ID 2DD4A STANDARD; PRT; 126 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase alpha subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 10 10 TRP A 123 123 LYS B Protein S 12 FT #SUB 12 12 ARG A 82 82 ARG B Protein A 4 FT #SUB 12 12 ARG A 83 83 GLY B Protein A 7 FT #SUB 12 12 ARG A 125 125 PHE B Protein S 3 FT #SUB 47 47 ASP A 41 41 ARG B Protein S 6 FT #SUB 50 50 ASP A 46 46 VAL B Protein B 1 FT #SUB 51 51 LEU A 44 44 THR B Protein S 1 FT #SUB 53 53 TYR A 48 48 HIS B Protein S 1 FT #SUB 53 53 TYR A 88 88 GLU B Protein S 5 FT #SUB 53 53 TYR A 91 91 ARG B Protein S 1 FT #SUB 53 53 TYR A 92 92 ARG B Protein S 8 FT #SUB 53 53 TYR A 96 96 CYS B Protein S 2 FT #SUB 54 54 THR A 46 46 VAL B Protein S 1 FT #SUB 54 54 THR A 48 48 HIS B Protein B 2 FT #SUB 55 55 ARG A 48 48 HIS B Protein S 1 FT #SUB 55 55 ARG A 88 88 GLU B Protein S 6 FT #SUB 55 55 ARG A 91 91 ARG B Protein S 3 FT #SUB 57 57 MET A 49 49 ASP B Protein A 6 FT #SUB 58 58 THR A 49 49 ASP B Protein A 7 FT #SUB 59 59 TYR A 51 51 GLY B Protein S 3 FT #SUB 77 77 ALA A 88 88 GLU B Protein S 2 FT #SUB 80 80 GLU A 86 86 THR B Protein B 1 FT #SUB 80 80 GLU A 88 88 GLU B Protein S 2 FT #SUB 80 80 GLU A 89 89 GLU B Protein B 1 FT #SUB 81 81 ALA A 88 88 GLU B Protein A 5 FT #SUB 81 81 ALA A 89 89 GLU B Protein B 6 FT #SUB 81 81 ALA A 92 92 ARG B Protein A 4 FT #SUB 82 82 PHE A 92 92 ARG B Protein S 11 FT #SUB 83 83 GLY A 89 89 GLU B Protein B 1 FT #SUB 85 85 GLU A 86 86 THR B Protein S 1 FT #SUB 102 102 TRP A 52 52 GLY B Protein S 2 FT #SUB 12 12 ARG A 42 42 GLY C Protein S 1 FT #SUB 15 15 HIS A 104 104 PHE C Protein S 2 FT #SUB 19 19 ALA A 104 104 PHE C Protein A 4 FT #SUB 20 20 THR A 103 103 GLN C Protein B 2 FT #SUB 20 20 THR A 104 104 PHE C Protein A 3 FT #SUB 21 21 GLY A 103 103 GLN C Protein B 3 FT #SUB 22 22 ILE A 97 97 VAL C Protein B 2 FT #SUB 23 23 GLY A 97 97 VAL C Protein B 1 FT #SUB 23 23 GLY A 104 104 PHE C Protein B 1 FT #SUB 23 23 GLY A 111 111 CYS C Protein B 1 FT #SUB 24 24 ASP A 104 104 PHE C Protein B 1 FT #SUB 24 24 ASP A 110 110 TYR C Protein A 6 FT #SUB 24 24 ASP A 111 111 CYS C Protein B 6 FT #SUB 24 24 ASP A 184 184 LYS C Protein S 5 FT #SUB 26 26 GLN A 111 111 CYS C Protein S 7 FT #SUB 28 28 PHE A 184 184 LYS C Protein S 1 FT #SUB 55 55 ARG A 130 130 LEU C Protein A 8 FT #SUB 55 55 ARG A 131 131 CYS C Protein S 1 FT #SUB 55 55 ARG A 182 182 ASN C Protein A 10 FT #SUB 55 55 ARG A 183 183 GLN C Protein A 5 FT #SUB 57 57 MET A 129 129 THR C Protein S 1 FT #SUB 57 57 MET A 180 180 ASP C Protein S 1 FT #SUB 57 57 MET A 182 182 ASN C Protein S 5 FT #SUB 59 59 TYR A 156 156 VAL C Protein S 1 FT #SUB 59 59 TYR A 180 180 ASP C Protein S 5 FT #SUB 69 69 ARG A 82 82 ILE C Protein S 1 FT #SUB 69 69 ARG A 83 83 GLU C Protein S 9 FT #SUB 69 69 ARG A 114 114 ARG C Protein S 2 FT #SUB 71 71 VAL A 112 112 ASN C Protein B 1 FT #SUB 72 72 TYR A 112 112 ASN C Protein S 3 FT #SUB 72 72 TYR A 183 183 GLN C Protein S 2 FT #SUB 72 72 TYR A 184 184 LYS C Protein S 5 FT #SUB 72 72 TYR A 185 185 THR C Protein S 2 FT #SUB 74 74 SER A 184 184 LYS C Protein S 4 FT #SUB 80 80 GLU A 184 184 LYS C Protein S 6 FT #SUB 91 91 PHE A 183 183 GLN C Protein S 5 FT #SUB 93 93 SER A 114 114 ARG C Protein S 1 FT #SUB 95 95 VAL A 177 177 ARG C Protein S 4 FT #SUB 98 98 GLN A 156 156 VAL C Protein S 3 FT #SUB 98 98 GLN A 159 159 PRO C Protein S 2 FT #SUB 102 102 TRP A 156 156 VAL C Protein S 6 FT #SUB 102 102 TRP A 157 157 ARG C Protein S 17 FT #SUB 104 104 GLU A 157 157 ARG C Protein S 10 FT #SUB 104 104 GLU A 158 158 TRP C Protein S 1 FT #SUB 105 105 TYR A 157 157 ARG C Protein S 2 FT #SUB 105 105 TYR A 159 159 PRO C Protein S 1 FT #SUB 108 108 THR A 172 172 SER C Protein A 5 FT #SUB 109 109 PHE A 160 160 ARG C Protein S 10 FT #SUB 109 109 PHE A 172 172 SER C Protein A 5 FT #SUB 111 111 ASN A 173 173 GLU C Protein S 4 FT #SUB 111 111 ASN A 175 175 GLN C Protein B 5 FT #SUB 112 112 ASP A 160 160 ARG C Protein S 10 FT #SUB 112 112 ASP A 174 174 VAL C Protein S 1 FT #SUB 112 112 ASP A 175 175 GLN C Protein S 1 FT #SUB 112 112 ASP A 176 176 ILE C Protein A 11 FT #SUB 113 113 THR A 175 175 GLN C Protein S 5 FT #SUB 113 113 THR A 176 176 ILE C Protein B 2 FT #SUB 113 113 THR A 177 177 ARG C Protein A 9 FT #SUB 113 113 THR A 178 178 VAL C Protein B 1 FT #SUB 114 114 LEU A 156 156 VAL C Protein S 3 FT #SUB 114 114 LEU A 178 178 VAL C Protein A 4 FT #SUB 115 115 GLU A 114 114 ARG C Protein S 3 FT #SUB 115 115 GLU A 177 177 ARG C Protein S 6 FT #SUB 115 115 GLU A 178 178 VAL C Protein B 4 FT #SUB 115 115 GLU A 179 179 ALA C Protein B 2 FT #SUB 115 115 GLU A 180 180 ASP C Protein B 3 FT #SUB 116 116 THR A 180 180 ASP C Protein A 6 FT #SUB 116 116 THR A 182 182 ASN C Protein S 5 FT #SUB 117 117 GLU A 182 182 ASN C Protein A 9 FT #SUB 117 117 GLU A 183 183 GLN C Protein A 6 FT #SUB 117 117 GLU A 185 185 THR C Protein S 8 FT #SUB 119 119 PRO A 183 183 GLN C Protein S 1 FT #SUB 47 47 ASP A 5 5 ILE E Protein S 1 FT #SUB 58 58 THR A 9 9 VAL E Protein B 2 FT #SUB 58 58 THR A 12 12 HIS E Protein S 1 FT #SUB 59 59 TYR A 6 6 ARG E Protein B 4 FT #SUB 60 60 THR A 6 6 ARG E Protein B 3 FT #SUB 61 61 ARG A 5 5 ILE E Protein B 2 FT #SUB 61 61 ARG A 6 6 ARG E Protein B 5 FT #SUB 61 61 ARG A 9 9 VAL E Protein A 2 FT #SUB 62 62 GLY A 5 5 ILE E Protein B 2 FT #SUB 62 62 GLY A 6 6 ARG E Protein B 1 FT #SUB 63 63 ALA A 6 6 ARG E Protein S 1 FT #SUB 100 100 ASP A 6 6 ARG E Protein B 1 FT #SUB 101 101 LEU A 6 6 ARG E Protein B 4 FT #SUB 101 101 LEU A 10 10 HIS E Protein B 2 FT #SUB 103 103 PRO A 10 10 HIS E Protein S 5 FT #SUB 104 104 GLU A 59 59 GLU E Protein A 6 FT #SUB 106 106 SER A 167 167 GLY F Protein S 3 FT #SUB 108 108 THR A 167 167 GLY F Protein S 5 FT #SUB 109 109 PHE A 164 164 ALA F Protein S 1 FT #SUB 109 109 PHE A 169 169 GLN F Protein S 2 FT #SUB 9 9 VAL A 8 8 PRO J Protein A 4 FT #SUB 10 10 TRP A 8 8 PRO J Protein S 6 FT #SUB 83 83 GLY A 7 7 LYS J Protein B 1 FT #SUB 84 84 ASN A 7 7 LYS J Protein A 5 FT #SUB 86 86 GLU A 7 7 LYS J Protein S 5 FT #SUB 49 49 PRO A 132 132 HIS K Protein A 9 FT #SUB 49 49 PRO A 135 135 ILE K Protein S 2 FT #SUB 49 49 PRO A 136 136 VAL K Protein S 2 FT #SUB 49 49 PRO A 139 139 ARG K Protein S 1 FT #SUB 50 50 ASP A 132 132 HIS K Protein B 2 FT #SUB 51 51 LEU A 114 114 LEU K Protein S 1 FT #SUB 51 51 LEU A 128 128 LEU K Protein B 2 FT #SUB 51 51 LEU A 132 132 HIS K Protein B 5 FT #SUB 52 52 PHE A 114 114 LEU K Protein S 1 FT #SUB 52 52 PHE A 117 117 ALA K Protein S 2 FT #SUB 52 52 PHE A 118 118 ARG K Protein S 8 FT #SUB 52 52 PHE A 128 128 LEU K Protein S 2 FT #SUB 52 52 PHE A 131 131 LEU K Protein S 2 FT #SUB 53 53 TYR A 128 128 LEU K Protein A 3 FT #SUB 53 53 TYR A 132 132 HIS K Protein B 1 FT #SUB 78 78 GLU A 128 128 LEU K Protein B 2 FT #SUB 79 79 ASP A 127 127 THR K Protein S 1 FT #SUB 79 79 ASP A 129 129 THR K Protein S 5 FT #SUB 82 82 PHE A 118 118 ARG K Protein S 1 FT #SUB 82 82 PHE A 121 121 VAL K Protein S 3 FT #SUB 82 82 PHE A 122 122 ASP K Protein S 2 FT #SUB 82 82 PHE A 124 124 GLN K Protein B 3 FT #SUB 82 82 PHE A 128 128 LEU K Protein S 1 FT #SUB 83 83 GLY A 124 124 GLN K Protein B 3 FT #SUB 84 84 ASN A 124 124 GLN K Protein S 4 FT #SUB 84 84 ASN A 127 127 THR K Protein S 4 FT #SUB 121 121 ARG A 129 129 THR K Protein S 6 FT #HET 52 52 PHE A 14 3005 FRU K S 2 FT #HET 68 68 VAL A 5 3501 TLA C S 3 FT DISORDER 1 8 CC SEQUENCE 118 AA (ATOM); CC VWDRTHHAKM ATGIGDPQCF KGMAGKSKFN VGDRVRIKDL PDLFYTRTMT YTRGATGTIV CC RLVYESPAAE DEAFGNEENV EWFYSIVFAQ KDLWPEYSDT FANDTLETEI PERYLEKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSDSHHKPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ATOM --------VWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ****************************************** CC SEQRES LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ATOM LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ************************************************** CC SEQRES LWPEYSDTFANDTLETEIPERYLEKA CC ATOM LWPEYSDTFANDTLETEIPERYLEKA CC ************************** SQ SEQUENCE 126 AA; MW; CN; MSDSHHKPVW DRTHHAKMAT GIGDPQCFKG MAGKSKFNVG DRVRIKDLPD LFYTRTMTYT RGATGTIVRL VYESPAAEDE AFGNEENVEW FYSIVFAQKD LWPEYSDTFA NDTLETEIPE RYLEKA // ID 2DD4B STANDARD; PRT; 157 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase beta subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 41 41 ARG B 47 47 ASP A Protein S 6 FT #SUB 44 44 THR B 51 51 LEU A Protein S 1 FT #SUB 46 46 VAL B 50 50 ASP A Protein S 1 FT #SUB 46 46 VAL B 54 54 THR A Protein S 1 FT #SUB 48 48 HIS B 53 53 TYR A Protein S 1 FT #SUB 48 48 HIS B 54 54 THR A Protein S 2 FT #SUB 48 48 HIS B 55 55 ARG A Protein S 1 FT #SUB 49 49 ASP B 57 57 MET A Protein S 6 FT #SUB 49 49 ASP B 58 58 THR A Protein S 7 FT #SUB 51 51 GLY B 59 59 TYR A Protein B 3 FT #SUB 52 52 GLY B 102 102 TRP A Protein B 2 FT #SUB 82 82 ARG B 12 12 ARG A Protein B 4 FT #SUB 83 83 GLY B 12 12 ARG A Protein B 7 FT #SUB 86 86 THR B 80 80 GLU A Protein S 1 FT #SUB 86 86 THR B 85 85 GLU A Protein S 1 FT #SUB 88 88 GLU B 53 53 TYR A Protein S 5 FT #SUB 88 88 GLU B 55 55 ARG A Protein S 6 FT #SUB 88 88 GLU B 77 77 ALA A Protein S 2 FT #SUB 88 88 GLU B 80 80 GLU A Protein S 2 FT #SUB 88 88 GLU B 81 81 ALA A Protein A 5 FT #SUB 89 89 GLU B 80 80 GLU A Protein S 1 FT #SUB 89 89 GLU B 81 81 ALA A Protein A 6 FT #SUB 89 89 GLU B 83 83 GLY A Protein S 1 FT #SUB 91 91 ARG B 53 53 TYR A Protein S 1 FT #SUB 91 91 ARG B 55 55 ARG A Protein S 3 FT #SUB 92 92 ARG B 53 53 TYR A Protein A 8 FT #SUB 92 92 ARG B 81 81 ALA A Protein S 4 FT #SUB 92 92 ARG B 82 82 PHE A Protein S 11 FT #SUB 96 96 CYS B 53 53 TYR A Protein S 2 FT #SUB 123 123 LYS B 10 10 TRP A Protein A 12 FT #SUB 125 125 PHE B 12 12 ARG A Protein S 3 FT #SUB 48 48 HIS B 129 129 THR C Protein B 2 FT #SUB 48 48 HIS B 130 130 LEU C Protein A 12 FT #SUB 48 48 HIS B 152 152 ARG C Protein B 2 FT #SUB 49 49 ASP B 130 130 LEU C Protein B 1 FT #SUB 50 50 VAL B 129 129 THR C Protein S 1 FT #SUB 50 50 VAL B 152 152 ARG C Protein S 1 FT #SUB 50 50 VAL B 153 153 ARG C Protein A 5 FT #SUB 51 51 GLY B 152 152 ARG C Protein B 1 FT #SUB 52 52 GLY B 153 153 ARG C Protein B 2 FT #SUB 52 52 GLY B 156 156 VAL C Protein B 1 FT #SUB 52 52 GLY B 157 157 ARG C Protein B 4 FT #SUB 53 53 GLU B 153 153 ARG C Protein A 11 FT #SUB 53 53 GLU B 158 158 TRP C Protein B 1 FT #SUB 54 54 ALA B 158 158 TRP C Protein B 1 FT #SUB 55 55 ASP B 150 150 ASN C Protein S 6 FT #SUB 55 55 ASP B 153 153 ARG C Protein S 5 FT #SUB 55 55 ASP B 154 154 ARG C Protein A 3 FT #SUB 56 56 VAL B 150 150 ASN C Protein B 4 FT #SUB 56 56 VAL B 154 154 ARG C Protein B 5 FT #SUB 57 57 PRO B 154 154 ARG C Protein A 6 FT #SUB 57 57 PRO B 165 165 GLU C Protein S 3 FT #SUB 58 58 ILE B 150 150 ASN C Protein S 7 FT #SUB 59 59 GLU B 231 231 PRO C Protein S 4 FT #SUB 60 60 TYR B 145 145 TRP C Protein S 4 FT #SUB 60 60 TYR B 148 148 SER C Protein S 1 FT #SUB 60 60 TYR B 150 150 ASN C Protein S 5 FT #SUB 60 60 TYR B 151 151 TYR C Protein S 3 FT #SUB 60 60 TYR B 154 154 ARG C Protein S 2 FT #SUB 60 60 TYR B 166 166 PHE C Protein S 4 FT #SUB 60 60 TYR B 230 230 ARG C Protein B 2 FT #SUB 60 60 TYR B 231 231 PRO C Protein B 1 FT #SUB 61 61 HIS B 144 144 GLU C Protein A 3 FT #SUB 61 61 HIS B 145 145 TRP C Protein B 3 FT #SUB 61 61 HIS B 231 231 PRO C Protein A 4 FT #SUB 61 61 HIS B 233 233 LEU C Protein S 2 FT #SUB 62 62 GLU B 143 143 PRO C Protein S 1 FT #SUB 62 62 GLU B 145 145 TRP C Protein S 4 FT #SUB 62 62 GLU B 211 211 ARG C Protein S 8 FT #SUB 62 62 GLU B 230 230 ARG C Protein S 6 FT #SUB 62 62 GLU B 231 231 PRO C Protein B 3 FT #SUB 62 62 GLU B 232 232 VAL C Protein B 2 FT #SUB 62 62 GLU B 233 233 LEU C Protein B 4 FT #SUB 63 63 LYS B 144 144 GLU C Protein A 10 FT #SUB 63 63 LYS B 233 233 LEU C Protein A 6 FT #SUB 64 64 GLU B 233 233 LEU C Protein A 2 FT #SUB 64 64 GLU B 234 234 LYS C Protein S 5 FT #SUB 64 64 GLU B 235 235 ALA C Protein A 10 FT #SUB 64 64 GLU B 238 238 PRO C Protein S 1 FT #SUB 65 65 GLU B 141 141 GLN C Protein S 2 FT #SUB 65 65 GLU B 235 235 ALA C Protein B 1 FT #SUB 65 65 GLU B 238 238 PRO C Protein B 2 FT #SUB 65 65 GLU B 239 239 VAL C Protein A 5 FT #SUB 66 66 GLU B 235 235 ALA C Protein S 7 FT #SUB 66 66 GLU B 236 236 ASN C Protein S 9 FT #SUB 66 66 GLU B 237 237 ARG C Protein A 9 FT #SUB 66 66 GLU B 239 239 VAL C Protein B 1 FT #SUB 67 67 ILE B 237 237 ARG C Protein A 4 FT #SUB 67 67 ILE B 238 238 PRO C Protein S 4 FT #SUB 67 67 ILE B 239 239 VAL C Protein S 3 FT #SUB 68 68 TRP B 27 27 PHE C Protein S 11 FT #SUB 68 68 TRP B 28 28 GLU C Protein S 1 FT #SUB 68 68 TRP B 31 31 GLU C Protein B 1 FT #SUB 70 70 LEU B 53 53 LYS C Protein S 1 FT #SUB 71 71 ASN B 31 31 GLU C Protein S 5 FT #SUB 71 71 ASN B 35 35 ARG C Protein S 2 FT #SUB 71 71 ASN B 49 49 HIS C Protein A 5 FT #SUB 71 71 ASN B 53 53 LYS C Protein S 4 FT #SUB 72 72 THR B 31 31 GLU C Protein S 1 FT #SUB 73 73 PHE B 52 52 TRP C Protein S 1 FT #SUB 73 73 PHE B 56 56 VAL C Protein S 2 FT #SUB 73 73 PHE B 136 136 ARG C Protein S 6 FT #SUB 73 73 PHE B 141 141 GLN C Protein S 1 FT #SUB 74 74 ALA B 49 49 HIS C Protein S 3 FT #SUB 74 74 ALA B 52 52 TRP C Protein B 1 FT #SUB 74 74 ALA B 53 53 LYS C Protein S 1 FT #SUB 75 75 THR B 44 44 PHE C Protein A 2 FT #SUB 75 75 THR B 49 49 HIS C Protein A 5 FT #SUB 77 77 GLU B 52 52 TRP C Protein S 8 FT #SUB 77 77 GLU B 106 106 THR C Protein S 1 FT #SUB 77 77 GLU B 107 107 PRO C Protein A 8 FT #SUB 77 77 GLU B 108 108 SER C Protein S 9 FT #SUB 78 78 CYS B 44 44 PHE C Protein S 2 FT #SUB 78 78 CYS B 48 48 ASP C Protein S 3 FT #SUB 78 78 CYS B 49 49 HIS C Protein S 2 FT #SUB 78 78 CYS B 52 52 TRP C Protein S 1 FT #SUB 79 79 LEU B 44 44 PHE C Protein S 4 FT #SUB 80 80 ALA B 107 107 PRO C Protein S 2 FT #SUB 81 81 TRP B 48 48 ASP C Protein S 6 FT #SUB 81 81 TRP B 52 52 TRP C Protein S 1 FT #SUB 81 81 TRP B 101 101 PRO C Protein S 4 FT #SUB 81 81 TRP B 102 102 THR C Protein S 4 FT #SUB 81 81 TRP B 104 104 PHE C Protein B 1 FT #SUB 81 81 TRP B 107 107 PRO C Protein B 1 FT #SUB 82 82 ARG B 43 43 LEU C Protein S 2 FT #SUB 82 82 ARG B 44 44 PHE C Protein S 1 FT #SUB 82 82 ARG B 48 48 ASP C Protein S 9 FT #SUB 84 84 VAL B 43 43 LEU C Protein S 1 FT #SUB 87 87 ALA B 107 107 PRO C Protein S 2 FT #SUB 87 87 ALA B 108 108 SER C Protein S 3 FT #SUB 87 87 ALA B 110 110 TYR C Protein S 1 FT #SUB 88 88 GLU B 110 110 TYR C Protein A 2 FT #SUB 90 90 ARG B 108 108 SER C Protein S 4 FT #SUB 91 91 ARG B 108 108 SER C Protein S 4 FT #SUB 91 91 ARG B 110 110 TYR C Protein S 6 FT #SUB 91 91 ARG B 131 131 CYS C Protein S 1 FT #SUB 91 91 ARG B 133 133 CYS C Protein S 1 FT #SUB 91 91 ARG B 186 186 ARG C Protein S 1 FT #SUB 95 95 ASN B 131 131 CYS C Protein S 1 FT #SUB 103 103 TYR B 152 152 ARG C Protein S 4 FT #SUB 104 104 LEU B 149 149 PRO C Protein S 1 FT #SUB 104 104 LEU B 153 153 ARG C Protein S 1 FT #SUB 106 106 MET B 27 27 PHE C Protein S 2 FT #SUB 107 107 PRO B 27 27 PHE C Protein S 2 FT #SUB 108 108 TYR B 132 132 SER C Protein S 4 FT #SUB 108 108 TYR B 147 147 ARG C Protein S 10 FT #SUB 109 109 TYR B 141 141 GLN C Protein S 1 FT #SUB 109 109 TYR B 147 147 ARG C Protein S 1 FT #SUB 110 110 GLY B 27 27 PHE C Protein B 1 FT #SUB 112 112 TRP B 136 136 ARG C Protein S 1 FT #SUB 113 113 LEU B 27 27 PHE C Protein S 1 FT #SUB 113 113 LEU B 30 30 LEU C Protein S 5 FT #SUB 113 113 LEU B 31 31 GLU C Protein S 4 FT #SUB 114 114 LEU B 30 30 LEU C Protein S 1 FT #SUB 116 116 ALA B 34 34 VAL C Protein S 1 FT #SUB 117 117 ALA B 34 34 VAL C Protein A 2 FT #SUB 120 120 LEU B 43 43 LEU C Protein S 1 FT #SUB 125 125 PHE B 41 41 LYS C Protein B 3 FT #SUB 125 125 PHE B 43 43 LEU C Protein S 3 FT #SUB 126 126 VAL B 41 41 LYS C Protein S 1 FT #SUB 130 130 GLU B 41 41 LYS C Protein S 6 FT #SUB 131 131 LEU B 37 37 LEU C Protein A 2 FT #SUB 134 134 LYS B 33 33 ALA C Protein S 4 FT #SUB 134 134 LYS B 36 36 GLU C Protein S 3 FT #SUB 134 134 LYS B 37 37 LEU C Protein S 5 FT #SUB 134 134 LYS B 40 40 GLU C Protein S 4 FT #SUB 135 135 ILE B 30 30 LEU C Protein S 1 FT #SUB 135 135 ILE B 33 33 ALA C Protein S 1 FT #SUB 138 138 MET B 29 29 ILE C Protein S 2 FT #SUB 138 138 MET B 32 32 MET C Protein S 5 FT #SUB 138 138 MET B 33 33 ALA C Protein S 2 FT #SUB 138 138 MET B 36 36 GLU C Protein S 3 FT #SUB 141 141 ARG B 32 32 MET C Protein S 1 FT #SUB 141 141 ARG B 36 36 GLU C Protein S 6 FT #SUB 142 142 VAL B 24 24 VAL C Protein S 2 FT #SUB 142 142 VAL B 29 29 ILE C Protein S 1 FT #SUB 148 148 LEU B 24 24 VAL C Protein S 1 FT #SUB 148 148 LEU B 29 29 ILE C Protein S 1 FT #SUB 148 148 LEU B 32 32 MET C Protein S 3 FT #SUB 149 149 GLY B 32 32 MET C Protein B 2 FT #SUB 150 150 GLU B 53 53 LYS C Protein S 1 FT #SUB 151 151 TYR B 28 28 GLU C Protein S 4 FT #SUB 151 151 TYR B 31 31 GLU C Protein S 6 FT #SUB 151 151 TYR B 32 32 MET C Protein S 3 FT #SUB 151 151 TYR B 237 237 ARG C Protein B 7 FT #SUB 152 152 LEU B 24 24 VAL C Protein S 1 FT #SUB 5 5 ILE B 61 61 ARG D Protein S 2 FT #SUB 5 5 ILE B 62 62 GLY D Protein S 2 FT #SUB 6 6 ARG B 59 59 TYR D Protein S 4 FT #SUB 6 6 ARG B 60 60 THR D Protein S 3 FT #SUB 6 6 ARG B 61 61 ARG D Protein S 6 FT #SUB 6 6 ARG B 62 62 GLY D Protein S 1 FT #SUB 6 6 ARG B 63 63 ALA D Protein S 1 FT #SUB 6 6 ARG B 100 100 ASP D Protein S 1 FT #SUB 6 6 ARG B 101 101 LEU D Protein S 4 FT #SUB 9 9 VAL B 58 58 THR D Protein S 3 FT #SUB 9 9 VAL B 61 61 ARG D Protein S 2 FT #SUB 10 10 HIS B 101 101 LEU D Protein S 2 FT #SUB 10 10 HIS B 103 103 PRO D Protein S 5 FT #SUB 12 12 HIS B 58 58 THR D Protein S 1 FT #SUB 59 59 GLU B 103 103 PRO D Protein S 1 FT #SUB 59 59 GLU B 104 104 GLU D Protein S 7 FT #SUB 8 8 GLU B 37 37 HIS E Protein S 6 FT #SUB 8 8 GLU B 41 41 ARG E Protein S 5 FT #SUB 11 11 ARG B 38 38 THR E Protein S 3 FT #SUB 12 12 HIS B 41 41 ARG E Protein S 6 FT #SUB 12 12 HIS B 42 42 ALA E Protein S 2 FT #SUB 12 12 HIS B 45 45 ARG E Protein S 1 FT #SUB 13 13 LEU B 51 51 GLY E Protein S 1 FT #SUB 15 15 THR B 38 38 THR E Protein S 1 FT #SUB 15 15 THR B 42 42 ALA E Protein S 1 FT #SUB 16 16 VAL B 45 45 ARG E Protein S 5 FT #SUB 16 16 VAL B 53 53 GLU E Protein S 3 FT #SUB 19 19 MET B 39 39 LEU E Protein S 1 FT #SUB 19 19 MET B 42 42 ALA E Protein S 4 FT #SUB 19 19 MET B 43 43 TYR E Protein S 7 FT #SUB 19 19 MET B 100 100 GLN E Protein B 1 FT #SUB 20 20 GLN B 104 104 LEU E Protein S 2 FT #SUB 21 21 PRO B 100 100 GLN E Protein S 3 FT #SUB 21 21 PRO B 101 101 THR E Protein S 1 FT #SUB 21 21 PRO B 104 104 LEU E Protein S 2 FT #SUB 24 24 HIS B 24 24 HIS E Protein S 18 FT #SUB 26 26 GLN B 26 26 GLN E Protein S 1 FT #SUB 37 37 HIS B 8 8 GLU E Protein S 5 FT #SUB 38 38 THR B 11 11 ARG E Protein S 1 FT #SUB 38 38 THR B 15 15 THR E Protein S 3 FT #SUB 41 41 ARG B 8 8 GLU E Protein S 5 FT #SUB 41 41 ARG B 12 12 HIS E Protein A 6 FT #SUB 42 42 ALA B 12 12 HIS E Protein B 1 FT #SUB 42 42 ALA B 15 15 THR E Protein S 1 FT #SUB 42 42 ALA B 19 19 MET E Protein A 4 FT #SUB 43 43 TYR B 19 19 MET E Protein A 8 FT #SUB 45 45 ARG B 12 12 HIS E Protein S 1 FT #SUB 45 45 ARG B 16 16 VAL E Protein S 5 FT #SUB 51 51 GLY B 13 13 LEU E Protein B 1 FT #SUB 53 53 GLU B 16 16 VAL E Protein S 3 FT #SUB 54 54 ALA B 56 56 VAL E Protein A 2 FT #SUB 55 55 ASP B 56 56 VAL E Protein B 6 FT #SUB 55 55 ASP B 57 57 PRO E Protein B 1 FT #SUB 56 56 VAL B 54 54 ALA E Protein S 2 FT #SUB 56 56 VAL B 55 55 ASP E Protein A 8 FT #SUB 56 56 VAL B 56 56 VAL E Protein A 3 FT #SUB 57 57 PRO B 55 55 ASP E Protein S 1 FT #SUB 100 100 GLN B 19 19 MET E Protein S 1 FT #SUB 100 100 GLN B 21 21 PRO E Protein A 3 FT #SUB 101 101 THR B 21 21 PRO E Protein B 1 FT #SUB 104 104 LEU B 20 20 GLN E Protein S 2 FT #SUB 104 104 LEU B 21 21 PRO E Protein S 1 FT #SUB 13 13 LEU B 157 157 ARG F Protein S 1 FT #SUB 20 20 GLN B 153 153 ARG F Protein S 3 FT #SUB 57 57 PRO B 158 158 TRP F Protein S 6 FT #SUB 20 20 GLN B 26 26 GLN H Protein S 1 FT #SUB 20 20 GLN B 27 27 THR H Protein S 3 FT #SUB 20 20 GLN B 28 28 HIS H Protein S 8 FT #SUB 21 21 PRO B 26 26 GLN H Protein B 2 FT #SUB 21 21 PRO B 27 27 THR H Protein A 5 FT #SUB 22 22 ALA B 24 24 HIS H Protein S 3 FT #SUB 22 22 ALA B 25 25 GLN H Protein A 4 FT #SUB 22 22 ALA B 26 26 GLN H Protein A 3 FT #SUB 22 22 ALA B 27 27 THR H Protein B 1 FT #SUB 23 23 LEU B 23 23 LEU H Protein B 1 FT #SUB 23 23 LEU B 25 25 GLN H Protein B 7 FT #SUB 23 23 LEU B 27 27 THR H Protein S 1 FT #SUB 23 23 LEU B 43 43 TYR H Protein S 2 FT #SUB 24 24 HIS B 22 22 ALA H Protein S 3 FT #SUB 24 24 HIS B 23 23 LEU H Protein B 2 FT #SUB 24 24 HIS B 24 24 HIS H Protein S 7 FT #SUB 25 25 GLN B 22 22 ALA H Protein B 4 FT #SUB 25 25 GLN B 23 23 LEU H Protein A 9 FT #SUB 26 26 GLN B 20 20 GLN H Protein S 1 FT #SUB 26 26 GLN B 21 21 PRO H Protein B 2 FT #SUB 26 26 GLN B 22 22 ALA H Protein B 2 FT #SUB 27 27 THR B 20 20 GLN H Protein B 3 FT #SUB 27 27 THR B 21 21 PRO H Protein A 5 FT #SUB 27 27 THR B 22 22 ALA H Protein S 1 FT #SUB 27 27 THR B 23 23 LEU H Protein S 1 FT #SUB 28 28 HIS B 20 20 GLN H Protein S 6 FT #SUB 43 43 TYR B 23 23 LEU H Protein S 2 FT #SUB 114 114 LEU B 51 51 LEU J Protein S 1 FT #SUB 114 114 LEU B 52 52 PHE J Protein B 1 FT #SUB 117 117 ALA B 52 52 PHE J Protein A 3 FT #SUB 118 118 ARG B 52 52 PHE J Protein A 10 FT #SUB 118 118 ARG B 82 82 PHE J Protein S 1 FT #SUB 121 121 VAL B 82 82 PHE J Protein S 3 FT #SUB 122 122 ASP B 82 82 PHE J Protein S 1 FT #SUB 124 124 GLN B 82 82 PHE J Protein S 3 FT #SUB 124 124 GLN B 83 83 GLY J Protein S 3 FT #SUB 124 124 GLN B 84 84 ASN J Protein S 4 FT #SUB 127 127 THR B 79 79 ASP J Protein S 1 FT #SUB 127 127 THR B 84 84 ASN J Protein A 3 FT #SUB 128 128 LEU B 51 51 LEU J Protein S 2 FT #SUB 128 128 LEU B 52 52 PHE J Protein S 1 FT #SUB 128 128 LEU B 53 53 TYR J Protein S 3 FT #SUB 128 128 LEU B 78 78 GLU J Protein S 2 FT #SUB 128 128 LEU B 82 82 PHE J Protein S 1 FT #SUB 129 129 THR B 79 79 ASP J Protein A 5 FT #SUB 129 129 THR B 121 121 ARG J Protein S 7 FT #SUB 131 131 LEU B 52 52 PHE J Protein S 2 FT #SUB 132 132 HIS B 49 49 PRO J Protein A 7 FT #SUB 132 132 HIS B 50 50 ASP J Protein S 1 FT #SUB 132 132 HIS B 51 51 LEU J Protein S 5 FT #SUB 132 132 HIS B 53 53 TYR J Protein S 1 FT #SUB 135 135 ILE B 49 49 PRO J Protein S 2 FT #SUB 136 136 VAL B 49 49 PRO J Protein S 2 FT #SUB 139 139 ARG B 49 49 PRO J Protein S 1 FT #SUB 18 18 LEU B 22 22 ALA K Protein B 1 FT #SUB 18 18 LEU B 23 23 LEU K Protein B 2 FT #SUB 18 18 LEU B 24 24 HIS K Protein A 8 FT #SUB 18 18 LEU B 25 25 GLN K Protein S 3 FT #SUB 22 22 ALA B 18 18 LEU K Protein B 1 FT #SUB 23 23 LEU B 18 18 LEU K Protein B 2 FT #SUB 24 24 HIS B 18 18 LEU K Protein A 9 FT #SUB 25 25 GLN B 18 18 LEU K Protein A 3 FT #SUB 27 27 THR B 104 104 LEU K Protein A 7 FT #SUB 27 27 THR B 105 105 GLY K Protein S 3 FT #SUB 28 28 HIS B 104 104 LEU K Protein B 3 FT #SUB 29 29 ALA B 104 104 LEU K Protein B 3 FT #SUB 29 29 ALA B 106 106 MET K Protein B 1 FT #SUB 30 30 PRO B 104 104 LEU K Protein S 1 FT #SUB 30 30 PRO B 105 105 GLY K Protein S 3 FT #SUB 30 30 PRO B 107 107 PRO K Protein B 4 FT #SUB 31 31 ALA B 63 63 LYS K Protein S 1 FT #SUB 31 31 ALA B 107 107 PRO K Protein B 1 FT #SUB 32 32 PRO B 68 68 TRP K Protein S 2 FT #SUB 32 32 PRO B 69 69 GLU K Protein S 1 FT #SUB 32 32 PRO B 107 107 PRO K Protein A 5 FT #SUB 33 33 THR B 66 66 GLU K Protein S 1 FT #SUB 35 35 ILE B 105 105 GLY K Protein S 1 FT #SUB 35 35 ILE B 107 107 PRO K Protein S 2 FT #SUB 40 40 PHE B 106 106 MET K Protein S 2 FT #SUB 43 43 TYR B 102 102 VAL K Protein B 1 FT #SUB 43 43 TYR B 105 105 GLY K Protein S 8 FT #SUB 43 43 TYR B 106 106 MET K Protein S 5 FT #SUB 44 44 THR B 114 114 LEU K Protein S 1 FT #SUB 63 63 LYS B 31 31 ALA K Protein S 1 FT #SUB 68 68 TRP B 32 32 PRO K Protein S 2 FT #SUB 69 69 GLU B 32 32 PRO K Protein S 1 FT #SUB 92 92 ARG B 118 118 ARG K Protein S 3 FT #SUB 92 92 ARG B 122 122 ASP K Protein S 1 FT #SUB 97 97 ASP B 97 97 ASP K Protein B 1 FT #SUB 97 97 ASP B 118 118 ARG K Protein S 9 FT #SUB 100 100 GLN B 101 101 THR K Protein S 3 FT #SUB 101 101 THR B 100 100 GLN K Protein S 3 FT #SUB 101 101 THR B 101 101 THR K Protein A 5 FT #SUB 102 102 VAL B 43 43 TYR K Protein S 1 FT #SUB 104 104 LEU B 27 27 THR K Protein A 7 FT #SUB 104 104 LEU B 28 28 HIS K Protein B 3 FT #SUB 104 104 LEU B 29 29 ALA K Protein B 3 FT #SUB 104 104 LEU B 30 30 PRO K Protein B 1 FT #SUB 105 105 GLY B 27 27 THR K Protein B 3 FT #SUB 105 105 GLY B 30 30 PRO K Protein B 3 FT #SUB 105 105 GLY B 35 35 ILE K Protein B 1 FT #SUB 105 105 GLY B 43 43 TYR K Protein B 7 FT #SUB 106 106 MET B 29 29 ALA K Protein B 1 FT #SUB 106 106 MET B 40 40 PHE K Protein S 2 FT #SUB 106 106 MET B 43 43 TYR K Protein S 5 FT #SUB 107 107 PRO B 30 30 PRO K Protein A 4 FT #SUB 107 107 PRO B 31 31 ALA K Protein S 2 FT #SUB 107 107 PRO B 32 32 PRO K Protein S 5 FT #SUB 107 107 PRO B 35 35 ILE K Protein S 2 FT #SUB 118 118 ARG B 92 92 ARG K Protein S 1 FT #SUB 118 118 ARG B 97 97 ASP K Protein S 8 FT #SUB 122 122 ASP B 92 92 ARG K Protein S 1 FT #SUB 28 28 HIS B 153 153 ARG L Protein S 2 FT #SUB 29 29 ALA B 149 149 PRO L Protein S 2 FT #SUB 31 31 ALA B 233 233 LEU L Protein S 1 FT #SUB 33 33 THR B 236 236 ASN L Protein S 1 FT #SUB 37 37 HIS B 26 26 ASP L Protein A 8 FT #SUB 40 40 PHE B 26 26 ASP L Protein S 11 FT #SUB 40 40 PHE B 27 27 PHE L Protein S 4 FT #HET 10 10 HIS B 1 3002 FRU B A 10 FT #HET 13 13 LEU B 1 3002 FRU B A 6 FT #HET 14 14 GLY B 1 3002 FRU B B 3 FT #HET 47 47 PRO B 14 3005 FRU K S 2 FT #HET 90 90 ARG B 4 3401 TLA C S 5 FT #HET 91 91 ARG B 4 3401 TLA C S 8 FT #HET 94 94 GLN B 4 3401 TLA C S 3 FT #HET 95 95 ASN B 4 3401 TLA C S 4 FT #HET 96 96 CYS B 14 3005 FRU K B 2 FT #HET 97 97 ASP B 2 3008 FRU B B 4 FT #HET 97 97 ASP B 14 3005 FRU K A 10 FT #HET 98 98 VAL B 2 3008 FRU B B 7 FT #HET 99 99 GLY B 14 3005 FRU K B 2 FT #HET 108 108 TYR B 4 3401 TLA C S 4 FT #HET 112 112 TRP B 4 3401 TLA C S 5 FT #HET 118 118 ARG B 2 3008 FRU B S 4 FT DISORDER 1 2 FT DISORDER 155 157 CC SEQUENCE 152 AA (ATOM); CC SSIREEVHRH LGTVALMQPA LHQQTHAPAP TEITHTLFRA YTRVPHDVGG EADVPIEYHE CC KEEEIWELNT FATCECLAWR GVWTAEERRR KQNCDVGQTV YLGMPYYGRW LLTAARILVD CC KQFVTLTELH NKIVEMRERV ASGQGLGEYL PP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ATOM --SSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ************************************************ CC SEQRES GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ATOM GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ************************************************** CC SEQRES TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ATOM TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ************************************************** CC SEQRES YLPPKAK CC ATOM YLPP--- CC **** SQ SEQUENCE 157 AA; MW; CN; MSSSIREEVH RHLGTVALMQ PALHQQTHAP APTEITHTLF RAYTRVPHDV GGEADVPIEY HEKEEEIWEL NTFATCECLA WRGVWTAEER RRKQNCDVGQ TVYLGMPYYG RWLLTAARIL VDKQFVTLTE LHNKIVEMRE RVASGQGLGE YLPPKAK // ID 2DD4C STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase gamma subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 42 42 GLY C 12 12 ARG A Protein B 1 FT #SUB 82 82 ILE C 69 69 ARG A Protein B 1 FT #SUB 83 83 GLU C 69 69 ARG A Protein A 9 FT #SUB 97 97 VAL C 22 22 ILE A Protein S 2 FT #SUB 97 97 VAL C 23 23 GLY A Protein S 1 FT #SUB 103 103 GLN C 20 20 THR A Protein B 2 FT #SUB 103 103 GLN C 21 21 GLY A Protein B 3 FT #SUB 104 104 PHE C 15 15 HIS A Protein S 2 FT #SUB 104 104 PHE C 19 19 ALA A Protein A 4 FT #SUB 104 104 PHE C 20 20 THR A Protein S 3 FT #SUB 104 104 PHE C 23 23 GLY A Protein B 1 FT #SUB 104 104 PHE C 24 24 ASP A Protein B 1 FT #SUB 110 110 TYR C 24 24 ASP A Protein A 6 FT #SUB 111 111 CYS C 23 23 GLY A Protein S 1 FT #SUB 111 111 CYS C 24 24 ASP A Protein A 6 FT #SUB 111 111 CYS C 26 26 GLN A Protein A 7 FT #SUB 112 112 ASN C 71 71 VAL A Protein S 1 FT #SUB 112 112 ASN C 72 72 TYR A Protein S 3 FT #SUB 114 114 ARG C 69 69 ARG A Protein S 2 FT #SUB 114 114 ARG C 93 93 SER A Protein S 1 FT #SUB 114 114 ARG C 115 115 GLU A Protein S 3 FT #SUB 129 129 THR C 57 57 MET A Protein S 1 FT #SUB 130 130 LEU C 55 55 ARG A Protein S 8 FT #SUB 131 131 CYS C 55 55 ARG A Protein S 1 FT #SUB 156 156 VAL C 59 59 TYR A Protein S 1 FT #SUB 156 156 VAL C 98 98 GLN A Protein B 3 FT #SUB 156 156 VAL C 102 102 TRP A Protein A 6 FT #SUB 156 156 VAL C 114 114 LEU A Protein A 3 FT #SUB 157 157 ARG C 102 102 TRP A Protein A 17 FT #SUB 157 157 ARG C 104 104 GLU A Protein S 10 FT #SUB 157 157 ARG C 105 105 TYR A Protein B 2 FT #SUB 158 158 TRP C 104 104 GLU A Protein S 1 FT #SUB 159 159 PRO C 98 98 GLN A Protein S 2 FT #SUB 159 159 PRO C 105 105 TYR A Protein S 1 FT #SUB 160 160 ARG C 109 109 PHE A Protein S 10 FT #SUB 160 160 ARG C 112 112 ASP A Protein S 10 FT #SUB 172 172 SER C 108 108 THR A Protein A 5 FT #SUB 172 172 SER C 109 109 PHE A Protein A 5 FT #SUB 173 173 GLU C 111 111 ASN A Protein B 4 FT #SUB 174 174 VAL C 112 112 ASP A Protein B 1 FT #SUB 175 175 GLN C 111 111 ASN A Protein A 5 FT #SUB 175 175 GLN C 112 112 ASP A Protein B 1 FT #SUB 175 175 GLN C 113 113 THR A Protein S 5 FT #SUB 176 176 ILE C 112 112 ASP A Protein A 11 FT #SUB 176 176 ILE C 113 113 THR A Protein B 2 FT #SUB 177 177 ARG C 95 95 VAL A Protein S 4 FT #SUB 177 177 ARG C 113 113 THR A Protein A 9 FT #SUB 177 177 ARG C 115 115 GLU A Protein S 6 FT #SUB 178 178 VAL C 113 113 THR A Protein B 1 FT #SUB 178 178 VAL C 114 114 LEU A Protein B 4 FT #SUB 178 178 VAL C 115 115 GLU A Protein B 4 FT #SUB 179 179 ALA C 115 115 GLU A Protein B 2 FT #SUB 180 180 ASP C 57 57 MET A Protein S 1 FT #SUB 180 180 ASP C 59 59 TYR A Protein S 5 FT #SUB 180 180 ASP C 115 115 GLU A Protein B 3 FT #SUB 180 180 ASP C 116 116 THR A Protein A 6 FT #SUB 182 182 ASN C 55 55 ARG A Protein A 10 FT #SUB 182 182 ASN C 57 57 MET A Protein S 5 FT #SUB 182 182 ASN C 116 116 THR A Protein S 5 FT #SUB 182 182 ASN C 117 117 GLU A Protein S 9 FT #SUB 183 183 GLN C 55 55 ARG A Protein S 5 FT #SUB 183 183 GLN C 72 72 TYR A Protein A 2 FT #SUB 183 183 GLN C 91 91 PHE A Protein S 5 FT #SUB 183 183 GLN C 117 117 GLU A Protein S 6 FT #SUB 183 183 GLN C 119 119 PRO A Protein S 1 FT #SUB 184 184 LYS C 24 24 ASP A Protein S 5 FT #SUB 184 184 LYS C 28 28 PHE A Protein S 1 FT #SUB 184 184 LYS C 72 72 TYR A Protein A 5 FT #SUB 184 184 LYS C 74 74 SER A Protein S 4 FT #SUB 184 184 LYS C 80 80 GLU A Protein S 6 FT #SUB 185 185 THR C 72 72 TYR A Protein A 2 FT #SUB 185 185 THR C 117 117 GLU A Protein A 8 FT #SUB 24 24 VAL C 142 142 VAL B Protein S 2 FT #SUB 24 24 VAL C 148 148 LEU B Protein S 1 FT #SUB 24 24 VAL C 152 152 LEU B Protein S 1 FT #SUB 27 27 PHE C 68 68 TRP B Protein S 11 FT #SUB 27 27 PHE C 106 106 MET B Protein S 2 FT #SUB 27 27 PHE C 107 107 PRO B Protein S 2 FT #SUB 27 27 PHE C 110 110 GLY B Protein S 1 FT #SUB 27 27 PHE C 113 113 LEU B Protein B 1 FT #SUB 28 28 GLU C 68 68 TRP B Protein S 1 FT #SUB 28 28 GLU C 151 151 TYR B Protein A 4 FT #SUB 29 29 ILE C 138 138 MET B Protein A 2 FT #SUB 29 29 ILE C 142 142 VAL B Protein S 1 FT #SUB 29 29 ILE C 148 148 LEU B Protein S 1 FT #SUB 30 30 LEU C 113 113 LEU B Protein S 5 FT #SUB 30 30 LEU C 114 114 LEU B Protein S 1 FT #SUB 30 30 LEU C 135 135 ILE B Protein S 1 FT #SUB 31 31 GLU C 68 68 TRP B Protein S 1 FT #SUB 31 31 GLU C 71 71 ASN B Protein S 5 FT #SUB 31 31 GLU C 72 72 THR B Protein S 1 FT #SUB 31 31 GLU C 113 113 LEU B Protein B 4 FT #SUB 31 31 GLU C 151 151 TYR B Protein S 6 FT #SUB 32 32 MET C 138 138 MET B Protein A 5 FT #SUB 32 32 MET C 141 141 ARG B Protein S 1 FT #SUB 32 32 MET C 148 148 LEU B Protein S 3 FT #SUB 32 32 MET C 149 149 GLY B Protein S 2 FT #SUB 32 32 MET C 151 151 TYR B Protein S 3 FT #SUB 33 33 ALA C 134 134 LYS B Protein A 4 FT #SUB 33 33 ALA C 135 135 ILE B Protein S 1 FT #SUB 33 33 ALA C 138 138 MET B Protein B 2 FT #SUB 34 34 VAL C 116 116 ALA B Protein S 1 FT #SUB 34 34 VAL C 117 117 ALA B Protein S 2 FT #SUB 35 35 ARG C 71 71 ASN B Protein S 2 FT #SUB 36 36 GLU C 134 134 LYS B Protein S 3 FT #SUB 36 36 GLU C 138 138 MET B Protein S 3 FT #SUB 36 36 GLU C 141 141 ARG B Protein S 6 FT #SUB 37 37 LEU C 131 131 LEU B Protein S 2 FT #SUB 37 37 LEU C 134 134 LYS B Protein S 5 FT #SUB 40 40 GLU C 134 134 LYS B Protein S 4 FT #SUB 41 41 LYS C 125 125 PHE B Protein S 3 FT #SUB 41 41 LYS C 126 126 VAL B Protein S 1 FT #SUB 41 41 LYS C 130 130 GLU B Protein S 6 FT #SUB 43 43 LEU C 82 82 ARG B Protein B 2 FT #SUB 43 43 LEU C 84 84 VAL B Protein S 1 FT #SUB 43 43 LEU C 120 120 LEU B Protein S 1 FT #SUB 43 43 LEU C 125 125 PHE B Protein S 3 FT #SUB 44 44 PHE C 75 75 THR B Protein S 2 FT #SUB 44 44 PHE C 78 78 CYS B Protein S 2 FT #SUB 44 44 PHE C 79 79 LEU B Protein S 4 FT #SUB 44 44 PHE C 82 82 ARG B Protein S 1 FT #SUB 48 48 ASP C 78 78 CYS B Protein A 3 FT #SUB 48 48 ASP C 81 81 TRP B Protein A 6 FT #SUB 48 48 ASP C 82 82 ARG B Protein S 9 FT #SUB 49 49 HIS C 71 71 ASN B Protein S 5 FT #SUB 49 49 HIS C 74 74 ALA B Protein S 3 FT #SUB 49 49 HIS C 75 75 THR B Protein S 5 FT #SUB 49 49 HIS C 78 78 CYS B Protein B 2 FT #SUB 52 52 TRP C 73 73 PHE B Protein S 1 FT #SUB 52 52 TRP C 74 74 ALA B Protein S 1 FT #SUB 52 52 TRP C 77 77 GLU B Protein S 8 FT #SUB 52 52 TRP C 78 78 CYS B Protein S 1 FT #SUB 52 52 TRP C 81 81 TRP B Protein S 1 FT #SUB 53 53 LYS C 70 70 LEU B Protein S 1 FT #SUB 53 53 LYS C 71 71 ASN B Protein S 4 FT #SUB 53 53 LYS C 74 74 ALA B Protein S 1 FT #SUB 53 53 LYS C 150 150 GLU B Protein S 1 FT #SUB 56 56 VAL C 73 73 PHE B Protein S 2 FT #SUB 101 101 PRO C 81 81 TRP B Protein A 4 FT #SUB 102 102 THR C 81 81 TRP B Protein A 4 FT #SUB 104 104 PHE C 81 81 TRP B Protein S 1 FT #SUB 106 106 THR C 77 77 GLU B Protein S 1 FT #SUB 107 107 PRO C 77 77 GLU B Protein A 8 FT #SUB 107 107 PRO C 80 80 ALA B Protein S 2 FT #SUB 107 107 PRO C 81 81 TRP B Protein S 1 FT #SUB 107 107 PRO C 87 87 ALA B Protein B 2 FT #SUB 108 108 SER C 77 77 GLU B Protein A 9 FT #SUB 108 108 SER C 87 87 ALA B Protein A 3 FT #SUB 108 108 SER C 90 90 ARG B Protein S 4 FT #SUB 108 108 SER C 91 91 ARG B Protein A 4 FT #SUB 110 110 TYR C 87 87 ALA B Protein S 1 FT #SUB 110 110 TYR C 88 88 GLU B Protein S 2 FT #SUB 110 110 TYR C 91 91 ARG B Protein S 6 FT #SUB 129 129 THR C 48 48 HIS B Protein B 2 FT #SUB 129 129 THR C 50 50 VAL B Protein B 1 FT #SUB 130 130 LEU C 48 48 HIS B Protein A 12 FT #SUB 130 130 LEU C 49 49 ASP B Protein S 1 FT #SUB 131 131 CYS C 91 91 ARG B Protein S 1 FT #SUB 131 131 CYS C 95 95 ASN B Protein S 1 FT #SUB 132 132 SER C 108 108 TYR B Protein S 4 FT #SUB 133 133 CYS C 91 91 ARG B Protein S 1 FT #SUB 136 136 ARG C 73 73 PHE B Protein S 6 FT #SUB 136 136 ARG C 112 112 TRP B Protein S 1 FT #SUB 141 141 GLN C 65 65 GLU B Protein S 2 FT #SUB 141 141 GLN C 73 73 PHE B Protein S 1 FT #SUB 141 141 GLN C 109 109 TYR B Protein S 1 FT #SUB 143 143 PRO C 62 62 GLU B Protein S 1 FT #SUB 144 144 GLU C 61 61 HIS B Protein S 3 FT #SUB 144 144 GLU C 63 63 LYS B Protein S 10 FT #SUB 145 145 TRP C 60 60 TYR B Protein S 4 FT #SUB 145 145 TRP C 61 61 HIS B Protein A 3 FT #SUB 145 145 TRP C 62 62 GLU B Protein S 4 FT #SUB 147 147 ARG C 108 108 TYR B Protein S 10 FT #SUB 147 147 ARG C 109 109 TYR B Protein S 1 FT #SUB 148 148 SER C 60 60 TYR B Protein S 1 FT #SUB 149 149 PRO C 104 104 LEU B Protein S 1 FT #SUB 150 150 ASN C 55 55 ASP B Protein A 6 FT #SUB 150 150 ASN C 56 56 VAL B Protein S 4 FT #SUB 150 150 ASN C 58 58 ILE B Protein S 7 FT #SUB 150 150 ASN C 60 60 TYR B Protein A 5 FT #SUB 151 151 TYR C 60 60 TYR B Protein A 3 FT #SUB 152 152 ARG C 48 48 HIS B Protein S 2 FT #SUB 152 152 ARG C 50 50 VAL B Protein S 1 FT #SUB 152 152 ARG C 51 51 GLY B Protein B 1 FT #SUB 152 152 ARG C 103 103 TYR B Protein S 4 FT #SUB 153 153 ARG C 50 50 VAL B Protein A 5 FT #SUB 153 153 ARG C 52 52 GLY B Protein B 2 FT #SUB 153 153 ARG C 53 53 GLU B Protein A 11 FT #SUB 153 153 ARG C 55 55 ASP B Protein S 5 FT #SUB 153 153 ARG C 104 104 LEU B Protein S 1 FT #SUB 154 154 ARG C 55 55 ASP B Protein S 3 FT #SUB 154 154 ARG C 56 56 VAL B Protein S 5 FT #SUB 154 154 ARG C 57 57 PRO B Protein S 6 FT #SUB 154 154 ARG C 60 60 TYR B Protein S 2 FT #SUB 156 156 VAL C 52 52 GLY B Protein S 1 FT #SUB 157 157 ARG C 52 52 GLY B Protein S 4 FT #SUB 158 158 TRP C 53 53 GLU B Protein S 1 FT #SUB 158 158 TRP C 54 54 ALA B Protein S 1 FT #SUB 165 165 GLU C 57 57 PRO B Protein S 3 FT #SUB 166 166 PHE C 60 60 TYR B Protein S 4 FT #SUB 186 186 ARG C 91 91 ARG B Protein S 1 FT #SUB 211 211 ARG C 62 62 GLU B Protein S 8 FT #SUB 230 230 ARG C 60 60 TYR B Protein S 2 FT #SUB 230 230 ARG C 62 62 GLU B Protein S 6 FT #SUB 231 231 PRO C 59 59 GLU B Protein S 4 FT #SUB 231 231 PRO C 60 60 TYR B Protein S 1 FT #SUB 231 231 PRO C 61 61 HIS B Protein B 4 FT #SUB 231 231 PRO C 62 62 GLU B Protein B 3 FT #SUB 232 232 VAL C 62 62 GLU B Protein B 2 FT #SUB 233 233 LEU C 61 61 HIS B Protein S 2 FT #SUB 233 233 LEU C 62 62 GLU B Protein A 4 FT #SUB 233 233 LEU C 63 63 LYS B Protein A 6 FT #SUB 233 233 LEU C 64 64 GLU B Protein B 2 FT #SUB 234 234 LYS C 64 64 GLU B Protein A 5 FT #SUB 235 235 ALA C 64 64 GLU B Protein A 10 FT #SUB 235 235 ALA C 65 65 GLU B Protein S 1 FT #SUB 235 235 ALA C 66 66 GLU B Protein A 7 FT #SUB 236 236 ASN C 66 66 GLU B Protein A 9 FT #SUB 237 237 ARG C 66 66 GLU B Protein A 9 FT #SUB 237 237 ARG C 67 67 ILE B Protein B 4 FT #SUB 237 237 ARG C 151 151 TYR B Protein S 7 FT #SUB 238 238 PRO C 64 64 GLU B Protein S 1 FT #SUB 238 238 PRO C 65 65 GLU B Protein B 2 FT #SUB 238 238 PRO C 67 67 ILE B Protein B 4 FT #SUB 239 239 VAL C 65 65 GLU B Protein A 5 FT #SUB 239 239 VAL C 66 66 GLU B Protein S 1 FT #SUB 239 239 VAL C 67 67 ILE B Protein B 3 FT #SUB 164 164 ALA C 109 109 PHE D Protein B 1 FT #SUB 167 167 GLY C 106 106 SER D Protein B 3 FT #SUB 167 167 GLY C 108 108 THR D Protein B 6 FT #SUB 169 169 GLN C 109 109 PHE D Protein S 1 FT #SUB 153 153 ARG C 20 20 GLN E Protein S 3 FT #SUB 157 157 ARG C 13 13 LEU E Protein S 1 FT #SUB 158 158 TRP C 57 57 PRO E Protein S 7 FT #SUB 161 161 GLN C 161 161 GLN F Protein A 9 FT #SUB 161 161 GLN C 164 164 ALA F Protein S 2 FT #SUB 161 161 GLN C 165 165 GLU F Protein S 3 FT #SUB 164 164 ALA C 161 161 GLN F Protein A 2 FT #SUB 165 165 GLU C 161 161 GLN F Protein A 3 FT #SUB 169 169 GLN C 169 169 GLN F Protein S 9 FT #SUB 169 169 GLN C 170 170 LEU F Protein S 3 FT #SUB 169 169 GLN C 172 172 SER F Protein S 1 FT #SUB 170 170 LEU C 169 169 GLN F Protein B 4 FT #SUB 172 172 SER C 169 169 GLN F Protein B 1 FT #SUB 26 26 ASP C 37 37 HIS K Protein S 8 FT #SUB 26 26 ASP C 40 40 PHE K Protein S 11 FT #SUB 27 27 PHE C 35 35 ILE K Protein S 1 FT #SUB 27 27 PHE C 40 40 PHE K Protein S 4 FT #SUB 149 149 PRO C 29 29 ALA K Protein S 2 FT #SUB 153 153 ARG C 28 28 HIS K Protein S 2 FT #SUB 233 233 LEU C 31 31 ALA K Protein S 1 FT #HET 108 108 SER C 4 3401 TLA C A 5 FT #HET 131 131 CYS C 4 3401 TLA C A 7 FT #HET 132 132 SER C 4 3401 TLA C A 11 FT #HET 133 133 CYS C 4 3401 TLA C A 5 FT #HET 136 136 ARG C 4 3401 TLA C S 7 FT #HET 157 157 ARG C 3 3001 FRU C S 8 FT #HET 177 177 ARG C 5 3501 TLA C S 8 FT #HET 186 186 ARG C 4 3401 TLA C S 1 FT DISORDER 1 22 FT DISORDER 240 243 CC SEQUENCE 217 AA (ATOM); CC EVSDFEILEM AVRELAIEKG LFSAEDHRVW KDYVHTLGPL PAARLVAKAW LDPEYKKLCI CC EDGVEASKAV GVNWVTSPPT QFGTPSDYCN LRVLADSPTL KHVVVCTLCS CYPRPILGQS CC PEWYRSPNYR RRLVRWPRQV LAEFGLQLPS EVQIRVADSN QKTRYIVMPV RPEGTDGWTE CC DQLAEIVTRD CLIGVAVPKP GITVNAKRPV LKANRPV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSADHDHDHDHDHDHKPAPMVEEVSDFEILEMAVRELAIEKGLFSAEDHR CC ATOM ----------------------EVSDFEILEMAVRELAIEKGLFSAEDHR CC **************************** CC SEQRES VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ATOM VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ************************************************** CC SEQRES PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ATOM PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ************************************************** CC SEQRES YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ATOM YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ************************************************** CC SEQRES TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPVHHDH CC ATOM TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPV---- CC *************************************** SQ SEQUENCE 243 AA; MW; CN; MSADHDHDHD HDHDHKPAPM VEEVSDFEIL EMAVRELAIE KGLFSAEDHR VWKDYVHTLG PLPAARLVAK AWLDPEYKKL CIEDGVEASK AVGVNWVTSP PTQFGTPSDY CNLRVLADSP TLKHVVVCTL CSCYPRPILG QSPEWYRSPN YRRRLVRWPR QVLAEFGLQL PSEVQIRVAD SNQKTRYIVM PVRPEGTDGW TEDQLAEIVT RDCLIGVAVP KPGITVNAKR PVLKANRPVH HDH // ID 2DD4D STANDARD; PRT; 126 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase alpha subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 58 58 THR D 9 9 VAL B Protein A 3 FT #SUB 58 58 THR D 12 12 HIS B Protein S 1 FT #SUB 59 59 TYR D 6 6 ARG B Protein B 4 FT #SUB 60 60 THR D 6 6 ARG B Protein B 3 FT #SUB 61 61 ARG D 5 5 ILE B Protein B 2 FT #SUB 61 61 ARG D 6 6 ARG B Protein B 6 FT #SUB 61 61 ARG D 9 9 VAL B Protein A 2 FT #SUB 62 62 GLY D 5 5 ILE B Protein B 2 FT #SUB 62 62 GLY D 6 6 ARG B Protein B 1 FT #SUB 63 63 ALA D 6 6 ARG B Protein S 1 FT #SUB 100 100 ASP D 6 6 ARG B Protein B 1 FT #SUB 101 101 LEU D 6 6 ARG B Protein B 4 FT #SUB 101 101 LEU D 10 10 HIS B Protein B 2 FT #SUB 103 103 PRO D 10 10 HIS B Protein S 5 FT #SUB 103 103 PRO D 59 59 GLU B Protein B 1 FT #SUB 104 104 GLU D 59 59 GLU B Protein A 7 FT #SUB 106 106 SER D 167 167 GLY C Protein S 3 FT #SUB 108 108 THR D 167 167 GLY C Protein S 6 FT #SUB 109 109 PHE D 164 164 ALA C Protein S 1 FT #SUB 109 109 PHE D 169 169 GLN C Protein S 1 FT #SUB 8 8 PRO D 124 124 GLN E Protein S 1 FT #SUB 10 10 TRP D 123 123 LYS E Protein S 10 FT #SUB 12 12 ARG D 82 82 ARG E Protein A 5 FT #SUB 12 12 ARG D 83 83 GLY E Protein A 6 FT #SUB 12 12 ARG D 125 125 PHE E Protein S 1 FT #SUB 47 47 ASP D 41 41 ARG E Protein S 8 FT #SUB 50 50 ASP D 46 46 VAL E Protein B 1 FT #SUB 52 52 PHE D 46 46 VAL E Protein B 2 FT #SUB 53 53 TYR D 46 46 VAL E Protein B 2 FT #SUB 53 53 TYR D 48 48 HIS E Protein S 1 FT #SUB 53 53 TYR D 88 88 GLU E Protein S 5 FT #SUB 53 53 TYR D 91 91 ARG E Protein S 1 FT #SUB 53 53 TYR D 92 92 ARG E Protein S 10 FT #SUB 53 53 TYR D 96 96 CYS E Protein S 2 FT #SUB 54 54 THR D 46 46 VAL E Protein S 1 FT #SUB 54 54 THR D 48 48 HIS E Protein B 2 FT #SUB 55 55 ARG D 48 48 HIS E Protein S 1 FT #SUB 55 55 ARG D 88 88 GLU E Protein S 6 FT #SUB 55 55 ARG D 91 91 ARG E Protein S 2 FT #SUB 57 57 MET D 49 49 ASP E Protein A 6 FT #SUB 58 58 THR D 49 49 ASP E Protein A 7 FT #SUB 59 59 TYR D 51 51 GLY E Protein S 4 FT #SUB 77 77 ALA D 88 88 GLU E Protein S 2 FT #SUB 80 80 GLU D 86 86 THR E Protein B 1 FT #SUB 80 80 GLU D 88 88 GLU E Protein S 2 FT #SUB 80 80 GLU D 89 89 GLU E Protein B 1 FT #SUB 81 81 ALA D 88 88 GLU E Protein A 5 FT #SUB 81 81 ALA D 89 89 GLU E Protein B 7 FT #SUB 81 81 ALA D 92 92 ARG E Protein A 4 FT #SUB 82 82 PHE D 92 92 ARG E Protein S 11 FT #SUB 83 83 GLY D 89 89 GLU E Protein B 2 FT #SUB 85 85 GLU D 86 86 THR E Protein S 1 FT #SUB 102 102 TRP D 52 52 GLY E Protein S 2 FT #SUB 12 12 ARG D 42 42 GLY F Protein S 1 FT #SUB 12 12 ARG D 43 43 LEU F Protein S 2 FT #SUB 15 15 HIS D 104 104 PHE F Protein S 3 FT #SUB 19 19 ALA D 104 104 PHE F Protein A 4 FT #SUB 20 20 THR D 103 103 GLN F Protein B 2 FT #SUB 20 20 THR D 104 104 PHE F Protein A 3 FT #SUB 21 21 GLY D 103 103 GLN F Protein B 3 FT #SUB 22 22 ILE D 97 97 VAL F Protein B 1 FT #SUB 23 23 GLY D 104 104 PHE F Protein B 1 FT #SUB 23 23 GLY D 111 111 CYS F Protein B 1 FT #SUB 24 24 ASP D 104 104 PHE F Protein B 1 FT #SUB 24 24 ASP D 110 110 TYR F Protein A 6 FT #SUB 24 24 ASP D 111 111 CYS F Protein B 6 FT #SUB 24 24 ASP D 184 184 LYS F Protein S 5 FT #SUB 26 26 GLN D 111 111 CYS F Protein S 6 FT #SUB 28 28 PHE D 184 184 LYS F Protein S 1 FT #SUB 55 55 ARG D 130 130 LEU F Protein A 8 FT #SUB 55 55 ARG D 131 131 CYS F Protein S 1 FT #SUB 55 55 ARG D 182 182 ASN F Protein A 10 FT #SUB 55 55 ARG D 183 183 GLN F Protein A 4 FT #SUB 57 57 MET D 129 129 THR F Protein S 1 FT #SUB 57 57 MET D 130 130 LEU F Protein S 1 FT #SUB 57 57 MET D 180 180 ASP F Protein S 2 FT #SUB 57 57 MET D 182 182 ASN F Protein S 5 FT #SUB 59 59 TYR D 156 156 VAL F Protein S 1 FT #SUB 59 59 TYR D 180 180 ASP F Protein S 5 FT #SUB 69 69 ARG D 83 83 GLU F Protein S 9 FT #SUB 69 69 ARG D 114 114 ARG F Protein S 5 FT #SUB 71 71 VAL D 112 112 ASN F Protein B 1 FT #SUB 72 72 TYR D 112 112 ASN F Protein S 3 FT #SUB 72 72 TYR D 183 183 GLN F Protein S 2 FT #SUB 72 72 TYR D 184 184 LYS F Protein S 5 FT #SUB 72 72 TYR D 185 185 THR F Protein S 2 FT #SUB 74 74 SER D 184 184 LYS F Protein S 4 FT #SUB 80 80 GLU D 184 184 LYS F Protein S 6 FT #SUB 91 91 PHE D 183 183 GLN F Protein S 4 FT #SUB 93 93 SER D 114 114 ARG F Protein S 1 FT #SUB 95 95 VAL D 177 177 ARG F Protein S 4 FT #SUB 98 98 GLN D 156 156 VAL F Protein S 3 FT #SUB 98 98 GLN D 159 159 PRO F Protein S 2 FT #SUB 102 102 TRP D 156 156 VAL F Protein S 4 FT #SUB 102 102 TRP D 157 157 ARG F Protein S 19 FT #SUB 104 104 GLU D 157 157 ARG F Protein S 10 FT #SUB 104 104 GLU D 158 158 TRP F Protein S 1 FT #SUB 105 105 TYR D 157 157 ARG F Protein S 2 FT #SUB 105 105 TYR D 159 159 PRO F Protein S 2 FT #SUB 108 108 THR D 172 172 SER F Protein A 4 FT #SUB 109 109 PHE D 160 160 ARG F Protein S 10 FT #SUB 109 109 PHE D 172 172 SER F Protein A 6 FT #SUB 111 111 ASN D 173 173 GLU F Protein S 4 FT #SUB 111 111 ASN D 175 175 GLN F Protein B 5 FT #SUB 112 112 ASP D 160 160 ARG F Protein S 10 FT #SUB 112 112 ASP D 174 174 VAL F Protein S 1 FT #SUB 112 112 ASP D 176 176 ILE F Protein A 10 FT #SUB 113 113 THR D 175 175 GLN F Protein S 6 FT #SUB 113 113 THR D 176 176 ILE F Protein B 2 FT #SUB 113 113 THR D 177 177 ARG F Protein A 9 FT #SUB 113 113 THR D 178 178 VAL F Protein B 1 FT #SUB 114 114 LEU D 156 156 VAL F Protein S 3 FT #SUB 114 114 LEU D 178 178 VAL F Protein A 3 FT #SUB 115 115 GLU D 114 114 ARG F Protein S 3 FT #SUB 115 115 GLU D 177 177 ARG F Protein S 5 FT #SUB 115 115 GLU D 178 178 VAL F Protein B 4 FT #SUB 115 115 GLU D 179 179 ALA F Protein B 2 FT #SUB 115 115 GLU D 180 180 ASP F Protein B 2 FT #SUB 116 116 THR D 180 180 ASP F Protein A 6 FT #SUB 116 116 THR D 182 182 ASN F Protein S 5 FT #SUB 117 117 GLU D 182 182 ASN F Protein A 9 FT #SUB 117 117 GLU D 183 183 GLN F Protein A 6 FT #SUB 117 117 GLU D 185 185 THR F Protein S 8 FT #SUB 119 119 PRO D 183 183 GLN F Protein S 1 FT #SUB 8 8 PRO D 9 9 VAL G Protein A 2 FT #SUB 9 9 VAL D 8 8 PRO G Protein B 3 FT #SUB 10 10 TRP D 8 8 PRO G Protein S 4 FT #SUB 49 49 PRO D 132 132 HIS H Protein A 8 FT #SUB 49 49 PRO D 135 135 ILE H Protein S 2 FT #SUB 49 49 PRO D 136 136 VAL H Protein S 2 FT #SUB 49 49 PRO D 139 139 ARG H Protein S 1 FT #SUB 50 50 ASP D 132 132 HIS H Protein B 1 FT #SUB 51 51 LEU D 114 114 LEU H Protein S 1 FT #SUB 51 51 LEU D 128 128 LEU H Protein B 2 FT #SUB 51 51 LEU D 131 131 LEU H Protein S 1 FT #SUB 51 51 LEU D 132 132 HIS H Protein B 5 FT #SUB 52 52 PHE D 114 114 LEU H Protein S 2 FT #SUB 52 52 PHE D 117 117 ALA H Protein S 3 FT #SUB 52 52 PHE D 118 118 ARG H Protein S 9 FT #SUB 52 52 PHE D 128 128 LEU H Protein S 2 FT #SUB 52 52 PHE D 131 131 LEU H Protein S 2 FT #SUB 53 53 TYR D 128 128 LEU H Protein A 3 FT #SUB 53 53 TYR D 132 132 HIS H Protein B 2 FT #SUB 78 78 GLU D 128 128 LEU H Protein B 2 FT #SUB 79 79 ASP D 127 127 THR H Protein S 1 FT #SUB 79 79 ASP D 129 129 THR H Protein S 5 FT #SUB 82 82 PHE D 118 118 ARG H Protein S 2 FT #SUB 82 82 PHE D 121 121 VAL H Protein S 3 FT #SUB 82 82 PHE D 122 122 ASP H Protein S 2 FT #SUB 82 82 PHE D 124 124 GLN H Protein B 3 FT #SUB 82 82 PHE D 128 128 LEU H Protein S 1 FT #SUB 83 83 GLY D 124 124 GLN H Protein B 3 FT #SUB 84 84 ASN D 124 124 GLN H Protein S 3 FT #SUB 84 84 ASN D 127 127 THR H Protein S 3 FT #SUB 86 86 GLU D 127 127 THR H Protein S 1 FT #SUB 121 121 ARG D 129 129 THR H Protein S 6 FT #HET 52 52 PHE D 9 3006 FRU H S 4 FT #HET 68 68 VAL D 7 4501 TLA F S 4 FT DISORDER 1 7 CC SEQUENCE 119 AA (ATOM); CC PVWDRTHHAK MATGIGDPQC FKGMAGKSKF NVGDRVRIKD LPDLFYTRTM TYTRGATGTI CC VRLVYESPAA EDEAFGNEEN VEWFYSIVFA QKDLWPEYSD TFANDTLETE IPERYLEKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSDSHHKPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ATOM -------PVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ******************************************* CC SEQRES LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ATOM LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ************************************************** CC SEQRES LWPEYSDTFANDTLETEIPERYLEKA CC ATOM LWPEYSDTFANDTLETEIPERYLEKA CC ************************** SQ SEQUENCE 126 AA; MW; CN; MSDSHHKPVW DRTHHAKMAT GIGDPQCFKG MAGKSKFNVG DRVRIKDLPD LFYTRTMTYT RGATGTIVRL VYESPAAEDE AFGNEENVEW FYSIVFAQKD LWPEYSDTFA NDTLETEIPE RYLEKA // ID 2DD4E STANDARD; PRT; 157 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase beta subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 5 5 ILE E 47 47 ASP A Protein S 1 FT #SUB 5 5 ILE E 61 61 ARG A Protein S 2 FT #SUB 5 5 ILE E 62 62 GLY A Protein S 2 FT #SUB 6 6 ARG E 59 59 TYR A Protein S 4 FT #SUB 6 6 ARG E 60 60 THR A Protein S 3 FT #SUB 6 6 ARG E 61 61 ARG A Protein S 5 FT #SUB 6 6 ARG E 62 62 GLY A Protein S 1 FT #SUB 6 6 ARG E 63 63 ALA A Protein S 1 FT #SUB 6 6 ARG E 100 100 ASP A Protein S 1 FT #SUB 6 6 ARG E 101 101 LEU A Protein S 4 FT #SUB 9 9 VAL E 58 58 THR A Protein S 2 FT #SUB 9 9 VAL E 61 61 ARG A Protein S 2 FT #SUB 10 10 HIS E 101 101 LEU A Protein S 2 FT #SUB 10 10 HIS E 103 103 PRO A Protein S 5 FT #SUB 12 12 HIS E 58 58 THR A Protein S 1 FT #SUB 59 59 GLU E 104 104 GLU A Protein S 6 FT #SUB 8 8 GLU E 37 37 HIS B Protein S 5 FT #SUB 8 8 GLU E 41 41 ARG B Protein S 5 FT #SUB 11 11 ARG E 38 38 THR B Protein S 1 FT #SUB 12 12 HIS E 41 41 ARG B Protein S 6 FT #SUB 12 12 HIS E 42 42 ALA B Protein S 1 FT #SUB 12 12 HIS E 45 45 ARG B Protein S 1 FT #SUB 13 13 LEU E 51 51 GLY B Protein S 1 FT #SUB 15 15 THR E 38 38 THR B Protein S 3 FT #SUB 15 15 THR E 42 42 ALA B Protein S 1 FT #SUB 16 16 VAL E 45 45 ARG B Protein S 5 FT #SUB 16 16 VAL E 53 53 GLU B Protein S 3 FT #SUB 19 19 MET E 42 42 ALA B Protein S 4 FT #SUB 19 19 MET E 43 43 TYR B Protein S 8 FT #SUB 19 19 MET E 100 100 GLN B Protein B 1 FT #SUB 20 20 GLN E 104 104 LEU B Protein S 2 FT #SUB 21 21 PRO E 100 100 GLN B Protein S 3 FT #SUB 21 21 PRO E 101 101 THR B Protein S 1 FT #SUB 21 21 PRO E 104 104 LEU B Protein S 1 FT #SUB 24 24 HIS E 24 24 HIS B Protein S 18 FT #SUB 26 26 GLN E 26 26 GLN B Protein S 1 FT #SUB 37 37 HIS E 8 8 GLU B Protein S 6 FT #SUB 38 38 THR E 11 11 ARG B Protein S 3 FT #SUB 38 38 THR E 15 15 THR B Protein S 1 FT #SUB 39 39 LEU E 19 19 MET B Protein S 1 FT #SUB 41 41 ARG E 8 8 GLU B Protein S 5 FT #SUB 41 41 ARG E 12 12 HIS B Protein A 6 FT #SUB 42 42 ALA E 12 12 HIS B Protein B 2 FT #SUB 42 42 ALA E 15 15 THR B Protein S 1 FT #SUB 42 42 ALA E 19 19 MET B Protein A 4 FT #SUB 43 43 TYR E 19 19 MET B Protein S 7 FT #SUB 45 45 ARG E 12 12 HIS B Protein S 1 FT #SUB 45 45 ARG E 16 16 VAL B Protein S 5 FT #SUB 51 51 GLY E 13 13 LEU B Protein B 1 FT #SUB 53 53 GLU E 16 16 VAL B Protein S 3 FT #SUB 54 54 ALA E 56 56 VAL B Protein A 2 FT #SUB 55 55 ASP E 56 56 VAL B Protein B 8 FT #SUB 55 55 ASP E 57 57 PRO B Protein B 1 FT #SUB 56 56 VAL E 54 54 ALA B Protein S 2 FT #SUB 56 56 VAL E 55 55 ASP B Protein A 6 FT #SUB 56 56 VAL E 56 56 VAL B Protein A 3 FT #SUB 57 57 PRO E 55 55 ASP B Protein S 1 FT #SUB 100 100 GLN E 19 19 MET B Protein S 1 FT #SUB 100 100 GLN E 21 21 PRO B Protein A 3 FT #SUB 101 101 THR E 21 21 PRO B Protein B 1 FT #SUB 104 104 LEU E 20 20 GLN B Protein S 2 FT #SUB 104 104 LEU E 21 21 PRO B Protein S 2 FT #SUB 13 13 LEU E 157 157 ARG C Protein S 1 FT #SUB 20 20 GLN E 153 153 ARG C Protein S 3 FT #SUB 57 57 PRO E 158 158 TRP C Protein S 7 FT #SUB 41 41 ARG E 47 47 ASP D Protein S 8 FT #SUB 46 46 VAL E 50 50 ASP D Protein S 1 FT #SUB 46 46 VAL E 52 52 PHE D Protein S 2 FT #SUB 46 46 VAL E 53 53 TYR D Protein S 2 FT #SUB 46 46 VAL E 54 54 THR D Protein S 1 FT #SUB 48 48 HIS E 53 53 TYR D Protein S 1 FT #SUB 48 48 HIS E 54 54 THR D Protein S 2 FT #SUB 48 48 HIS E 55 55 ARG D Protein S 1 FT #SUB 49 49 ASP E 57 57 MET D Protein S 6 FT #SUB 49 49 ASP E 58 58 THR D Protein S 7 FT #SUB 51 51 GLY E 59 59 TYR D Protein B 4 FT #SUB 52 52 GLY E 102 102 TRP D Protein B 2 FT #SUB 82 82 ARG E 12 12 ARG D Protein B 5 FT #SUB 83 83 GLY E 12 12 ARG D Protein B 6 FT #SUB 86 86 THR E 80 80 GLU D Protein S 1 FT #SUB 86 86 THR E 85 85 GLU D Protein S 1 FT #SUB 88 88 GLU E 53 53 TYR D Protein S 5 FT #SUB 88 88 GLU E 55 55 ARG D Protein S 6 FT #SUB 88 88 GLU E 77 77 ALA D Protein S 2 FT #SUB 88 88 GLU E 80 80 GLU D Protein S 2 FT #SUB 88 88 GLU E 81 81 ALA D Protein A 5 FT #SUB 89 89 GLU E 80 80 GLU D Protein S 1 FT #SUB 89 89 GLU E 81 81 ALA D Protein A 7 FT #SUB 89 89 GLU E 83 83 GLY D Protein S 2 FT #SUB 91 91 ARG E 53 53 TYR D Protein S 1 FT #SUB 91 91 ARG E 55 55 ARG D Protein S 2 FT #SUB 92 92 ARG E 53 53 TYR D Protein A 10 FT #SUB 92 92 ARG E 81 81 ALA D Protein S 4 FT #SUB 92 92 ARG E 82 82 PHE D Protein S 11 FT #SUB 96 96 CYS E 53 53 TYR D Protein S 2 FT #SUB 123 123 LYS E 10 10 TRP D Protein A 10 FT #SUB 124 124 GLN E 8 8 PRO D Protein S 1 FT #SUB 125 125 PHE E 12 12 ARG D Protein S 1 FT #SUB 48 48 HIS E 129 129 THR F Protein B 1 FT #SUB 48 48 HIS E 130 130 LEU F Protein A 10 FT #SUB 48 48 HIS E 152 152 ARG F Protein B 1 FT #SUB 49 49 ASP E 130 130 LEU F Protein B 1 FT #SUB 50 50 VAL E 129 129 THR F Protein S 1 FT #SUB 50 50 VAL E 152 152 ARG F Protein S 2 FT #SUB 50 50 VAL E 153 153 ARG F Protein A 5 FT #SUB 51 51 GLY E 129 129 THR F Protein B 2 FT #SUB 51 51 GLY E 152 152 ARG F Protein B 2 FT #SUB 52 52 GLY E 153 153 ARG F Protein B 3 FT #SUB 52 52 GLY E 156 156 VAL F Protein B 1 FT #SUB 52 52 GLY E 157 157 ARG F Protein B 2 FT #SUB 53 53 GLU E 153 153 ARG F Protein A 13 FT #SUB 53 53 GLU E 158 158 TRP F Protein B 1 FT #SUB 54 54 ALA E 158 158 TRP F Protein B 1 FT #SUB 55 55 ASP E 150 150 ASN F Protein S 7 FT #SUB 55 55 ASP E 153 153 ARG F Protein S 4 FT #SUB 55 55 ASP E 154 154 ARG F Protein A 3 FT #SUB 56 56 VAL E 150 150 ASN F Protein B 4 FT #SUB 56 56 VAL E 154 154 ARG F Protein B 4 FT #SUB 57 57 PRO E 154 154 ARG F Protein A 5 FT #SUB 57 57 PRO E 165 165 GLU F Protein S 3 FT #SUB 58 58 ILE E 150 150 ASN F Protein S 5 FT #SUB 59 59 GLU E 231 231 PRO F Protein S 2 FT #SUB 60 60 TYR E 145 145 TRP F Protein S 4 FT #SUB 60 60 TYR E 148 148 SER F Protein S 1 FT #SUB 60 60 TYR E 150 150 ASN F Protein S 5 FT #SUB 60 60 TYR E 151 151 TYR F Protein S 4 FT #SUB 60 60 TYR E 154 154 ARG F Protein S 2 FT #SUB 60 60 TYR E 166 166 PHE F Protein S 4 FT #SUB 60 60 TYR E 230 230 ARG F Protein B 2 FT #SUB 60 60 TYR E 231 231 PRO F Protein B 1 FT #SUB 61 61 HIS E 144 144 GLU F Protein A 2 FT #SUB 61 61 HIS E 145 145 TRP F Protein B 3 FT #SUB 61 61 HIS E 231 231 PRO F Protein A 5 FT #SUB 61 61 HIS E 233 233 LEU F Protein S 1 FT #SUB 62 62 GLU E 143 143 PRO F Protein S 1 FT #SUB 62 62 GLU E 144 144 GLU F Protein B 1 FT #SUB 62 62 GLU E 145 145 TRP F Protein S 4 FT #SUB 62 62 GLU E 211 211 ARG F Protein S 8 FT #SUB 62 62 GLU E 230 230 ARG F Protein S 4 FT #SUB 62 62 GLU E 231 231 PRO F Protein B 3 FT #SUB 62 62 GLU E 232 232 VAL F Protein B 2 FT #SUB 62 62 GLU E 233 233 LEU F Protein B 5 FT #SUB 63 63 LYS E 144 144 GLU F Protein A 10 FT #SUB 63 63 LYS E 233 233 LEU F Protein A 6 FT #SUB 64 64 GLU E 233 233 LEU F Protein A 3 FT #SUB 64 64 GLU E 234 234 LYS F Protein S 7 FT #SUB 64 64 GLU E 235 235 ALA F Protein A 7 FT #SUB 64 64 GLU E 238 238 PRO F Protein S 2 FT #SUB 65 65 GLU E 235 235 ALA F Protein B 1 FT #SUB 65 65 GLU E 238 238 PRO F Protein B 2 FT #SUB 66 66 GLU E 235 235 ALA F Protein S 8 FT #SUB 66 66 GLU E 236 236 ASN F Protein S 8 FT #SUB 66 66 GLU E 237 237 ARG F Protein A 8 FT #SUB 67 67 ILE E 237 237 ARG F Protein A 4 FT #SUB 67 67 ILE E 238 238 PRO F Protein S 4 FT #SUB 67 67 ILE E 239 239 VAL F Protein S 2 FT #SUB 68 68 TRP E 27 27 PHE F Protein S 11 FT #SUB 68 68 TRP E 28 28 GLU F Protein S 2 FT #SUB 68 68 TRP E 31 31 GLU F Protein B 1 FT #SUB 71 71 ASN E 31 31 GLU F Protein S 5 FT #SUB 71 71 ASN E 35 35 ARG F Protein S 1 FT #SUB 71 71 ASN E 49 49 HIS F Protein A 7 FT #SUB 71 71 ASN E 53 53 LYS F Protein S 4 FT #SUB 72 72 THR E 31 31 GLU F Protein S 1 FT #SUB 73 73 PHE E 56 56 VAL F Protein S 2 FT #SUB 73 73 PHE E 136 136 ARG F Protein S 6 FT #SUB 73 73 PHE E 141 141 GLN F Protein S 6 FT #SUB 74 74 ALA E 49 49 HIS F Protein A 4 FT #SUB 74 74 ALA E 53 53 LYS F Protein S 1 FT #SUB 75 75 THR E 35 35 ARG F Protein S 1 FT #SUB 75 75 THR E 44 44 PHE F Protein A 3 FT #SUB 75 75 THR E 49 49 HIS F Protein A 6 FT #SUB 77 77 GLU E 52 52 TRP F Protein S 8 FT #SUB 77 77 GLU E 106 106 THR F Protein S 1 FT #SUB 77 77 GLU E 107 107 PRO F Protein A 6 FT #SUB 77 77 GLU E 108 108 SER F Protein S 10 FT #SUB 78 78 CYS E 44 44 PHE F Protein S 2 FT #SUB 78 78 CYS E 48 48 ASP F Protein S 2 FT #SUB 78 78 CYS E 49 49 HIS F Protein S 2 FT #SUB 78 78 CYS E 52 52 TRP F Protein S 1 FT #SUB 79 79 LEU E 44 44 PHE F Protein S 4 FT #SUB 80 80 ALA E 107 107 PRO F Protein S 2 FT #SUB 81 81 TRP E 48 48 ASP F Protein S 6 FT #SUB 81 81 TRP E 52 52 TRP F Protein S 1 FT #SUB 81 81 TRP E 101 101 PRO F Protein S 1 FT #SUB 81 81 TRP E 102 102 THR F Protein S 6 FT #SUB 81 81 TRP E 107 107 PRO F Protein B 1 FT #SUB 82 82 ARG E 43 43 LEU F Protein S 2 FT #SUB 82 82 ARG E 44 44 PHE F Protein S 1 FT #SUB 82 82 ARG E 48 48 ASP F Protein S 9 FT #SUB 84 84 VAL E 43 43 LEU F Protein S 1 FT #SUB 87 87 ALA E 107 107 PRO F Protein S 2 FT #SUB 87 87 ALA E 108 108 SER F Protein S 2 FT #SUB 87 87 ALA E 110 110 TYR F Protein S 1 FT #SUB 88 88 GLU E 110 110 TYR F Protein A 2 FT #SUB 90 90 ARG E 108 108 SER F Protein S 3 FT #SUB 91 91 ARG E 108 108 SER F Protein S 3 FT #SUB 91 91 ARG E 110 110 TYR F Protein S 6 FT #SUB 91 91 ARG E 186 186 ARG F Protein S 1 FT #SUB 95 95 ASN E 131 131 CYS F Protein S 1 FT #SUB 103 103 TYR E 152 152 ARG F Protein S 4 FT #SUB 104 104 LEU E 149 149 PRO F Protein S 1 FT #SUB 104 104 LEU E 153 153 ARG F Protein S 1 FT #SUB 106 106 MET E 27 27 PHE F Protein S 2 FT #SUB 107 107 PRO E 27 27 PHE F Protein S 2 FT #SUB 108 108 TYR E 132 132 SER F Protein S 4 FT #SUB 108 108 TYR E 147 147 ARG F Protein S 11 FT #SUB 109 109 TYR E 141 141 GLN F Protein S 1 FT #SUB 109 109 TYR E 147 147 ARG F Protein S 1 FT #SUB 110 110 GLY E 27 27 PHE F Protein B 1 FT #SUB 113 113 LEU E 27 27 PHE F Protein S 2 FT #SUB 113 113 LEU E 30 30 LEU F Protein S 4 FT #SUB 113 113 LEU E 31 31 GLU F Protein S 3 FT #SUB 114 114 LEU E 30 30 LEU F Protein S 1 FT #SUB 117 117 ALA E 34 34 VAL F Protein S 1 FT #SUB 120 120 LEU E 43 43 LEU F Protein S 1 FT #SUB 125 125 PHE E 41 41 LYS F Protein B 3 FT #SUB 125 125 PHE E 43 43 LEU F Protein S 3 FT #SUB 126 126 VAL E 41 41 LYS F Protein S 2 FT #SUB 130 130 GLU E 41 41 LYS F Protein S 6 FT #SUB 131 131 LEU E 37 37 LEU F Protein A 2 FT #SUB 134 134 LYS E 33 33 ALA F Protein S 4 FT #SUB 134 134 LYS E 36 36 GLU F Protein S 4 FT #SUB 134 134 LYS E 37 37 LEU F Protein S 3 FT #SUB 134 134 LYS E 40 40 GLU F Protein S 3 FT #SUB 138 138 MET E 29 29 ILE F Protein S 2 FT #SUB 138 138 MET E 32 32 MET F Protein S 1 FT #SUB 138 138 MET E 33 33 ALA F Protein S 1 FT #SUB 138 138 MET E 36 36 GLU F Protein S 1 FT #SUB 141 141 ARG E 32 32 MET F Protein S 1 FT #SUB 141 141 ARG E 36 36 GLU F Protein S 8 FT #SUB 142 142 VAL E 24 24 VAL F Protein S 1 FT #SUB 142 142 VAL E 29 29 ILE F Protein S 1 FT #SUB 148 148 LEU E 32 32 MET F Protein S 3 FT #SUB 149 149 GLY E 32 32 MET F Protein B 2 FT #SUB 150 150 GLU E 53 53 LYS F Protein S 1 FT #SUB 151 151 TYR E 28 28 GLU F Protein S 6 FT #SUB 151 151 TYR E 31 31 GLU F Protein S 6 FT #SUB 151 151 TYR E 32 32 MET F Protein S 2 FT #SUB 151 151 TYR E 237 237 ARG F Protein A 8 FT #SUB 152 152 LEU E 24 24 VAL F Protein S 1 FT #SUB 114 114 LEU E 51 51 LEU G Protein S 1 FT #SUB 114 114 LEU E 52 52 PHE G Protein B 2 FT #SUB 117 117 ALA E 52 52 PHE G Protein A 3 FT #SUB 118 118 ARG E 52 52 PHE G Protein A 7 FT #SUB 118 118 ARG E 82 82 PHE G Protein S 2 FT #SUB 121 121 VAL E 82 82 PHE G Protein S 3 FT #SUB 122 122 ASP E 82 82 PHE G Protein S 1 FT #SUB 124 124 GLN E 82 82 PHE G Protein S 3 FT #SUB 124 124 GLN E 83 83 GLY G Protein S 3 FT #SUB 124 124 GLN E 84 84 ASN G Protein S 4 FT #SUB 127 127 THR E 79 79 ASP G Protein S 1 FT #SUB 127 127 THR E 84 84 ASN G Protein A 4 FT #SUB 128 128 LEU E 51 51 LEU G Protein S 2 FT #SUB 128 128 LEU E 52 52 PHE G Protein S 1 FT #SUB 128 128 LEU E 53 53 TYR G Protein S 3 FT #SUB 128 128 LEU E 78 78 GLU G Protein S 2 FT #SUB 128 128 LEU E 82 82 PHE G Protein S 1 FT #SUB 129 129 THR E 79 79 ASP G Protein A 5 FT #SUB 129 129 THR E 121 121 ARG G Protein S 6 FT #SUB 131 131 LEU E 52 52 PHE G Protein S 2 FT #SUB 132 132 HIS E 49 49 PRO G Protein A 10 FT #SUB 132 132 HIS E 50 50 ASP G Protein S 2 FT #SUB 132 132 HIS E 51 51 LEU G Protein S 5 FT #SUB 132 132 HIS E 53 53 TYR G Protein S 1 FT #SUB 135 135 ILE E 49 49 PRO G Protein S 2 FT #SUB 136 136 VAL E 49 49 PRO G Protein S 2 FT #SUB 139 139 ARG E 49 49 PRO G Protein S 1 FT #SUB 18 18 LEU E 22 22 ALA H Protein B 1 FT #SUB 18 18 LEU E 23 23 LEU H Protein B 2 FT #SUB 18 18 LEU E 24 24 HIS H Protein A 8 FT #SUB 18 18 LEU E 25 25 GLN H Protein S 3 FT #SUB 22 22 ALA E 18 18 LEU H Protein B 1 FT #SUB 23 23 LEU E 18 18 LEU H Protein B 2 FT #SUB 24 24 HIS E 18 18 LEU H Protein A 8 FT #SUB 25 25 GLN E 18 18 LEU H Protein A 3 FT #SUB 27 27 THR E 104 104 LEU H Protein A 7 FT #SUB 27 27 THR E 105 105 GLY H Protein S 3 FT #SUB 28 28 HIS E 104 104 LEU H Protein B 3 FT #SUB 29 29 ALA E 104 104 LEU H Protein B 3 FT #SUB 29 29 ALA E 106 106 MET H Protein B 1 FT #SUB 30 30 PRO E 104 104 LEU H Protein S 1 FT #SUB 30 30 PRO E 105 105 GLY H Protein S 3 FT #SUB 30 30 PRO E 106 106 MET H Protein S 1 FT #SUB 30 30 PRO E 107 107 PRO H Protein B 4 FT #SUB 31 31 ALA E 63 63 LYS H Protein S 1 FT #SUB 31 31 ALA E 107 107 PRO H Protein B 2 FT #SUB 32 32 PRO E 68 68 TRP H Protein S 2 FT #SUB 32 32 PRO E 69 69 GLU H Protein S 1 FT #SUB 32 32 PRO E 107 107 PRO H Protein A 5 FT #SUB 33 33 THR E 66 66 GLU H Protein S 1 FT #SUB 35 35 ILE E 105 105 GLY H Protein S 1 FT #SUB 35 35 ILE E 107 107 PRO H Protein S 2 FT #SUB 40 40 PHE E 106 106 MET H Protein S 2 FT #SUB 43 43 TYR E 102 102 VAL H Protein B 1 FT #SUB 43 43 TYR E 105 105 GLY H Protein S 9 FT #SUB 43 43 TYR E 106 106 MET H Protein S 5 FT #SUB 63 63 LYS E 31 31 ALA H Protein S 1 FT #SUB 66 66 GLU E 33 33 THR H Protein S 1 FT #SUB 68 68 TRP E 32 32 PRO H Protein S 2 FT #SUB 69 69 GLU E 32 32 PRO H Protein S 1 FT #SUB 92 92 ARG E 118 118 ARG H Protein S 3 FT #SUB 92 92 ARG E 122 122 ASP H Protein S 1 FT #SUB 97 97 ASP E 97 97 ASP H Protein B 1 FT #SUB 97 97 ASP E 118 118 ARG H Protein S 7 FT #SUB 100 100 GLN E 101 101 THR H Protein S 3 FT #SUB 101 101 THR E 100 100 GLN H Protein S 3 FT #SUB 101 101 THR E 101 101 THR H Protein A 5 FT #SUB 102 102 VAL E 43 43 TYR H Protein S 1 FT #SUB 104 104 LEU E 27 27 THR H Protein A 7 FT #SUB 104 104 LEU E 28 28 HIS H Protein B 3 FT #SUB 104 104 LEU E 29 29 ALA H Protein B 3 FT #SUB 104 104 LEU E 30 30 PRO H Protein B 1 FT #SUB 105 105 GLY E 27 27 THR H Protein B 3 FT #SUB 105 105 GLY E 30 30 PRO H Protein B 2 FT #SUB 105 105 GLY E 35 35 ILE H Protein B 1 FT #SUB 105 105 GLY E 43 43 TYR H Protein B 8 FT #SUB 106 106 MET E 29 29 ALA H Protein B 1 FT #SUB 106 106 MET E 40 40 PHE H Protein S 2 FT #SUB 106 106 MET E 43 43 TYR H Protein S 5 FT #SUB 107 107 PRO E 30 30 PRO H Protein A 4 FT #SUB 107 107 PRO E 31 31 ALA H Protein S 2 FT #SUB 107 107 PRO E 32 32 PRO H Protein S 5 FT #SUB 107 107 PRO E 35 35 ILE H Protein S 2 FT #SUB 114 114 LEU E 44 44 THR H Protein S 1 FT #SUB 118 118 ARG E 92 92 ARG H Protein S 3 FT #SUB 118 118 ARG E 97 97 ASP H Protein S 8 FT #SUB 122 122 ASP E 92 92 ARG H Protein S 1 FT #SUB 28 28 HIS E 153 153 ARG I Protein S 2 FT #SUB 29 29 ALA E 149 149 PRO I Protein S 2 FT #SUB 31 31 ALA E 233 233 LEU I Protein S 1 FT #SUB 33 33 THR E 236 236 ASN I Protein S 1 FT #SUB 37 37 HIS E 26 26 ASP I Protein A 8 FT #SUB 40 40 PHE E 26 26 ASP I Protein S 11 FT #SUB 40 40 PHE E 27 27 PHE I Protein S 4 FT #SUB 20 20 GLN E 26 26 GLN K Protein S 2 FT #SUB 20 20 GLN E 27 27 THR K Protein S 2 FT #SUB 20 20 GLN E 28 28 HIS K Protein S 6 FT #SUB 21 21 PRO E 26 26 GLN K Protein B 2 FT #SUB 21 21 PRO E 27 27 THR K Protein A 5 FT #SUB 22 22 ALA E 24 24 HIS K Protein S 2 FT #SUB 22 22 ALA E 25 25 GLN K Protein A 4 FT #SUB 22 22 ALA E 26 26 GLN K Protein S 2 FT #SUB 23 23 LEU E 23 23 LEU K Protein B 1 FT #SUB 23 23 LEU E 25 25 GLN K Protein B 7 FT #SUB 23 23 LEU E 43 43 TYR K Protein S 2 FT #SUB 24 24 HIS E 22 22 ALA K Protein S 2 FT #SUB 24 24 HIS E 24 24 HIS K Protein S 6 FT #SUB 25 25 GLN E 22 22 ALA K Protein B 4 FT #SUB 25 25 GLN E 23 23 LEU K Protein A 7 FT #SUB 26 26 GLN E 20 20 GLN K Protein S 1 FT #SUB 26 26 GLN E 21 21 PRO K Protein B 2 FT #SUB 26 26 GLN E 22 22 ALA K Protein B 2 FT #SUB 27 27 THR E 20 20 GLN K Protein B 3 FT #SUB 27 27 THR E 21 21 PRO K Protein A 5 FT #SUB 27 27 THR E 22 22 ALA K Protein S 1 FT #SUB 27 27 THR E 23 23 LEU K Protein S 1 FT #SUB 28 28 HIS E 20 20 GLN K Protein S 6 FT #SUB 43 43 TYR E 23 23 LEU K Protein S 1 FT #HET 10 10 HIS E 3 3001 FRU C A 11 FT #HET 13 13 LEU E 3 3001 FRU C S 4 FT #HET 45 45 ARG E 9 3006 FRU H B 1 FT #HET 47 47 PRO E 9 3006 FRU H S 2 FT #HET 52 52 GLY E 1 3002 FRU B B 1 FT #HET 54 54 ALA E 1 3002 FRU B A 2 FT #HET 90 90 ARG E 6 4401 TLA F S 7 FT #HET 91 91 ARG E 6 4401 TLA F S 6 FT #HET 94 94 GLN E 6 4401 TLA F S 3 FT #HET 95 95 ASN E 6 4401 TLA F S 4 FT #HET 96 96 CYS E 9 3006 FRU H B 2 FT #HET 97 97 ASP E 9 3006 FRU H A 2 FT #HET 97 97 ASP E 10 3007 FRU H B 3 FT #HET 98 98 VAL E 10 3007 FRU H B 3 FT #HET 99 99 GLY E 9 3006 FRU H B 1 FT #HET 102 102 VAL E 10 3007 FRU H S 1 FT #HET 108 108 TYR E 6 4401 TLA F S 4 FT #HET 112 112 TRP E 6 4401 TLA F S 5 FT #HET 118 118 ARG E 10 3007 FRU H S 2 FT DISORDER 1 3 FT DISORDER 155 157 CC SEQUENCE 151 AA (ATOM); CC SIREEVHRHL GTVALMQPAL HQQTHAPAPT EITHTLFRAY TRVPHDVGGE ADVPIEYHEK CC EEEIWELNTF ATCECLAWRG VWTAEERRRK QNCDVGQTVY LGMPYYGRWL LTAARILVDK CC QFVTLTELHN KIVEMRERVA SGQGLGEYLP P CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ATOM ---SIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC *********************************************** CC SEQRES GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ATOM GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ************************************************** CC SEQRES TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ATOM TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ************************************************** CC SEQRES YLPPKAK CC ATOM YLPP--- CC **** SQ SEQUENCE 157 AA; MW; CN; MSSSIREEVH RHLGTVALMQ PALHQQTHAP APTEITHTLF RAYTRVPHDV GGEADVPIEY HEKEEEIWEL NTFATCECLA WRGVWTAEER RRKQNCDVGQ TVYLGMPYYG RWLLTAARIL VDKQFVTLTE LHNKIVEMRE RVASGQGLGE YLPPKAK // ID 2DD4F STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase gamma subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 164 164 ALA F 109 109 PHE A Protein B 1 FT #SUB 167 167 GLY F 106 106 SER A Protein B 3 FT #SUB 167 167 GLY F 108 108 THR A Protein B 5 FT #SUB 169 169 GLN F 109 109 PHE A Protein S 2 FT #SUB 153 153 ARG F 20 20 GLN B Protein S 3 FT #SUB 157 157 ARG F 13 13 LEU B Protein S 1 FT #SUB 158 158 TRP F 57 57 PRO B Protein S 6 FT #SUB 161 161 GLN F 161 161 GLN C Protein A 9 FT #SUB 161 161 GLN F 164 164 ALA C Protein S 2 FT #SUB 161 161 GLN F 165 165 GLU C Protein S 3 FT #SUB 164 164 ALA F 161 161 GLN C Protein A 2 FT #SUB 165 165 GLU F 161 161 GLN C Protein A 3 FT #SUB 169 169 GLN F 169 169 GLN C Protein S 9 FT #SUB 169 169 GLN F 170 170 LEU C Protein S 4 FT #SUB 169 169 GLN F 172 172 SER C Protein S 1 FT #SUB 170 170 LEU F 169 169 GLN C Protein B 3 FT #SUB 172 172 SER F 169 169 GLN C Protein B 1 FT #SUB 42 42 GLY F 12 12 ARG D Protein B 1 FT #SUB 43 43 LEU F 12 12 ARG D Protein A 2 FT #SUB 83 83 GLU F 69 69 ARG D Protein A 9 FT #SUB 97 97 VAL F 22 22 ILE D Protein S 1 FT #SUB 103 103 GLN F 20 20 THR D Protein B 2 FT #SUB 103 103 GLN F 21 21 GLY D Protein A 3 FT #SUB 104 104 PHE F 15 15 HIS D Protein S 3 FT #SUB 104 104 PHE F 19 19 ALA D Protein A 4 FT #SUB 104 104 PHE F 20 20 THR D Protein S 3 FT #SUB 104 104 PHE F 23 23 GLY D Protein B 1 FT #SUB 104 104 PHE F 24 24 ASP D Protein B 1 FT #SUB 110 110 TYR F 24 24 ASP D Protein A 6 FT #SUB 111 111 CYS F 23 23 GLY D Protein S 1 FT #SUB 111 111 CYS F 24 24 ASP D Protein A 6 FT #SUB 111 111 CYS F 26 26 GLN D Protein A 6 FT #SUB 112 112 ASN F 71 71 VAL D Protein S 1 FT #SUB 112 112 ASN F 72 72 TYR D Protein S 3 FT #SUB 114 114 ARG F 69 69 ARG D Protein S 5 FT #SUB 114 114 ARG F 93 93 SER D Protein S 1 FT #SUB 114 114 ARG F 115 115 GLU D Protein S 3 FT #SUB 129 129 THR F 57 57 MET D Protein S 1 FT #SUB 130 130 LEU F 55 55 ARG D Protein S 8 FT #SUB 130 130 LEU F 57 57 MET D Protein S 1 FT #SUB 131 131 CYS F 55 55 ARG D Protein S 1 FT #SUB 156 156 VAL F 59 59 TYR D Protein S 1 FT #SUB 156 156 VAL F 98 98 GLN D Protein B 3 FT #SUB 156 156 VAL F 102 102 TRP D Protein B 4 FT #SUB 156 156 VAL F 114 114 LEU D Protein A 3 FT #SUB 157 157 ARG F 102 102 TRP D Protein A 19 FT #SUB 157 157 ARG F 104 104 GLU D Protein S 10 FT #SUB 157 157 ARG F 105 105 TYR D Protein B 2 FT #SUB 158 158 TRP F 104 104 GLU D Protein S 1 FT #SUB 159 159 PRO F 98 98 GLN D Protein S 2 FT #SUB 159 159 PRO F 105 105 TYR D Protein S 2 FT #SUB 160 160 ARG F 109 109 PHE D Protein S 10 FT #SUB 160 160 ARG F 112 112 ASP D Protein S 10 FT #SUB 172 172 SER F 108 108 THR D Protein A 4 FT #SUB 172 172 SER F 109 109 PHE D Protein A 6 FT #SUB 173 173 GLU F 111 111 ASN D Protein B 4 FT #SUB 174 174 VAL F 112 112 ASP D Protein B 1 FT #SUB 175 175 GLN F 111 111 ASN D Protein A 5 FT #SUB 175 175 GLN F 113 113 THR D Protein S 6 FT #SUB 176 176 ILE F 112 112 ASP D Protein A 10 FT #SUB 176 176 ILE F 113 113 THR D Protein B 2 FT #SUB 177 177 ARG F 95 95 VAL D Protein S 4 FT #SUB 177 177 ARG F 113 113 THR D Protein A 9 FT #SUB 177 177 ARG F 115 115 GLU D Protein S 5 FT #SUB 178 178 VAL F 113 113 THR D Protein B 1 FT #SUB 178 178 VAL F 114 114 LEU D Protein B 3 FT #SUB 178 178 VAL F 115 115 GLU D Protein B 4 FT #SUB 179 179 ALA F 115 115 GLU D Protein B 2 FT #SUB 180 180 ASP F 57 57 MET D Protein S 2 FT #SUB 180 180 ASP F 59 59 TYR D Protein S 5 FT #SUB 180 180 ASP F 115 115 GLU D Protein B 2 FT #SUB 180 180 ASP F 116 116 THR D Protein A 6 FT #SUB 182 182 ASN F 55 55 ARG D Protein A 10 FT #SUB 182 182 ASN F 57 57 MET D Protein S 5 FT #SUB 182 182 ASN F 116 116 THR D Protein S 5 FT #SUB 182 182 ASN F 117 117 GLU D Protein S 9 FT #SUB 183 183 GLN F 55 55 ARG D Protein S 4 FT #SUB 183 183 GLN F 72 72 TYR D Protein A 2 FT #SUB 183 183 GLN F 91 91 PHE D Protein S 4 FT #SUB 183 183 GLN F 117 117 GLU D Protein S 6 FT #SUB 183 183 GLN F 119 119 PRO D Protein S 1 FT #SUB 184 184 LYS F 24 24 ASP D Protein S 5 FT #SUB 184 184 LYS F 28 28 PHE D Protein S 1 FT #SUB 184 184 LYS F 72 72 TYR D Protein A 5 FT #SUB 184 184 LYS F 74 74 SER D Protein S 4 FT #SUB 184 184 LYS F 80 80 GLU D Protein S 6 FT #SUB 185 185 THR F 72 72 TYR D Protein A 2 FT #SUB 185 185 THR F 117 117 GLU D Protein A 8 FT #SUB 24 24 VAL F 142 142 VAL E Protein S 1 FT #SUB 24 24 VAL F 152 152 LEU E Protein S 1 FT #SUB 27 27 PHE F 68 68 TRP E Protein S 11 FT #SUB 27 27 PHE F 106 106 MET E Protein S 2 FT #SUB 27 27 PHE F 107 107 PRO E Protein S 2 FT #SUB 27 27 PHE F 110 110 GLY E Protein S 1 FT #SUB 27 27 PHE F 113 113 LEU E Protein B 2 FT #SUB 28 28 GLU F 68 68 TRP E Protein S 2 FT #SUB 28 28 GLU F 151 151 TYR E Protein A 6 FT #SUB 29 29 ILE F 138 138 MET E Protein A 2 FT #SUB 29 29 ILE F 142 142 VAL E Protein S 1 FT #SUB 30 30 LEU F 113 113 LEU E Protein S 4 FT #SUB 30 30 LEU F 114 114 LEU E Protein S 1 FT #SUB 31 31 GLU F 68 68 TRP E Protein S 1 FT #SUB 31 31 GLU F 71 71 ASN E Protein S 5 FT #SUB 31 31 GLU F 72 72 THR E Protein S 1 FT #SUB 31 31 GLU F 113 113 LEU E Protein B 3 FT #SUB 31 31 GLU F 151 151 TYR E Protein S 6 FT #SUB 32 32 MET F 138 138 MET E Protein S 1 FT #SUB 32 32 MET F 141 141 ARG E Protein S 1 FT #SUB 32 32 MET F 148 148 LEU E Protein S 3 FT #SUB 32 32 MET F 149 149 GLY E Protein S 2 FT #SUB 32 32 MET F 151 151 TYR E Protein S 2 FT #SUB 33 33 ALA F 134 134 LYS E Protein A 4 FT #SUB 33 33 ALA F 138 138 MET E Protein B 1 FT #SUB 34 34 VAL F 117 117 ALA E Protein S 1 FT #SUB 35 35 ARG F 71 71 ASN E Protein S 1 FT #SUB 35 35 ARG F 75 75 THR E Protein S 1 FT #SUB 36 36 GLU F 134 134 LYS E Protein S 4 FT #SUB 36 36 GLU F 138 138 MET E Protein S 1 FT #SUB 36 36 GLU F 141 141 ARG E Protein S 8 FT #SUB 37 37 LEU F 131 131 LEU E Protein S 2 FT #SUB 37 37 LEU F 134 134 LYS E Protein S 3 FT #SUB 40 40 GLU F 134 134 LYS E Protein S 3 FT #SUB 41 41 LYS F 125 125 PHE E Protein S 3 FT #SUB 41 41 LYS F 126 126 VAL E Protein S 2 FT #SUB 41 41 LYS F 130 130 GLU E Protein S 6 FT #SUB 43 43 LEU F 82 82 ARG E Protein B 2 FT #SUB 43 43 LEU F 84 84 VAL E Protein S 1 FT #SUB 43 43 LEU F 120 120 LEU E Protein S 1 FT #SUB 43 43 LEU F 125 125 PHE E Protein S 3 FT #SUB 44 44 PHE F 75 75 THR E Protein S 3 FT #SUB 44 44 PHE F 78 78 CYS E Protein S 2 FT #SUB 44 44 PHE F 79 79 LEU E Protein S 4 FT #SUB 44 44 PHE F 82 82 ARG E Protein S 1 FT #SUB 48 48 ASP F 78 78 CYS E Protein B 2 FT #SUB 48 48 ASP F 81 81 TRP E Protein A 6 FT #SUB 48 48 ASP F 82 82 ARG E Protein S 9 FT #SUB 49 49 HIS F 71 71 ASN E Protein S 7 FT #SUB 49 49 HIS F 74 74 ALA E Protein S 4 FT #SUB 49 49 HIS F 75 75 THR E Protein S 6 FT #SUB 49 49 HIS F 78 78 CYS E Protein B 2 FT #SUB 52 52 TRP F 77 77 GLU E Protein S 8 FT #SUB 52 52 TRP F 78 78 CYS E Protein S 1 FT #SUB 52 52 TRP F 81 81 TRP E Protein S 1 FT #SUB 53 53 LYS F 71 71 ASN E Protein S 4 FT #SUB 53 53 LYS F 74 74 ALA E Protein S 1 FT #SUB 53 53 LYS F 150 150 GLU E Protein S 1 FT #SUB 56 56 VAL F 73 73 PHE E Protein S 2 FT #SUB 101 101 PRO F 81 81 TRP E Protein B 1 FT #SUB 102 102 THR F 81 81 TRP E Protein A 6 FT #SUB 106 106 THR F 77 77 GLU E Protein S 1 FT #SUB 107 107 PRO F 77 77 GLU E Protein A 6 FT #SUB 107 107 PRO F 80 80 ALA E Protein S 2 FT #SUB 107 107 PRO F 81 81 TRP E Protein S 1 FT #SUB 107 107 PRO F 87 87 ALA E Protein B 2 FT #SUB 108 108 SER F 77 77 GLU E Protein A 10 FT #SUB 108 108 SER F 87 87 ALA E Protein A 2 FT #SUB 108 108 SER F 90 90 ARG E Protein S 3 FT #SUB 108 108 SER F 91 91 ARG E Protein B 3 FT #SUB 110 110 TYR F 87 87 ALA E Protein S 1 FT #SUB 110 110 TYR F 88 88 GLU E Protein S 2 FT #SUB 110 110 TYR F 91 91 ARG E Protein S 6 FT #SUB 129 129 THR F 48 48 HIS E Protein B 1 FT #SUB 129 129 THR F 50 50 VAL E Protein B 1 FT #SUB 129 129 THR F 51 51 GLY E Protein S 2 FT #SUB 130 130 LEU F 48 48 HIS E Protein A 10 FT #SUB 130 130 LEU F 49 49 ASP E Protein S 1 FT #SUB 131 131 CYS F 95 95 ASN E Protein S 1 FT #SUB 132 132 SER F 108 108 TYR E Protein S 4 FT #SUB 136 136 ARG F 73 73 PHE E Protein S 6 FT #SUB 141 141 GLN F 73 73 PHE E Protein S 6 FT #SUB 141 141 GLN F 109 109 TYR E Protein S 1 FT #SUB 143 143 PRO F 62 62 GLU E Protein S 1 FT #SUB 144 144 GLU F 61 61 HIS E Protein S 2 FT #SUB 144 144 GLU F 62 62 GLU E Protein S 1 FT #SUB 144 144 GLU F 63 63 LYS E Protein S 10 FT #SUB 145 145 TRP F 60 60 TYR E Protein S 4 FT #SUB 145 145 TRP F 61 61 HIS E Protein A 3 FT #SUB 145 145 TRP F 62 62 GLU E Protein S 4 FT #SUB 147 147 ARG F 108 108 TYR E Protein S 11 FT #SUB 147 147 ARG F 109 109 TYR E Protein S 1 FT #SUB 148 148 SER F 60 60 TYR E Protein S 1 FT #SUB 149 149 PRO F 104 104 LEU E Protein S 1 FT #SUB 150 150 ASN F 55 55 ASP E Protein A 7 FT #SUB 150 150 ASN F 56 56 VAL E Protein S 4 FT #SUB 150 150 ASN F 58 58 ILE E Protein S 5 FT #SUB 150 150 ASN F 60 60 TYR E Protein A 5 FT #SUB 151 151 TYR F 60 60 TYR E Protein A 4 FT #SUB 152 152 ARG F 48 48 HIS E Protein S 1 FT #SUB 152 152 ARG F 50 50 VAL E Protein S 2 FT #SUB 152 152 ARG F 51 51 GLY E Protein B 2 FT #SUB 152 152 ARG F 103 103 TYR E Protein S 4 FT #SUB 153 153 ARG F 50 50 VAL E Protein A 5 FT #SUB 153 153 ARG F 52 52 GLY E Protein B 3 FT #SUB 153 153 ARG F 53 53 GLU E Protein A 13 FT #SUB 153 153 ARG F 55 55 ASP E Protein S 4 FT #SUB 153 153 ARG F 104 104 LEU E Protein S 1 FT #SUB 154 154 ARG F 55 55 ASP E Protein S 3 FT #SUB 154 154 ARG F 56 56 VAL E Protein S 4 FT #SUB 154 154 ARG F 57 57 PRO E Protein S 5 FT #SUB 154 154 ARG F 60 60 TYR E Protein S 2 FT #SUB 156 156 VAL F 52 52 GLY E Protein S 1 FT #SUB 157 157 ARG F 52 52 GLY E Protein S 2 FT #SUB 158 158 TRP F 53 53 GLU E Protein S 1 FT #SUB 158 158 TRP F 54 54 ALA E Protein S 1 FT #SUB 165 165 GLU F 57 57 PRO E Protein S 3 FT #SUB 166 166 PHE F 60 60 TYR E Protein S 4 FT #SUB 186 186 ARG F 91 91 ARG E Protein S 1 FT #SUB 211 211 ARG F 62 62 GLU E Protein S 8 FT #SUB 230 230 ARG F 60 60 TYR E Protein S 2 FT #SUB 230 230 ARG F 62 62 GLU E Protein S 4 FT #SUB 231 231 PRO F 59 59 GLU E Protein S 2 FT #SUB 231 231 PRO F 60 60 TYR E Protein S 1 FT #SUB 231 231 PRO F 61 61 HIS E Protein A 5 FT #SUB 231 231 PRO F 62 62 GLU E Protein B 3 FT #SUB 232 232 VAL F 62 62 GLU E Protein B 2 FT #SUB 233 233 LEU F 61 61 HIS E Protein S 1 FT #SUB 233 233 LEU F 62 62 GLU E Protein A 5 FT #SUB 233 233 LEU F 63 63 LYS E Protein A 6 FT #SUB 233 233 LEU F 64 64 GLU E Protein B 3 FT #SUB 234 234 LYS F 64 64 GLU E Protein A 7 FT #SUB 235 235 ALA F 64 64 GLU E Protein A 7 FT #SUB 235 235 ALA F 65 65 GLU E Protein S 1 FT #SUB 235 235 ALA F 66 66 GLU E Protein A 8 FT #SUB 236 236 ASN F 66 66 GLU E Protein A 8 FT #SUB 237 237 ARG F 66 66 GLU E Protein A 8 FT #SUB 237 237 ARG F 67 67 ILE E Protein B 4 FT #SUB 237 237 ARG F 151 151 TYR E Protein S 8 FT #SUB 238 238 PRO F 64 64 GLU E Protein S 2 FT #SUB 238 238 PRO F 65 65 GLU E Protein A 2 FT #SUB 238 238 PRO F 67 67 ILE E Protein B 4 FT #SUB 239 239 VAL F 67 67 ILE E Protein B 2 FT #SUB 30 30 LEU F 51 51 LEU G Protein S 1 FT #SUB 26 26 ASP F 37 37 HIS H Protein S 8 FT #SUB 26 26 ASP F 40 40 PHE H Protein S 12 FT #SUB 27 27 PHE F 40 40 PHE H Protein S 4 FT #SUB 149 149 PRO F 29 29 ALA H Protein S 2 FT #SUB 153 153 ARG F 28 28 HIS H Protein S 3 FT #SUB 233 233 LEU F 31 31 ALA H Protein S 1 FT #SUB 236 236 ASN F 33 33 THR H Protein B 1 FT #HET 108 108 SER F 6 4401 TLA F A 4 FT #HET 131 131 CYS F 6 4401 TLA F S 4 FT #HET 132 132 SER F 6 4401 TLA F A 9 FT #HET 133 133 CYS F 6 4401 TLA F A 5 FT #HET 136 136 ARG F 6 4401 TLA F S 7 FT #HET 157 157 ARG F 1 3002 FRU B S 11 FT #HET 177 177 ARG F 7 4501 TLA F S 8 FT #HET 186 186 ARG F 6 4401 TLA F S 1 FT DISORDER 1 23 FT DISORDER 240 243 CC SEQUENCE 216 AA (ATOM); CC VSDFEILEMA VRELAIEKGL FSAEDHRVWK DYVHTLGPLP AARLVAKAWL DPEYKKLCIE CC DGVEASKAVG VNWVTSPPTQ FGTPSDYCNL RVLADSPTLK HVVVCTLCSC YPRPILGQSP CC EWYRSPNYRR RLVRWPRQVL AEFGLQLPSE VQIRVADSNQ KTRYIVMPVR PEGTDGWTED CC QLAEIVTRDC LIGVAVPKPG ITVNAKRPVL KANRPV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSADHDHDHDHDHDHKPAPMVEEVSDFEILEMAVRELAIEKGLFSAEDHR CC ATOM -----------------------VSDFEILEMAVRELAIEKGLFSAEDHR CC *************************** CC SEQRES VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ATOM VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ************************************************** CC SEQRES PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ATOM PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ************************************************** CC SEQRES YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ATOM YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ************************************************** CC SEQRES TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPVHHDH CC ATOM TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPV---- CC *************************************** SQ SEQUENCE 243 AA; MW; CN; MSADHDHDHD HDHDHKPAPM VEEVSDFEIL EMAVRELAIE KGLFSAEDHR VWKDYVHTLG PLPAARLVAK AWLDPEYKKL CIEDGVEASK AVGVNWVTSP PTQFGTPSDY CNLRVLADSP TLKHVVVCTL CSCYPRPILG QSPEWYRSPN YRRRLVRWPR QVLAEFGLQL PSEVQIRVAD SNQKTRYIVM PVRPEGTDGW TEDQLAEIVT RDCLIGVAVP KPGITVNAKR PVLKANRPVH HDH // ID 2DD4G STANDARD; PRT; 126 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase alpha subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 8 8 PRO G 9 9 VAL D Protein A 3 FT #SUB 8 8 PRO G 10 10 TRP D Protein S 4 FT #SUB 9 9 VAL G 8 8 PRO D Protein B 2 FT #SUB 49 49 PRO G 132 132 HIS E Protein A 10 FT #SUB 49 49 PRO G 135 135 ILE E Protein S 2 FT #SUB 49 49 PRO G 136 136 VAL E Protein S 2 FT #SUB 49 49 PRO G 139 139 ARG E Protein S 1 FT #SUB 50 50 ASP G 132 132 HIS E Protein B 2 FT #SUB 51 51 LEU G 114 114 LEU E Protein S 1 FT #SUB 51 51 LEU G 128 128 LEU E Protein B 2 FT #SUB 51 51 LEU G 132 132 HIS E Protein B 5 FT #SUB 52 52 PHE G 114 114 LEU E Protein S 2 FT #SUB 52 52 PHE G 117 117 ALA E Protein S 3 FT #SUB 52 52 PHE G 118 118 ARG E Protein S 7 FT #SUB 52 52 PHE G 128 128 LEU E Protein S 1 FT #SUB 52 52 PHE G 131 131 LEU E Protein S 2 FT #SUB 53 53 TYR G 128 128 LEU E Protein A 3 FT #SUB 53 53 TYR G 132 132 HIS E Protein B 1 FT #SUB 78 78 GLU G 128 128 LEU E Protein B 2 FT #SUB 79 79 ASP G 127 127 THR E Protein S 1 FT #SUB 79 79 ASP G 129 129 THR E Protein S 5 FT #SUB 82 82 PHE G 118 118 ARG E Protein S 2 FT #SUB 82 82 PHE G 121 121 VAL E Protein S 3 FT #SUB 82 82 PHE G 122 122 ASP E Protein S 1 FT #SUB 82 82 PHE G 124 124 GLN E Protein B 3 FT #SUB 82 82 PHE G 128 128 LEU E Protein S 1 FT #SUB 83 83 GLY G 124 124 GLN E Protein B 3 FT #SUB 84 84 ASN G 124 124 GLN E Protein S 4 FT #SUB 84 84 ASN G 127 127 THR E Protein S 4 FT #SUB 121 121 ARG G 129 129 THR E Protein S 6 FT #SUB 51 51 LEU G 30 30 LEU F Protein S 1 FT #SUB 8 8 PRO G 124 124 GLN H Protein S 3 FT #SUB 10 10 TRP G 123 123 LYS H Protein S 11 FT #SUB 12 12 ARG G 82 82 ARG H Protein A 5 FT #SUB 12 12 ARG G 83 83 GLY H Protein A 9 FT #SUB 12 12 ARG G 125 125 PHE H Protein S 2 FT #SUB 47 47 ASP G 41 41 ARG H Protein S 7 FT #SUB 50 50 ASP G 46 46 VAL H Protein B 1 FT #SUB 51 51 LEU G 44 44 THR H Protein S 1 FT #SUB 53 53 TYR G 48 48 HIS H Protein S 1 FT #SUB 53 53 TYR G 88 88 GLU H Protein S 5 FT #SUB 53 53 TYR G 91 91 ARG H Protein S 1 FT #SUB 53 53 TYR G 92 92 ARG H Protein S 8 FT #SUB 53 53 TYR G 96 96 CYS H Protein S 2 FT #SUB 54 54 THR G 46 46 VAL H Protein S 1 FT #SUB 54 54 THR G 48 48 HIS H Protein B 2 FT #SUB 55 55 ARG G 48 48 HIS H Protein S 2 FT #SUB 55 55 ARG G 88 88 GLU H Protein S 6 FT #SUB 55 55 ARG G 91 91 ARG H Protein S 3 FT #SUB 57 57 MET G 49 49 ASP H Protein A 7 FT #SUB 58 58 THR G 49 49 ASP H Protein A 7 FT #SUB 59 59 TYR G 51 51 GLY H Protein S 3 FT #SUB 77 77 ALA G 88 88 GLU H Protein S 2 FT #SUB 80 80 GLU G 86 86 THR H Protein B 1 FT #SUB 80 80 GLU G 88 88 GLU H Protein S 2 FT #SUB 80 80 GLU G 89 89 GLU H Protein B 1 FT #SUB 81 81 ALA G 88 88 GLU H Protein A 5 FT #SUB 81 81 ALA G 89 89 GLU H Protein B 6 FT #SUB 81 81 ALA G 92 92 ARG H Protein A 4 FT #SUB 82 82 PHE G 92 92 ARG H Protein S 12 FT #SUB 83 83 GLY G 89 89 GLU H Protein B 2 FT #SUB 85 85 GLU G 86 86 THR H Protein S 1 FT #SUB 102 102 TRP G 52 52 GLY H Protein S 2 FT #SUB 12 12 ARG G 42 42 GLY I Protein S 1 FT #SUB 12 12 ARG G 43 43 LEU I Protein S 2 FT #SUB 15 15 HIS G 104 104 PHE I Protein S 2 FT #SUB 19 19 ALA G 104 104 PHE I Protein A 4 FT #SUB 20 20 THR G 103 103 GLN I Protein B 2 FT #SUB 20 20 THR G 104 104 PHE I Protein A 3 FT #SUB 21 21 GLY G 103 103 GLN I Protein B 3 FT #SUB 22 22 ILE G 97 97 VAL I Protein B 2 FT #SUB 23 23 GLY G 97 97 VAL I Protein B 1 FT #SUB 23 23 GLY G 104 104 PHE I Protein B 1 FT #SUB 23 23 GLY G 111 111 CYS I Protein B 1 FT #SUB 24 24 ASP G 104 104 PHE I Protein B 1 FT #SUB 24 24 ASP G 110 110 TYR I Protein A 7 FT #SUB 24 24 ASP G 111 111 CYS I Protein B 6 FT #SUB 24 24 ASP G 184 184 LYS I Protein S 5 FT #SUB 26 26 GLN G 111 111 CYS I Protein S 6 FT #SUB 28 28 PHE G 184 184 LYS I Protein S 1 FT #SUB 55 55 ARG G 130 130 LEU I Protein A 7 FT #SUB 55 55 ARG G 131 131 CYS I Protein S 1 FT #SUB 55 55 ARG G 182 182 ASN I Protein A 9 FT #SUB 55 55 ARG G 183 183 GLN I Protein A 5 FT #SUB 57 57 MET G 129 129 THR I Protein S 1 FT #SUB 57 57 MET G 180 180 ASP I Protein S 1 FT #SUB 57 57 MET G 182 182 ASN I Protein S 5 FT #SUB 59 59 TYR G 156 156 VAL I Protein S 1 FT #SUB 59 59 TYR G 180 180 ASP I Protein S 5 FT #SUB 69 69 ARG G 83 83 GLU I Protein S 9 FT #SUB 69 69 ARG G 114 114 ARG I Protein S 5 FT #SUB 71 71 VAL G 112 112 ASN I Protein B 1 FT #SUB 72 72 TYR G 112 112 ASN I Protein S 3 FT #SUB 72 72 TYR G 183 183 GLN I Protein S 2 FT #SUB 72 72 TYR G 184 184 LYS I Protein S 6 FT #SUB 72 72 TYR G 185 185 THR I Protein S 2 FT #SUB 74 74 SER G 184 184 LYS I Protein S 3 FT #SUB 80 80 GLU G 184 184 LYS I Protein S 6 FT #SUB 91 91 PHE G 183 183 GLN I Protein S 5 FT #SUB 93 93 SER G 114 114 ARG I Protein S 1 FT #SUB 95 95 VAL G 177 177 ARG I Protein S 4 FT #SUB 98 98 GLN G 156 156 VAL I Protein S 4 FT #SUB 98 98 GLN G 159 159 PRO I Protein S 2 FT #SUB 102 102 TRP G 156 156 VAL I Protein S 6 FT #SUB 102 102 TRP G 157 157 ARG I Protein S 18 FT #SUB 104 104 GLU G 157 157 ARG I Protein S 10 FT #SUB 104 104 GLU G 158 158 TRP I Protein S 1 FT #SUB 105 105 TYR G 157 157 ARG I Protein S 2 FT #SUB 105 105 TYR G 159 159 PRO I Protein S 2 FT #SUB 108 108 THR G 172 172 SER I Protein A 4 FT #SUB 109 109 PHE G 160 160 ARG I Protein S 10 FT #SUB 109 109 PHE G 172 172 SER I Protein A 6 FT #SUB 111 111 ASN G 173 173 GLU I Protein S 4 FT #SUB 111 111 ASN G 175 175 GLN I Protein B 5 FT #SUB 112 112 ASP G 160 160 ARG I Protein S 10 FT #SUB 112 112 ASP G 174 174 VAL I Protein S 1 FT #SUB 112 112 ASP G 175 175 GLN I Protein S 1 FT #SUB 112 112 ASP G 176 176 ILE I Protein A 11 FT #SUB 113 113 THR G 175 175 GLN I Protein S 5 FT #SUB 113 113 THR G 176 176 ILE I Protein A 4 FT #SUB 113 113 THR G 177 177 ARG I Protein A 9 FT #SUB 113 113 THR G 178 178 VAL I Protein B 1 FT #SUB 114 114 LEU G 156 156 VAL I Protein S 3 FT #SUB 114 114 LEU G 178 178 VAL I Protein A 4 FT #SUB 115 115 GLU G 114 114 ARG I Protein S 3 FT #SUB 115 115 GLU G 177 177 ARG I Protein S 5 FT #SUB 115 115 GLU G 178 178 VAL I Protein B 3 FT #SUB 115 115 GLU G 179 179 ALA I Protein B 2 FT #SUB 115 115 GLU G 180 180 ASP I Protein B 1 FT #SUB 116 116 THR G 180 180 ASP I Protein A 5 FT #SUB 116 116 THR G 182 182 ASN I Protein S 5 FT #SUB 117 117 GLU G 182 182 ASN I Protein A 9 FT #SUB 117 117 GLU G 183 183 GLN I Protein A 6 FT #SUB 117 117 GLU G 185 185 THR I Protein S 8 FT #SUB 119 119 PRO G 183 183 GLN I Protein S 1 FT #SUB 58 58 THR G 9 9 VAL K Protein B 2 FT #SUB 58 58 THR G 12 12 HIS K Protein S 1 FT #SUB 59 59 TYR G 6 6 ARG K Protein B 4 FT #SUB 60 60 THR G 6 6 ARG K Protein B 3 FT #SUB 61 61 ARG G 5 5 ILE K Protein B 2 FT #SUB 61 61 ARG G 6 6 ARG K Protein B 6 FT #SUB 61 61 ARG G 9 9 VAL K Protein A 2 FT #SUB 62 62 GLY G 5 5 ILE K Protein B 2 FT #SUB 62 62 GLY G 6 6 ARG K Protein B 1 FT #SUB 63 63 ALA G 6 6 ARG K Protein S 1 FT #SUB 101 101 LEU G 6 6 ARG K Protein B 4 FT #SUB 101 101 LEU G 10 10 HIS K Protein B 2 FT #SUB 103 103 PRO G 10 10 HIS K Protein S 5 FT #SUB 104 104 GLU G 59 59 GLU K Protein A 5 FT #SUB 106 106 SER G 167 167 GLY L Protein S 3 FT #SUB 108 108 THR G 167 167 GLY L Protein S 6 FT #SUB 109 109 PHE G 164 164 ALA L Protein S 1 FT #SUB 109 109 PHE G 169 169 GLN L Protein S 2 FT #HET 52 52 PHE G 10 3007 FRU H A 4 FT #HET 68 68 VAL G 12 5501 TLA I S 5 FT DISORDER 1 6 CC SEQUENCE 120 AA (ATOM); CC KPVWDRTHHA KMATGIGDPQ CFKGMAGKSK FNVGDRVRIK DLPDLFYTRT MTYTRGATGT CC IVRLVYESPA AEDEAFGNEE NVEWFYSIVF AQKDLWPEYS DTFANDTLET EIPERYLEKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSDSHHKPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ATOM ------KPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ******************************************** CC SEQRES LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ATOM LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ************************************************** CC SEQRES LWPEYSDTFANDTLETEIPERYLEKA CC ATOM LWPEYSDTFANDTLETEIPERYLEKA CC ************************** SQ SEQUENCE 126 AA; MW; CN; MSDSHHKPVW DRTHHAKMAT GIGDPQCFKG MAGKSKFNVG DRVRIKDLPD LFYTRTMTYT RGATGTIVRL VYESPAAEDE AFGNEENVEW FYSIVFAQKD LWPEYSDTFA NDTLETEIPE RYLEKA // ID 2DD4H STANDARD; PRT; 157 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase beta subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 20 20 GLN H 26 26 GLN B Protein S 1 FT #SUB 20 20 GLN H 27 27 THR B Protein S 3 FT #SUB 20 20 GLN H 28 28 HIS B Protein S 6 FT #SUB 21 21 PRO H 26 26 GLN B Protein B 2 FT #SUB 21 21 PRO H 27 27 THR B Protein A 5 FT #SUB 22 22 ALA H 24 24 HIS B Protein S 3 FT #SUB 22 22 ALA H 25 25 GLN B Protein A 4 FT #SUB 22 22 ALA H 26 26 GLN B Protein S 2 FT #SUB 22 22 ALA H 27 27 THR B Protein B 1 FT #SUB 23 23 LEU H 23 23 LEU B Protein B 1 FT #SUB 23 23 LEU H 24 24 HIS B Protein B 2 FT #SUB 23 23 LEU H 25 25 GLN B Protein A 9 FT #SUB 23 23 LEU H 27 27 THR B Protein S 1 FT #SUB 23 23 LEU H 43 43 TYR B Protein S 2 FT #SUB 24 24 HIS H 22 22 ALA B Protein S 3 FT #SUB 24 24 HIS H 24 24 HIS B Protein S 7 FT #SUB 25 25 GLN H 22 22 ALA B Protein B 4 FT #SUB 25 25 GLN H 23 23 LEU B Protein A 7 FT #SUB 26 26 GLN H 20 20 GLN B Protein S 1 FT #SUB 26 26 GLN H 21 21 PRO B Protein B 2 FT #SUB 26 26 GLN H 22 22 ALA B Protein B 3 FT #SUB 27 27 THR H 20 20 GLN B Protein B 3 FT #SUB 27 27 THR H 21 21 PRO B Protein A 5 FT #SUB 27 27 THR H 22 22 ALA B Protein S 1 FT #SUB 27 27 THR H 23 23 LEU B Protein S 1 FT #SUB 28 28 HIS H 20 20 GLN B Protein S 8 FT #SUB 43 43 TYR H 23 23 LEU B Protein S 2 FT #SUB 114 114 LEU H 51 51 LEU D Protein S 1 FT #SUB 114 114 LEU H 52 52 PHE D Protein B 2 FT #SUB 117 117 ALA H 52 52 PHE D Protein A 3 FT #SUB 118 118 ARG H 52 52 PHE D Protein A 9 FT #SUB 118 118 ARG H 82 82 PHE D Protein S 2 FT #SUB 121 121 VAL H 82 82 PHE D Protein S 3 FT #SUB 122 122 ASP H 82 82 PHE D Protein S 2 FT #SUB 124 124 GLN H 82 82 PHE D Protein S 3 FT #SUB 124 124 GLN H 83 83 GLY D Protein S 3 FT #SUB 124 124 GLN H 84 84 ASN D Protein S 3 FT #SUB 127 127 THR H 79 79 ASP D Protein S 1 FT #SUB 127 127 THR H 84 84 ASN D Protein A 3 FT #SUB 127 127 THR H 86 86 GLU D Protein S 1 FT #SUB 128 128 LEU H 51 51 LEU D Protein S 2 FT #SUB 128 128 LEU H 52 52 PHE D Protein S 2 FT #SUB 128 128 LEU H 53 53 TYR D Protein S 3 FT #SUB 128 128 LEU H 78 78 GLU D Protein S 2 FT #SUB 128 128 LEU H 82 82 PHE D Protein S 1 FT #SUB 129 129 THR H 79 79 ASP D Protein A 5 FT #SUB 129 129 THR H 121 121 ARG D Protein S 6 FT #SUB 131 131 LEU H 51 51 LEU D Protein S 1 FT #SUB 131 131 LEU H 52 52 PHE D Protein S 2 FT #SUB 132 132 HIS H 49 49 PRO D Protein A 8 FT #SUB 132 132 HIS H 50 50 ASP D Protein S 1 FT #SUB 132 132 HIS H 51 51 LEU D Protein S 5 FT #SUB 132 132 HIS H 53 53 TYR D Protein S 2 FT #SUB 135 135 ILE H 49 49 PRO D Protein S 2 FT #SUB 136 136 VAL H 49 49 PRO D Protein S 2 FT #SUB 139 139 ARG H 49 49 PRO D Protein S 1 FT #SUB 18 18 LEU H 22 22 ALA E Protein B 1 FT #SUB 18 18 LEU H 23 23 LEU E Protein B 2 FT #SUB 18 18 LEU H 24 24 HIS E Protein A 8 FT #SUB 18 18 LEU H 25 25 GLN E Protein S 3 FT #SUB 22 22 ALA H 18 18 LEU E Protein B 1 FT #SUB 23 23 LEU H 18 18 LEU E Protein B 2 FT #SUB 24 24 HIS H 18 18 LEU E Protein A 8 FT #SUB 25 25 GLN H 18 18 LEU E Protein A 3 FT #SUB 27 27 THR H 104 104 LEU E Protein A 7 FT #SUB 27 27 THR H 105 105 GLY E Protein S 3 FT #SUB 28 28 HIS H 104 104 LEU E Protein B 3 FT #SUB 29 29 ALA H 104 104 LEU E Protein B 3 FT #SUB 29 29 ALA H 106 106 MET E Protein B 1 FT #SUB 30 30 PRO H 104 104 LEU E Protein S 1 FT #SUB 30 30 PRO H 105 105 GLY E Protein S 2 FT #SUB 30 30 PRO H 107 107 PRO E Protein B 4 FT #SUB 31 31 ALA H 63 63 LYS E Protein S 1 FT #SUB 31 31 ALA H 107 107 PRO E Protein B 2 FT #SUB 32 32 PRO H 68 68 TRP E Protein S 2 FT #SUB 32 32 PRO H 69 69 GLU E Protein S 1 FT #SUB 32 32 PRO H 107 107 PRO E Protein A 5 FT #SUB 33 33 THR H 66 66 GLU E Protein S 1 FT #SUB 35 35 ILE H 105 105 GLY E Protein S 1 FT #SUB 35 35 ILE H 107 107 PRO E Protein S 2 FT #SUB 40 40 PHE H 106 106 MET E Protein S 2 FT #SUB 43 43 TYR H 102 102 VAL E Protein B 1 FT #SUB 43 43 TYR H 105 105 GLY E Protein S 8 FT #SUB 43 43 TYR H 106 106 MET E Protein S 5 FT #SUB 44 44 THR H 114 114 LEU E Protein S 1 FT #SUB 63 63 LYS H 31 31 ALA E Protein S 1 FT #SUB 66 66 GLU H 33 33 THR E Protein S 1 FT #SUB 68 68 TRP H 32 32 PRO E Protein S 2 FT #SUB 69 69 GLU H 32 32 PRO E Protein S 1 FT #SUB 92 92 ARG H 118 118 ARG E Protein S 3 FT #SUB 92 92 ARG H 122 122 ASP E Protein S 1 FT #SUB 97 97 ASP H 97 97 ASP E Protein B 1 FT #SUB 97 97 ASP H 118 118 ARG E Protein S 8 FT #SUB 100 100 GLN H 101 101 THR E Protein S 3 FT #SUB 101 101 THR H 100 100 GLN E Protein S 3 FT #SUB 101 101 THR H 101 101 THR E Protein A 5 FT #SUB 102 102 VAL H 43 43 TYR E Protein S 1 FT #SUB 104 104 LEU H 27 27 THR E Protein A 7 FT #SUB 104 104 LEU H 28 28 HIS E Protein B 3 FT #SUB 104 104 LEU H 29 29 ALA E Protein B 3 FT #SUB 104 104 LEU H 30 30 PRO E Protein B 1 FT #SUB 105 105 GLY H 27 27 THR E Protein B 3 FT #SUB 105 105 GLY H 30 30 PRO E Protein B 3 FT #SUB 105 105 GLY H 35 35 ILE E Protein B 1 FT #SUB 105 105 GLY H 43 43 TYR E Protein B 9 FT #SUB 106 106 MET H 29 29 ALA E Protein B 1 FT #SUB 106 106 MET H 30 30 PRO E Protein B 1 FT #SUB 106 106 MET H 40 40 PHE E Protein S 2 FT #SUB 106 106 MET H 43 43 TYR E Protein S 5 FT #SUB 107 107 PRO H 30 30 PRO E Protein A 4 FT #SUB 107 107 PRO H 31 31 ALA E Protein S 2 FT #SUB 107 107 PRO H 32 32 PRO E Protein S 5 FT #SUB 107 107 PRO H 35 35 ILE E Protein S 2 FT #SUB 118 118 ARG H 92 92 ARG E Protein S 3 FT #SUB 118 118 ARG H 97 97 ASP E Protein S 7 FT #SUB 122 122 ASP H 92 92 ARG E Protein S 1 FT #SUB 28 28 HIS H 153 153 ARG F Protein S 3 FT #SUB 29 29 ALA H 149 149 PRO F Protein S 2 FT #SUB 31 31 ALA H 233 233 LEU F Protein S 1 FT #SUB 33 33 THR H 236 236 ASN F Protein S 1 FT #SUB 37 37 HIS H 26 26 ASP F Protein A 8 FT #SUB 40 40 PHE H 26 26 ASP F Protein S 12 FT #SUB 40 40 PHE H 27 27 PHE F Protein S 4 FT #SUB 41 41 ARG H 47 47 ASP G Protein S 7 FT #SUB 44 44 THR H 51 51 LEU G Protein S 1 FT #SUB 46 46 VAL H 50 50 ASP G Protein S 1 FT #SUB 46 46 VAL H 54 54 THR G Protein S 1 FT #SUB 48 48 HIS H 53 53 TYR G Protein S 1 FT #SUB 48 48 HIS H 54 54 THR G Protein S 2 FT #SUB 48 48 HIS H 55 55 ARG G Protein S 2 FT #SUB 49 49 ASP H 57 57 MET G Protein S 7 FT #SUB 49 49 ASP H 58 58 THR G Protein S 7 FT #SUB 51 51 GLY H 59 59 TYR G Protein B 3 FT #SUB 52 52 GLY H 102 102 TRP G Protein B 2 FT #SUB 82 82 ARG H 12 12 ARG G Protein B 5 FT #SUB 83 83 GLY H 12 12 ARG G Protein B 9 FT #SUB 86 86 THR H 80 80 GLU G Protein S 1 FT #SUB 86 86 THR H 85 85 GLU G Protein S 1 FT #SUB 88 88 GLU H 53 53 TYR G Protein S 5 FT #SUB 88 88 GLU H 55 55 ARG G Protein S 6 FT #SUB 88 88 GLU H 77 77 ALA G Protein S 2 FT #SUB 88 88 GLU H 80 80 GLU G Protein S 2 FT #SUB 88 88 GLU H 81 81 ALA G Protein A 5 FT #SUB 89 89 GLU H 80 80 GLU G Protein S 1 FT #SUB 89 89 GLU H 81 81 ALA G Protein A 6 FT #SUB 89 89 GLU H 83 83 GLY G Protein S 2 FT #SUB 91 91 ARG H 53 53 TYR G Protein S 1 FT #SUB 91 91 ARG H 55 55 ARG G Protein S 3 FT #SUB 92 92 ARG H 53 53 TYR G Protein A 8 FT #SUB 92 92 ARG H 81 81 ALA G Protein S 4 FT #SUB 92 92 ARG H 82 82 PHE G Protein S 12 FT #SUB 96 96 CYS H 53 53 TYR G Protein S 2 FT #SUB 123 123 LYS H 10 10 TRP G Protein A 11 FT #SUB 124 124 GLN H 8 8 PRO G Protein S 3 FT #SUB 125 125 PHE H 12 12 ARG G Protein S 2 FT #SUB 48 48 HIS H 129 129 THR I Protein B 1 FT #SUB 48 48 HIS H 130 130 LEU I Protein A 13 FT #SUB 48 48 HIS H 152 152 ARG I Protein B 2 FT #SUB 49 49 ASP H 130 130 LEU I Protein B 1 FT #SUB 50 50 VAL H 129 129 THR I Protein S 1 FT #SUB 50 50 VAL H 152 152 ARG I Protein S 2 FT #SUB 50 50 VAL H 153 153 ARG I Protein A 5 FT #SUB 51 51 GLY H 129 129 THR I Protein B 1 FT #SUB 51 51 GLY H 152 152 ARG I Protein B 1 FT #SUB 51 51 GLY H 153 153 ARG I Protein B 1 FT #SUB 52 52 GLY H 153 153 ARG I Protein B 4 FT #SUB 52 52 GLY H 156 156 VAL I Protein B 1 FT #SUB 52 52 GLY H 157 157 ARG I Protein B 2 FT #SUB 53 53 GLU H 153 153 ARG I Protein A 12 FT #SUB 53 53 GLU H 158 158 TRP I Protein B 1 FT #SUB 54 54 ALA H 158 158 TRP I Protein B 1 FT #SUB 55 55 ASP H 150 150 ASN I Protein S 8 FT #SUB 55 55 ASP H 153 153 ARG I Protein S 3 FT #SUB 55 55 ASP H 154 154 ARG I Protein S 1 FT #SUB 56 56 VAL H 150 150 ASN I Protein B 4 FT #SUB 56 56 VAL H 154 154 ARG I Protein B 4 FT #SUB 57 57 PRO H 154 154 ARG I Protein A 5 FT #SUB 57 57 PRO H 165 165 GLU I Protein S 4 FT #SUB 58 58 ILE H 150 150 ASN I Protein S 8 FT #SUB 59 59 GLU H 231 231 PRO I Protein S 3 FT #SUB 60 60 TYR H 145 145 TRP I Protein S 4 FT #SUB 60 60 TYR H 148 148 SER I Protein S 1 FT #SUB 60 60 TYR H 150 150 ASN I Protein S 5 FT #SUB 60 60 TYR H 151 151 TYR I Protein S 3 FT #SUB 60 60 TYR H 154 154 ARG I Protein S 2 FT #SUB 60 60 TYR H 166 166 PHE I Protein S 4 FT #SUB 60 60 TYR H 230 230 ARG I Protein B 2 FT #SUB 60 60 TYR H 231 231 PRO I Protein B 1 FT #SUB 61 61 HIS H 144 144 GLU I Protein A 2 FT #SUB 61 61 HIS H 145 145 TRP I Protein B 3 FT #SUB 61 61 HIS H 231 231 PRO I Protein A 5 FT #SUB 62 62 GLU H 143 143 PRO I Protein S 1 FT #SUB 62 62 GLU H 144 144 GLU I Protein B 1 FT #SUB 62 62 GLU H 145 145 TRP I Protein S 5 FT #SUB 62 62 GLU H 211 211 ARG I Protein S 8 FT #SUB 62 62 GLU H 230 230 ARG I Protein S 5 FT #SUB 62 62 GLU H 231 231 PRO I Protein B 3 FT #SUB 62 62 GLU H 232 232 VAL I Protein B 2 FT #SUB 62 62 GLU H 233 233 LEU I Protein B 4 FT #SUB 63 63 LYS H 144 144 GLU I Protein A 10 FT #SUB 63 63 LYS H 233 233 LEU I Protein A 8 FT #SUB 64 64 GLU H 233 233 LEU I Protein A 2 FT #SUB 64 64 GLU H 234 234 LYS I Protein S 5 FT #SUB 64 64 GLU H 235 235 ALA I Protein A 9 FT #SUB 64 64 GLU H 238 238 PRO I Protein S 2 FT #SUB 65 65 GLU H 238 238 PRO I Protein B 2 FT #SUB 65 65 GLU H 239 239 VAL I Protein A 6 FT #SUB 66 66 GLU H 235 235 ALA I Protein S 8 FT #SUB 66 66 GLU H 236 236 ASN I Protein S 8 FT #SUB 66 66 GLU H 237 237 ARG I Protein A 8 FT #SUB 66 66 GLU H 239 239 VAL I Protein B 2 FT #SUB 67 67 ILE H 237 237 ARG I Protein A 5 FT #SUB 67 67 ILE H 238 238 PRO I Protein S 3 FT #SUB 67 67 ILE H 239 239 VAL I Protein A 3 FT #SUB 68 68 TRP H 27 27 PHE I Protein S 13 FT #SUB 68 68 TRP H 28 28 GLU I Protein S 2 FT #SUB 68 68 TRP H 31 31 GLU I Protein B 1 FT #SUB 70 70 LEU H 53 53 LYS I Protein S 1 FT #SUB 71 71 ASN H 31 31 GLU I Protein S 5 FT #SUB 71 71 ASN H 35 35 ARG I Protein S 1 FT #SUB 71 71 ASN H 49 49 HIS I Protein A 6 FT #SUB 71 71 ASN H 53 53 LYS I Protein S 4 FT #SUB 72 72 THR H 31 31 GLU I Protein S 1 FT #SUB 73 73 PHE H 52 52 TRP I Protein S 1 FT #SUB 73 73 PHE H 56 56 VAL I Protein S 2 FT #SUB 73 73 PHE H 136 136 ARG I Protein S 6 FT #SUB 74 74 ALA H 49 49 HIS I Protein S 3 FT #SUB 74 74 ALA H 52 52 TRP I Protein B 1 FT #SUB 74 74 ALA H 53 53 LYS I Protein S 1 FT #SUB 75 75 THR H 44 44 PHE I Protein A 3 FT #SUB 75 75 THR H 49 49 HIS I Protein A 5 FT #SUB 77 77 GLU H 52 52 TRP I Protein S 8 FT #SUB 77 77 GLU H 106 106 THR I Protein S 1 FT #SUB 77 77 GLU H 107 107 PRO I Protein A 6 FT #SUB 77 77 GLU H 108 108 SER I Protein S 10 FT #SUB 78 78 CYS H 44 44 PHE I Protein S 3 FT #SUB 78 78 CYS H 48 48 ASP I Protein S 3 FT #SUB 78 78 CYS H 49 49 HIS I Protein S 2 FT #SUB 78 78 CYS H 52 52 TRP I Protein S 1 FT #SUB 79 79 LEU H 43 43 LEU I Protein S 1 FT #SUB 79 79 LEU H 44 44 PHE I Protein A 5 FT #SUB 80 80 ALA H 107 107 PRO I Protein S 2 FT #SUB 81 81 TRP H 48 48 ASP I Protein S 6 FT #SUB 81 81 TRP H 52 52 TRP I Protein S 3 FT #SUB 81 81 TRP H 101 101 PRO I Protein S 5 FT #SUB 81 81 TRP H 102 102 THR I Protein S 6 FT #SUB 81 81 TRP H 104 104 PHE I Protein B 1 FT #SUB 81 81 TRP H 107 107 PRO I Protein B 1 FT #SUB 82 82 ARG H 43 43 LEU I Protein S 2 FT #SUB 82 82 ARG H 44 44 PHE I Protein S 1 FT #SUB 82 82 ARG H 48 48 ASP I Protein S 10 FT #SUB 87 87 ALA H 107 107 PRO I Protein S 2 FT #SUB 87 87 ALA H 108 108 SER I Protein S 3 FT #SUB 87 87 ALA H 110 110 TYR I Protein S 1 FT #SUB 88 88 GLU H 110 110 TYR I Protein A 2 FT #SUB 90 90 ARG H 108 108 SER I Protein S 4 FT #SUB 91 91 ARG H 108 108 SER I Protein S 4 FT #SUB 91 91 ARG H 110 110 TYR I Protein S 6 FT #SUB 91 91 ARG H 131 131 CYS I Protein S 1 FT #SUB 91 91 ARG H 186 186 ARG I Protein S 1 FT #SUB 95 95 ASN H 131 131 CYS I Protein S 1 FT #SUB 103 103 TYR H 130 130 LEU I Protein S 1 FT #SUB 103 103 TYR H 152 152 ARG I Protein S 4 FT #SUB 104 104 LEU H 149 149 PRO I Protein S 1 FT #SUB 104 104 LEU H 153 153 ARG I Protein S 1 FT #SUB 106 106 MET H 27 27 PHE I Protein S 2 FT #SUB 107 107 PRO H 27 27 PHE I Protein S 2 FT #SUB 108 108 TYR H 132 132 SER I Protein S 4 FT #SUB 108 108 TYR H 136 136 ARG I Protein S 1 FT #SUB 108 108 TYR H 147 147 ARG I Protein S 11 FT #SUB 109 109 TYR H 141 141 GLN I Protein S 1 FT #SUB 109 109 TYR H 147 147 ARG I Protein S 1 FT #SUB 110 110 GLY H 27 27 PHE I Protein B 1 FT #SUB 112 112 TRP H 136 136 ARG I Protein S 1 FT #SUB 113 113 LEU H 27 27 PHE I Protein S 1 FT #SUB 113 113 LEU H 30 30 LEU I Protein S 3 FT #SUB 113 113 LEU H 31 31 GLU I Protein S 3 FT #SUB 114 114 LEU H 30 30 LEU I Protein S 1 FT #SUB 117 117 ALA H 34 34 VAL I Protein A 2 FT #SUB 120 120 LEU H 43 43 LEU I Protein S 1 FT #SUB 125 125 PHE H 41 41 LYS I Protein B 3 FT #SUB 125 125 PHE H 43 43 LEU I Protein S 3 FT #SUB 126 126 VAL H 41 41 LYS I Protein S 1 FT #SUB 130 130 GLU H 41 41 LYS I Protein S 6 FT #SUB 131 131 LEU H 37 37 LEU I Protein A 2 FT #SUB 134 134 LYS H 33 33 ALA I Protein S 3 FT #SUB 134 134 LYS H 36 36 GLU I Protein S 5 FT #SUB 134 134 LYS H 37 37 LEU I Protein S 5 FT #SUB 134 134 LYS H 40 40 GLU I Protein S 5 FT #SUB 138 138 MET H 29 29 ILE I Protein S 3 FT #SUB 138 138 MET H 32 32 MET I Protein S 4 FT #SUB 138 138 MET H 33 33 ALA I Protein S 2 FT #SUB 138 138 MET H 36 36 GLU I Protein S 2 FT #SUB 141 141 ARG H 32 32 MET I Protein S 1 FT #SUB 141 141 ARG H 36 36 GLU I Protein S 8 FT #SUB 142 142 VAL H 29 29 ILE I Protein S 1 FT #SUB 148 148 LEU H 24 24 VAL I Protein S 1 FT #SUB 148 148 LEU H 29 29 ILE I Protein S 1 FT #SUB 148 148 LEU H 32 32 MET I Protein S 3 FT #SUB 149 149 GLY H 32 32 MET I Protein B 1 FT #SUB 150 150 GLU H 53 53 LYS I Protein S 1 FT #SUB 151 151 TYR H 28 28 GLU I Protein S 5 FT #SUB 151 151 TYR H 31 31 GLU I Protein S 6 FT #SUB 151 151 TYR H 32 32 MET I Protein S 3 FT #SUB 151 151 TYR H 237 237 ARG I Protein B 7 FT #SUB 152 152 LEU H 24 24 VAL I Protein S 2 FT #SUB 2 2 SER H 62 62 GLY J Protein B 3 FT #SUB 5 5 ILE H 61 61 ARG J Protein S 2 FT #SUB 5 5 ILE H 62 62 GLY J Protein S 2 FT #SUB 6 6 ARG H 59 59 TYR J Protein S 4 FT #SUB 6 6 ARG H 60 60 THR J Protein S 3 FT #SUB 6 6 ARG H 61 61 ARG J Protein S 6 FT #SUB 6 6 ARG H 62 62 GLY J Protein S 1 FT #SUB 6 6 ARG H 63 63 ALA J Protein S 1 FT #SUB 6 6 ARG H 101 101 LEU J Protein S 4 FT #SUB 9 9 VAL H 58 58 THR J Protein S 2 FT #SUB 9 9 VAL H 61 61 ARG J Protein S 2 FT #SUB 10 10 HIS H 101 101 LEU J Protein S 2 FT #SUB 10 10 HIS H 103 103 PRO J Protein S 5 FT #SUB 12 12 HIS H 58 58 THR J Protein S 1 FT #SUB 59 59 GLU H 103 103 PRO J Protein S 2 FT #SUB 59 59 GLU H 104 104 GLU J Protein S 6 FT #SUB 8 8 GLU H 37 37 HIS K Protein S 5 FT #SUB 8 8 GLU H 41 41 ARG K Protein S 5 FT #SUB 11 11 ARG H 38 38 THR K Protein S 3 FT #SUB 12 12 HIS H 41 41 ARG K Protein S 5 FT #SUB 12 12 HIS H 42 42 ALA K Protein S 1 FT #SUB 12 12 HIS H 45 45 ARG K Protein S 1 FT #SUB 13 13 LEU H 51 51 GLY K Protein S 1 FT #SUB 15 15 THR H 38 38 THR K Protein S 2 FT #SUB 15 15 THR H 42 42 ALA K Protein S 1 FT #SUB 16 16 VAL H 45 45 ARG K Protein S 4 FT #SUB 16 16 VAL H 53 53 GLU K Protein S 3 FT #SUB 19 19 MET H 39 39 LEU K Protein S 1 FT #SUB 19 19 MET H 42 42 ALA K Protein S 4 FT #SUB 19 19 MET H 43 43 TYR K Protein S 8 FT #SUB 19 19 MET H 100 100 GLN K Protein B 1 FT #SUB 20 20 GLN H 104 104 LEU K Protein S 2 FT #SUB 21 21 PRO H 100 100 GLN K Protein S 3 FT #SUB 21 21 PRO H 101 101 THR K Protein S 1 FT #SUB 21 21 PRO H 104 104 LEU K Protein S 1 FT #SUB 24 24 HIS H 24 24 HIS K Protein S 17 FT #SUB 26 26 GLN H 26 26 GLN K Protein S 1 FT #SUB 37 37 HIS H 8 8 GLU K Protein S 6 FT #SUB 38 38 THR H 11 11 ARG K Protein S 1 FT #SUB 38 38 THR H 15 15 THR K Protein S 3 FT #SUB 41 41 ARG H 8 8 GLU K Protein S 5 FT #SUB 41 41 ARG H 12 12 HIS K Protein A 4 FT #SUB 42 42 ALA H 12 12 HIS K Protein B 1 FT #SUB 42 42 ALA H 15 15 THR K Protein S 1 FT #SUB 42 42 ALA H 19 19 MET K Protein A 7 FT #SUB 43 43 TYR H 19 19 MET K Protein S 2 FT #SUB 45 45 ARG H 12 12 HIS K Protein S 1 FT #SUB 45 45 ARG H 16 16 VAL K Protein S 2 FT #SUB 51 51 GLY H 13 13 LEU K Protein B 1 FT #SUB 53 53 GLU H 16 16 VAL K Protein S 3 FT #SUB 54 54 ALA H 56 56 VAL K Protein S 1 FT #SUB 55 55 ASP H 56 56 VAL K Protein B 6 FT #SUB 55 55 ASP H 57 57 PRO K Protein B 1 FT #SUB 56 56 VAL H 54 54 ALA K Protein S 2 FT #SUB 56 56 VAL H 55 55 ASP K Protein A 6 FT #SUB 56 56 VAL H 56 56 VAL K Protein A 3 FT #SUB 57 57 PRO H 55 55 ASP K Protein S 1 FT #SUB 100 100 GLN H 19 19 MET K Protein S 1 FT #SUB 100 100 GLN H 21 21 PRO K Protein A 4 FT #SUB 101 101 THR H 21 21 PRO K Protein B 1 FT #SUB 104 104 LEU H 20 20 GLN K Protein S 2 FT #SUB 104 104 LEU H 21 21 PRO K Protein S 1 FT #SUB 13 13 LEU H 157 157 ARG L Protein S 1 FT #SUB 20 20 GLN H 153 153 ARG L Protein S 3 FT #SUB 57 57 PRO H 158 158 TRP L Protein S 6 FT #HET 10 10 HIS H 8 3004 FRU H A 10 FT #HET 13 13 LEU H 8 3004 FRU H A 5 FT #HET 14 14 GLY H 8 3004 FRU H B 3 FT #HET 43 43 TYR H 10 3007 FRU H B 1 FT #HET 44 44 THR H 10 3007 FRU H B 1 FT #HET 45 45 ARG H 10 3007 FRU H B 2 FT #HET 47 47 PRO H 10 3007 FRU H S 2 FT #HET 90 90 ARG H 11 5401 TLA I S 7 FT #HET 91 91 ARG H 11 5401 TLA I S 8 FT #HET 94 94 GLN H 11 5401 TLA I S 3 FT #HET 95 95 ASN H 11 5401 TLA I S 4 FT #HET 96 96 CYS H 10 3007 FRU H B 3 FT #HET 97 97 ASP H 9 3006 FRU H B 1 FT #HET 97 97 ASP H 10 3007 FRU H B 3 FT #HET 98 98 VAL H 9 3006 FRU H A 9 FT #HET 99 99 GLY H 10 3007 FRU H B 2 FT #HET 102 102 VAL H 9 3006 FRU H S 6 FT #HET 108 108 TYR H 11 5401 TLA I S 3 FT #HET 112 112 TRP H 11 5401 TLA I S 5 FT #HET 118 118 ARG H 9 3006 FRU H S 6 FT DISORDER 1 1 CC SEQUENCE 156 AA (ATOM); CC SSSIREEVHR HLGTVALMQP ALHQQTHAPA PTEITHTLFR AYTRVPHDVG GEADVPIEYH CC EKEEEIWELN TFATCECLAW RGVWTAEERR RKQNCDVGQT VYLGMPYYGR WLLTAARILV CC DKQFVTLTEL HNKIVEMRER VASGQGLGEY LPPKAK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ATOM -SSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ************************************************* CC SEQRES GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ATOM GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ************************************************** CC SEQRES TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ATOM TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ************************************************** CC SEQRES YLPPKAK CC ATOM YLPPKAK CC ******* SQ SEQUENCE 157 AA; MW; CN; MSSSIREEVH RHLGTVALMQ PALHQQTHAP APTEITHTLF RAYTRVPHDV GGEADVPIEY HEKEEEIWEL NTFATCECLA WRGVWTAEER RRKQNCDVGQ TVYLGMPYYG RWLLTAARIL VDKQFVTLTE LHNKIVEMRE RVASGQGLGE YLPPKAK // ID 2DD4I STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase gamma subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 26 26 ASP I 37 37 HIS E Protein S 8 FT #SUB 26 26 ASP I 40 40 PHE E Protein S 11 FT #SUB 27 27 PHE I 40 40 PHE E Protein S 4 FT #SUB 149 149 PRO I 29 29 ALA E Protein S 2 FT #SUB 153 153 ARG I 28 28 HIS E Protein S 2 FT #SUB 233 233 LEU I 31 31 ALA E Protein S 1 FT #SUB 236 236 ASN I 33 33 THR E Protein B 1 FT #SUB 42 42 GLY I 12 12 ARG G Protein B 1 FT #SUB 43 43 LEU I 12 12 ARG G Protein A 2 FT #SUB 83 83 GLU I 69 69 ARG G Protein A 9 FT #SUB 97 97 VAL I 22 22 ILE G Protein S 2 FT #SUB 97 97 VAL I 23 23 GLY G Protein S 1 FT #SUB 103 103 GLN I 20 20 THR G Protein B 2 FT #SUB 103 103 GLN I 21 21 GLY G Protein B 3 FT #SUB 104 104 PHE I 15 15 HIS G Protein S 2 FT #SUB 104 104 PHE I 19 19 ALA G Protein A 4 FT #SUB 104 104 PHE I 20 20 THR G Protein S 3 FT #SUB 104 104 PHE I 23 23 GLY G Protein B 1 FT #SUB 104 104 PHE I 24 24 ASP G Protein B 1 FT #SUB 110 110 TYR I 24 24 ASP G Protein A 7 FT #SUB 111 111 CYS I 23 23 GLY G Protein S 1 FT #SUB 111 111 CYS I 24 24 ASP G Protein A 6 FT #SUB 111 111 CYS I 26 26 GLN G Protein A 6 FT #SUB 112 112 ASN I 71 71 VAL G Protein S 1 FT #SUB 112 112 ASN I 72 72 TYR G Protein S 3 FT #SUB 114 114 ARG I 69 69 ARG G Protein S 5 FT #SUB 114 114 ARG I 93 93 SER G Protein S 1 FT #SUB 114 114 ARG I 115 115 GLU G Protein S 3 FT #SUB 129 129 THR I 57 57 MET G Protein S 1 FT #SUB 130 130 LEU I 55 55 ARG G Protein S 7 FT #SUB 131 131 CYS I 55 55 ARG G Protein S 1 FT #SUB 156 156 VAL I 59 59 TYR G Protein S 1 FT #SUB 156 156 VAL I 98 98 GLN G Protein B 4 FT #SUB 156 156 VAL I 102 102 TRP G Protein A 6 FT #SUB 156 156 VAL I 114 114 LEU G Protein A 3 FT #SUB 157 157 ARG I 102 102 TRP G Protein A 18 FT #SUB 157 157 ARG I 104 104 GLU G Protein S 10 FT #SUB 157 157 ARG I 105 105 TYR G Protein B 2 FT #SUB 158 158 TRP I 104 104 GLU G Protein S 1 FT #SUB 159 159 PRO I 98 98 GLN G Protein S 2 FT #SUB 159 159 PRO I 105 105 TYR G Protein S 2 FT #SUB 160 160 ARG I 109 109 PHE G Protein S 10 FT #SUB 160 160 ARG I 112 112 ASP G Protein S 10 FT #SUB 172 172 SER I 108 108 THR G Protein A 4 FT #SUB 172 172 SER I 109 109 PHE G Protein A 6 FT #SUB 173 173 GLU I 111 111 ASN G Protein B 4 FT #SUB 174 174 VAL I 112 112 ASP G Protein B 1 FT #SUB 175 175 GLN I 111 111 ASN G Protein A 5 FT #SUB 175 175 GLN I 112 112 ASP G Protein B 1 FT #SUB 175 175 GLN I 113 113 THR G Protein S 5 FT #SUB 176 176 ILE I 112 112 ASP G Protein A 11 FT #SUB 176 176 ILE I 113 113 THR G Protein B 4 FT #SUB 177 177 ARG I 95 95 VAL G Protein S 4 FT #SUB 177 177 ARG I 113 113 THR G Protein A 9 FT #SUB 177 177 ARG I 115 115 GLU G Protein S 5 FT #SUB 178 178 VAL I 113 113 THR G Protein B 1 FT #SUB 178 178 VAL I 114 114 LEU G Protein B 4 FT #SUB 178 178 VAL I 115 115 GLU G Protein B 3 FT #SUB 179 179 ALA I 115 115 GLU G Protein B 2 FT #SUB 180 180 ASP I 57 57 MET G Protein S 1 FT #SUB 180 180 ASP I 59 59 TYR G Protein S 5 FT #SUB 180 180 ASP I 115 115 GLU G Protein B 1 FT #SUB 180 180 ASP I 116 116 THR G Protein A 5 FT #SUB 182 182 ASN I 55 55 ARG G Protein A 9 FT #SUB 182 182 ASN I 57 57 MET G Protein S 5 FT #SUB 182 182 ASN I 116 116 THR G Protein S 5 FT #SUB 182 182 ASN I 117 117 GLU G Protein S 9 FT #SUB 183 183 GLN I 55 55 ARG G Protein S 5 FT #SUB 183 183 GLN I 72 72 TYR G Protein A 2 FT #SUB 183 183 GLN I 91 91 PHE G Protein S 5 FT #SUB 183 183 GLN I 117 117 GLU G Protein S 6 FT #SUB 183 183 GLN I 119 119 PRO G Protein S 1 FT #SUB 184 184 LYS I 24 24 ASP G Protein S 5 FT #SUB 184 184 LYS I 28 28 PHE G Protein S 1 FT #SUB 184 184 LYS I 72 72 TYR G Protein A 6 FT #SUB 184 184 LYS I 74 74 SER G Protein S 3 FT #SUB 184 184 LYS I 80 80 GLU G Protein S 6 FT #SUB 185 185 THR I 72 72 TYR G Protein A 2 FT #SUB 185 185 THR I 117 117 GLU G Protein A 8 FT #SUB 24 24 VAL I 148 148 LEU H Protein S 1 FT #SUB 24 24 VAL I 152 152 LEU H Protein S 2 FT #SUB 27 27 PHE I 68 68 TRP H Protein S 13 FT #SUB 27 27 PHE I 106 106 MET H Protein S 2 FT #SUB 27 27 PHE I 107 107 PRO H Protein S 2 FT #SUB 27 27 PHE I 110 110 GLY H Protein S 1 FT #SUB 27 27 PHE I 113 113 LEU H Protein B 1 FT #SUB 28 28 GLU I 68 68 TRP H Protein S 2 FT #SUB 28 28 GLU I 151 151 TYR H Protein A 5 FT #SUB 29 29 ILE I 138 138 MET H Protein A 3 FT #SUB 29 29 ILE I 142 142 VAL H Protein S 1 FT #SUB 29 29 ILE I 148 148 LEU H Protein S 1 FT #SUB 30 30 LEU I 113 113 LEU H Protein S 3 FT #SUB 30 30 LEU I 114 114 LEU H Protein S 1 FT #SUB 31 31 GLU I 68 68 TRP H Protein S 1 FT #SUB 31 31 GLU I 71 71 ASN H Protein S 5 FT #SUB 31 31 GLU I 72 72 THR H Protein S 1 FT #SUB 31 31 GLU I 113 113 LEU H Protein B 3 FT #SUB 31 31 GLU I 151 151 TYR H Protein S 6 FT #SUB 32 32 MET I 138 138 MET H Protein A 4 FT #SUB 32 32 MET I 141 141 ARG H Protein S 1 FT #SUB 32 32 MET I 148 148 LEU H Protein S 3 FT #SUB 32 32 MET I 149 149 GLY H Protein S 1 FT #SUB 32 32 MET I 151 151 TYR H Protein S 3 FT #SUB 33 33 ALA I 134 134 LYS H Protein A 3 FT #SUB 33 33 ALA I 138 138 MET H Protein B 2 FT #SUB 34 34 VAL I 117 117 ALA H Protein S 2 FT #SUB 35 35 ARG I 71 71 ASN H Protein S 1 FT #SUB 36 36 GLU I 134 134 LYS H Protein S 5 FT #SUB 36 36 GLU I 138 138 MET H Protein S 2 FT #SUB 36 36 GLU I 141 141 ARG H Protein S 8 FT #SUB 37 37 LEU I 131 131 LEU H Protein S 2 FT #SUB 37 37 LEU I 134 134 LYS H Protein S 5 FT #SUB 40 40 GLU I 134 134 LYS H Protein S 5 FT #SUB 41 41 LYS I 125 125 PHE H Protein S 3 FT #SUB 41 41 LYS I 126 126 VAL H Protein S 1 FT #SUB 41 41 LYS I 130 130 GLU H Protein S 6 FT #SUB 43 43 LEU I 79 79 LEU H Protein S 1 FT #SUB 43 43 LEU I 82 82 ARG H Protein B 2 FT #SUB 43 43 LEU I 120 120 LEU H Protein S 1 FT #SUB 43 43 LEU I 125 125 PHE H Protein S 3 FT #SUB 44 44 PHE I 75 75 THR H Protein S 3 FT #SUB 44 44 PHE I 78 78 CYS H Protein S 3 FT #SUB 44 44 PHE I 79 79 LEU H Protein S 5 FT #SUB 44 44 PHE I 82 82 ARG H Protein S 1 FT #SUB 48 48 ASP I 78 78 CYS H Protein A 3 FT #SUB 48 48 ASP I 81 81 TRP H Protein A 6 FT #SUB 48 48 ASP I 82 82 ARG H Protein S 10 FT #SUB 49 49 HIS I 71 71 ASN H Protein S 6 FT #SUB 49 49 HIS I 74 74 ALA H Protein S 3 FT #SUB 49 49 HIS I 75 75 THR H Protein S 5 FT #SUB 49 49 HIS I 78 78 CYS H Protein B 2 FT #SUB 52 52 TRP I 73 73 PHE H Protein S 1 FT #SUB 52 52 TRP I 74 74 ALA H Protein S 1 FT #SUB 52 52 TRP I 77 77 GLU H Protein S 8 FT #SUB 52 52 TRP I 78 78 CYS H Protein S 1 FT #SUB 52 52 TRP I 81 81 TRP H Protein S 3 FT #SUB 53 53 LYS I 70 70 LEU H Protein S 1 FT #SUB 53 53 LYS I 71 71 ASN H Protein S 4 FT #SUB 53 53 LYS I 74 74 ALA H Protein S 1 FT #SUB 53 53 LYS I 150 150 GLU H Protein S 1 FT #SUB 56 56 VAL I 73 73 PHE H Protein S 2 FT #SUB 101 101 PRO I 81 81 TRP H Protein A 5 FT #SUB 102 102 THR I 81 81 TRP H Protein A 6 FT #SUB 104 104 PHE I 81 81 TRP H Protein S 1 FT #SUB 106 106 THR I 77 77 GLU H Protein S 1 FT #SUB 107 107 PRO I 77 77 GLU H Protein A 6 FT #SUB 107 107 PRO I 80 80 ALA H Protein S 2 FT #SUB 107 107 PRO I 81 81 TRP H Protein S 1 FT #SUB 107 107 PRO I 87 87 ALA H Protein B 2 FT #SUB 108 108 SER I 77 77 GLU H Protein A 10 FT #SUB 108 108 SER I 87 87 ALA H Protein A 3 FT #SUB 108 108 SER I 90 90 ARG H Protein S 4 FT #SUB 108 108 SER I 91 91 ARG H Protein A 4 FT #SUB 110 110 TYR I 87 87 ALA H Protein S 1 FT #SUB 110 110 TYR I 88 88 GLU H Protein S 2 FT #SUB 110 110 TYR I 91 91 ARG H Protein S 6 FT #SUB 129 129 THR I 48 48 HIS H Protein B 1 FT #SUB 129 129 THR I 50 50 VAL H Protein B 1 FT #SUB 129 129 THR I 51 51 GLY H Protein S 1 FT #SUB 130 130 LEU I 48 48 HIS H Protein A 13 FT #SUB 130 130 LEU I 49 49 ASP H Protein S 1 FT #SUB 130 130 LEU I 103 103 TYR H Protein B 1 FT #SUB 131 131 CYS I 91 91 ARG H Protein S 1 FT #SUB 131 131 CYS I 95 95 ASN H Protein S 1 FT #SUB 132 132 SER I 108 108 TYR H Protein S 4 FT #SUB 136 136 ARG I 73 73 PHE H Protein S 6 FT #SUB 136 136 ARG I 108 108 TYR H Protein S 1 FT #SUB 136 136 ARG I 112 112 TRP H Protein S 1 FT #SUB 141 141 GLN I 109 109 TYR H Protein S 1 FT #SUB 143 143 PRO I 62 62 GLU H Protein S 1 FT #SUB 144 144 GLU I 61 61 HIS H Protein S 2 FT #SUB 144 144 GLU I 62 62 GLU H Protein S 1 FT #SUB 144 144 GLU I 63 63 LYS H Protein S 10 FT #SUB 145 145 TRP I 60 60 TYR H Protein S 4 FT #SUB 145 145 TRP I 61 61 HIS H Protein A 3 FT #SUB 145 145 TRP I 62 62 GLU H Protein S 5 FT #SUB 147 147 ARG I 108 108 TYR H Protein S 11 FT #SUB 147 147 ARG I 109 109 TYR H Protein S 1 FT #SUB 148 148 SER I 60 60 TYR H Protein S 1 FT #SUB 149 149 PRO I 104 104 LEU H Protein S 1 FT #SUB 150 150 ASN I 55 55 ASP H Protein A 8 FT #SUB 150 150 ASN I 56 56 VAL H Protein S 4 FT #SUB 150 150 ASN I 58 58 ILE H Protein S 8 FT #SUB 150 150 ASN I 60 60 TYR H Protein A 5 FT #SUB 151 151 TYR I 60 60 TYR H Protein A 3 FT #SUB 152 152 ARG I 48 48 HIS H Protein S 2 FT #SUB 152 152 ARG I 50 50 VAL H Protein S 2 FT #SUB 152 152 ARG I 51 51 GLY H Protein B 1 FT #SUB 152 152 ARG I 103 103 TYR H Protein S 4 FT #SUB 153 153 ARG I 50 50 VAL H Protein A 5 FT #SUB 153 153 ARG I 51 51 GLY H Protein B 1 FT #SUB 153 153 ARG I 52 52 GLY H Protein B 4 FT #SUB 153 153 ARG I 53 53 GLU H Protein A 12 FT #SUB 153 153 ARG I 55 55 ASP H Protein S 3 FT #SUB 153 153 ARG I 104 104 LEU H Protein S 1 FT #SUB 154 154 ARG I 55 55 ASP H Protein S 1 FT #SUB 154 154 ARG I 56 56 VAL H Protein S 4 FT #SUB 154 154 ARG I 57 57 PRO H Protein S 5 FT #SUB 154 154 ARG I 60 60 TYR H Protein S 2 FT #SUB 156 156 VAL I 52 52 GLY H Protein S 1 FT #SUB 157 157 ARG I 52 52 GLY H Protein S 2 FT #SUB 158 158 TRP I 53 53 GLU H Protein S 1 FT #SUB 158 158 TRP I 54 54 ALA H Protein S 1 FT #SUB 165 165 GLU I 57 57 PRO H Protein S 4 FT #SUB 166 166 PHE I 60 60 TYR H Protein S 4 FT #SUB 186 186 ARG I 91 91 ARG H Protein S 1 FT #SUB 211 211 ARG I 62 62 GLU H Protein S 8 FT #SUB 230 230 ARG I 60 60 TYR H Protein S 2 FT #SUB 230 230 ARG I 62 62 GLU H Protein S 5 FT #SUB 231 231 PRO I 59 59 GLU H Protein S 3 FT #SUB 231 231 PRO I 60 60 TYR H Protein S 1 FT #SUB 231 231 PRO I 61 61 HIS H Protein A 5 FT #SUB 231 231 PRO I 62 62 GLU H Protein B 3 FT #SUB 232 232 VAL I 62 62 GLU H Protein B 2 FT #SUB 233 233 LEU I 62 62 GLU H Protein A 4 FT #SUB 233 233 LEU I 63 63 LYS H Protein A 8 FT #SUB 233 233 LEU I 64 64 GLU H Protein B 2 FT #SUB 234 234 LYS I 64 64 GLU H Protein A 5 FT #SUB 235 235 ALA I 64 64 GLU H Protein A 9 FT #SUB 235 235 ALA I 66 66 GLU H Protein A 8 FT #SUB 236 236 ASN I 66 66 GLU H Protein A 8 FT #SUB 237 237 ARG I 66 66 GLU H Protein A 8 FT #SUB 237 237 ARG I 67 67 ILE H Protein B 5 FT #SUB 237 237 ARG I 151 151 TYR H Protein S 7 FT #SUB 238 238 PRO I 64 64 GLU H Protein S 2 FT #SUB 238 238 PRO I 65 65 GLU H Protein B 2 FT #SUB 238 238 PRO I 67 67 ILE H Protein B 3 FT #SUB 239 239 VAL I 65 65 GLU H Protein A 6 FT #SUB 239 239 VAL I 66 66 GLU H Protein S 2 FT #SUB 239 239 VAL I 67 67 ILE H Protein A 3 FT #SUB 164 164 ALA I 109 109 PHE J Protein B 1 FT #SUB 167 167 GLY I 106 106 SER J Protein B 2 FT #SUB 167 167 GLY I 108 108 THR J Protein B 5 FT #SUB 169 169 GLN I 109 109 PHE J Protein S 3 FT #SUB 153 153 ARG I 20 20 GLN K Protein S 3 FT #SUB 157 157 ARG I 13 13 LEU K Protein S 1 FT #SUB 158 158 TRP I 57 57 PRO K Protein S 4 FT #SUB 161 161 GLN I 161 161 GLN L Protein A 10 FT #SUB 161 161 GLN I 165 165 GLU L Protein S 3 FT #SUB 164 164 ALA I 161 161 GLN L Protein A 2 FT #SUB 165 165 GLU I 161 161 GLN L Protein A 3 FT #SUB 169 169 GLN I 169 169 GLN L Protein S 9 FT #SUB 169 169 GLN I 170 170 LEU L Protein S 3 FT #SUB 169 169 GLN I 172 172 SER L Protein S 1 FT #SUB 170 170 LEU I 169 169 GLN L Protein B 4 FT #SUB 171 171 PRO I 169 169 GLN L Protein B 2 FT #SUB 172 172 SER I 169 169 GLN L Protein B 1 FT #HET 108 108 SER I 11 5401 TLA I A 5 FT #HET 131 131 CYS I 11 5401 TLA I S 5 FT #HET 132 132 SER I 11 5401 TLA I A 9 FT #HET 133 133 CYS I 11 5401 TLA I A 5 FT #HET 136 136 ARG I 11 5401 TLA I S 7 FT #HET 157 157 ARG I 13 3003 FRU K S 6 FT #HET 177 177 ARG I 12 5501 TLA I S 8 FT #HET 186 186 ARG I 11 5401 TLA I S 1 FT DISORDER 1 22 FT DISORDER 240 243 CC SEQUENCE 217 AA (ATOM); CC EVSDFEILEM AVRELAIEKG LFSAEDHRVW KDYVHTLGPL PAARLVAKAW LDPEYKKLCI CC EDGVEASKAV GVNWVTSPPT QFGTPSDYCN LRVLADSPTL KHVVVCTLCS CYPRPILGQS CC PEWYRSPNYR RRLVRWPRQV LAEFGLQLPS EVQIRVADSN QKTRYIVMPV RPEGTDGWTE CC DQLAEIVTRD CLIGVAVPKP GITVNAKRPV LKANRPV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSADHDHDHDHDHDHKPAPMVEEVSDFEILEMAVRELAIEKGLFSAEDHR CC ATOM ----------------------EVSDFEILEMAVRELAIEKGLFSAEDHR CC **************************** CC SEQRES VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ATOM VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ************************************************** CC SEQRES PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ATOM PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ************************************************** CC SEQRES YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ATOM YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ************************************************** CC SEQRES TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPVHHDH CC ATOM TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPV---- CC *************************************** SQ SEQUENCE 243 AA; MW; CN; MSADHDHDHD HDHDHKPAPM VEEVSDFEIL EMAVRELAIE KGLFSAEDHR VWKDYVHTLG PLPAARLVAK AWLDPEYKKL CIEDGVEASK AVGVNWVTSP PTQFGTPSDY CNLRVLADSP TLKHVVVCTL CSCYPRPILG QSPEWYRSPN YRRRLVRWPR QVLAEFGLQL PSEVQIRVAD SNQKTRYIVM PVRPEGTDGW TEDQLAEIVT RDCLIGVAVP KPGITVNAKR PVLKANRPVH HDH // ID 2DD4J STANDARD; PRT; 126 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase alpha subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 7 7 LYS J 83 83 GLY A Protein S 1 FT #SUB 7 7 LYS J 84 84 ASN A Protein S 5 FT #SUB 7 7 LYS J 86 86 GLU A Protein S 5 FT #SUB 8 8 PRO J 9 9 VAL A Protein A 4 FT #SUB 8 8 PRO J 10 10 TRP A Protein S 6 FT #SUB 49 49 PRO J 132 132 HIS B Protein A 7 FT #SUB 49 49 PRO J 135 135 ILE B Protein S 2 FT #SUB 49 49 PRO J 136 136 VAL B Protein S 2 FT #SUB 49 49 PRO J 139 139 ARG B Protein S 1 FT #SUB 50 50 ASP J 132 132 HIS B Protein B 1 FT #SUB 51 51 LEU J 114 114 LEU B Protein S 1 FT #SUB 51 51 LEU J 128 128 LEU B Protein B 2 FT #SUB 51 51 LEU J 132 132 HIS B Protein B 5 FT #SUB 52 52 PHE J 114 114 LEU B Protein S 1 FT #SUB 52 52 PHE J 117 117 ALA B Protein S 3 FT #SUB 52 52 PHE J 118 118 ARG B Protein S 10 FT #SUB 52 52 PHE J 128 128 LEU B Protein S 1 FT #SUB 52 52 PHE J 131 131 LEU B Protein S 2 FT #SUB 53 53 TYR J 128 128 LEU B Protein A 3 FT #SUB 53 53 TYR J 132 132 HIS B Protein B 1 FT #SUB 78 78 GLU J 128 128 LEU B Protein B 2 FT #SUB 79 79 ASP J 127 127 THR B Protein S 1 FT #SUB 79 79 ASP J 129 129 THR B Protein S 5 FT #SUB 82 82 PHE J 118 118 ARG B Protein S 1 FT #SUB 82 82 PHE J 121 121 VAL B Protein S 3 FT #SUB 82 82 PHE J 122 122 ASP B Protein S 1 FT #SUB 82 82 PHE J 124 124 GLN B Protein B 3 FT #SUB 82 82 PHE J 128 128 LEU B Protein S 1 FT #SUB 83 83 GLY J 124 124 GLN B Protein B 3 FT #SUB 84 84 ASN J 124 124 GLN B Protein S 4 FT #SUB 84 84 ASN J 127 127 THR B Protein S 3 FT #SUB 121 121 ARG J 129 129 THR B Protein S 7 FT #SUB 58 58 THR J 9 9 VAL H Protein B 2 FT #SUB 58 58 THR J 12 12 HIS H Protein S 1 FT #SUB 59 59 TYR J 6 6 ARG H Protein B 4 FT #SUB 60 60 THR J 6 6 ARG H Protein B 3 FT #SUB 61 61 ARG J 5 5 ILE H Protein B 2 FT #SUB 61 61 ARG J 6 6 ARG H Protein B 6 FT #SUB 61 61 ARG J 9 9 VAL H Protein A 2 FT #SUB 62 62 GLY J 2 2 SER H Protein B 3 FT #SUB 62 62 GLY J 5 5 ILE H Protein B 2 FT #SUB 62 62 GLY J 6 6 ARG H Protein B 1 FT #SUB 63 63 ALA J 6 6 ARG H Protein S 1 FT #SUB 101 101 LEU J 6 6 ARG H Protein B 4 FT #SUB 101 101 LEU J 10 10 HIS H Protein B 2 FT #SUB 103 103 PRO J 10 10 HIS H Protein S 5 FT #SUB 103 103 PRO J 59 59 GLU H Protein B 2 FT #SUB 104 104 GLU J 59 59 GLU H Protein A 6 FT #SUB 106 106 SER J 167 167 GLY I Protein S 2 FT #SUB 108 108 THR J 167 167 GLY I Protein S 5 FT #SUB 109 109 PHE J 164 164 ALA I Protein S 1 FT #SUB 109 109 PHE J 169 169 GLN I Protein S 3 FT #SUB 7 7 LYS J 124 124 GLN K Protein S 2 FT #SUB 8 8 PRO J 124 124 GLN K Protein S 1 FT #SUB 10 10 TRP J 123 123 LYS K Protein S 10 FT #SUB 12 12 ARG J 82 82 ARG K Protein A 4 FT #SUB 12 12 ARG J 83 83 GLY K Protein A 9 FT #SUB 12 12 ARG J 84 84 VAL K Protein S 1 FT #SUB 12 12 ARG J 125 125 PHE K Protein S 2 FT #SUB 47 47 ASP J 41 41 ARG K Protein S 8 FT #SUB 50 50 ASP J 46 46 VAL K Protein B 1 FT #SUB 51 51 LEU J 44 44 THR K Protein S 1 FT #SUB 53 53 TYR J 48 48 HIS K Protein S 1 FT #SUB 53 53 TYR J 88 88 GLU K Protein S 5 FT #SUB 53 53 TYR J 91 91 ARG K Protein S 1 FT #SUB 53 53 TYR J 92 92 ARG K Protein S 9 FT #SUB 53 53 TYR J 96 96 CYS K Protein S 2 FT #SUB 54 54 THR J 46 46 VAL K Protein S 1 FT #SUB 54 54 THR J 48 48 HIS K Protein B 2 FT #SUB 55 55 ARG J 48 48 HIS K Protein S 1 FT #SUB 55 55 ARG J 88 88 GLU K Protein S 6 FT #SUB 55 55 ARG J 91 91 ARG K Protein S 3 FT #SUB 57 57 MET J 49 49 ASP K Protein A 7 FT #SUB 58 58 THR J 49 49 ASP K Protein A 7 FT #SUB 59 59 TYR J 51 51 GLY K Protein S 3 FT #SUB 77 77 ALA J 88 88 GLU K Protein S 2 FT #SUB 80 80 GLU J 86 86 THR K Protein B 1 FT #SUB 80 80 GLU J 88 88 GLU K Protein S 2 FT #SUB 80 80 GLU J 89 89 GLU K Protein B 1 FT #SUB 81 81 ALA J 88 88 GLU K Protein A 5 FT #SUB 81 81 ALA J 89 89 GLU K Protein B 7 FT #SUB 81 81 ALA J 92 92 ARG K Protein A 4 FT #SUB 82 82 PHE J 92 92 ARG K Protein S 11 FT #SUB 83 83 GLY J 89 89 GLU K Protein B 2 FT #SUB 85 85 GLU J 86 86 THR K Protein S 1 FT #SUB 102 102 TRP J 52 52 GLY K Protein S 2 FT #SUB 12 12 ARG J 42 42 GLY L Protein S 1 FT #SUB 15 15 HIS J 104 104 PHE L Protein S 2 FT #SUB 16 16 ALA J 104 104 PHE L Protein A 2 FT #SUB 19 19 ALA J 104 104 PHE L Protein A 4 FT #SUB 20 20 THR J 103 103 GLN L Protein A 4 FT #SUB 20 20 THR J 104 104 PHE L Protein A 3 FT #SUB 21 21 GLY J 97 97 VAL L Protein B 1 FT #SUB 21 21 GLY J 103 103 GLN L Protein B 3 FT #SUB 22 22 ILE J 97 97 VAL L Protein B 4 FT #SUB 23 23 GLY J 97 97 VAL L Protein B 1 FT #SUB 23 23 GLY J 104 104 PHE L Protein B 1 FT #SUB 23 23 GLY J 111 111 CYS L Protein B 1 FT #SUB 24 24 ASP J 104 104 PHE L Protein B 1 FT #SUB 24 24 ASP J 110 110 TYR L Protein A 6 FT #SUB 24 24 ASP J 111 111 CYS L Protein B 6 FT #SUB 24 24 ASP J 184 184 LYS L Protein S 5 FT #SUB 26 26 GLN J 111 111 CYS L Protein S 7 FT #SUB 28 28 PHE J 184 184 LYS L Protein S 1 FT #SUB 55 55 ARG J 130 130 LEU L Protein A 7 FT #SUB 55 55 ARG J 131 131 CYS L Protein S 1 FT #SUB 55 55 ARG J 182 182 ASN L Protein A 9 FT #SUB 55 55 ARG J 183 183 GLN L Protein A 5 FT #SUB 57 57 MET J 129 129 THR L Protein S 1 FT #SUB 57 57 MET J 130 130 LEU L Protein S 2 FT #SUB 57 57 MET J 180 180 ASP L Protein S 3 FT #SUB 57 57 MET J 182 182 ASN L Protein S 4 FT #SUB 59 59 TYR J 156 156 VAL L Protein S 1 FT #SUB 59 59 TYR J 180 180 ASP L Protein S 5 FT #SUB 69 69 ARG J 83 83 GLU L Protein S 9 FT #SUB 69 69 ARG J 114 114 ARG L Protein S 4 FT #SUB 71 71 VAL J 112 112 ASN L Protein B 1 FT #SUB 72 72 TYR J 112 112 ASN L Protein S 3 FT #SUB 72 72 TYR J 183 183 GLN L Protein S 2 FT #SUB 72 72 TYR J 184 184 LYS L Protein S 6 FT #SUB 72 72 TYR J 185 185 THR L Protein S 2 FT #SUB 74 74 SER J 184 184 LYS L Protein S 3 FT #SUB 80 80 GLU J 184 184 LYS L Protein S 6 FT #SUB 91 91 PHE J 183 183 GLN L Protein S 4 FT #SUB 93 93 SER J 114 114 ARG L Protein S 1 FT #SUB 95 95 VAL J 177 177 ARG L Protein S 4 FT #SUB 98 98 GLN J 156 156 VAL L Protein S 3 FT #SUB 98 98 GLN J 159 159 PRO L Protein S 2 FT #SUB 102 102 TRP J 156 156 VAL L Protein S 4 FT #SUB 102 102 TRP J 157 157 ARG L Protein S 15 FT #SUB 104 104 GLU J 157 157 ARG L Protein S 10 FT #SUB 104 104 GLU J 158 158 TRP L Protein S 1 FT #SUB 105 105 TYR J 157 157 ARG L Protein S 2 FT #SUB 105 105 TYR J 159 159 PRO L Protein S 2 FT #SUB 108 108 THR J 172 172 SER L Protein A 5 FT #SUB 109 109 PHE J 160 160 ARG L Protein S 11 FT #SUB 109 109 PHE J 172 172 SER L Protein A 6 FT #SUB 111 111 ASN J 173 173 GLU L Protein S 4 FT #SUB 111 111 ASN J 175 175 GLN L Protein B 5 FT #SUB 112 112 ASP J 160 160 ARG L Protein S 10 FT #SUB 112 112 ASP J 174 174 VAL L Protein S 1 FT #SUB 112 112 ASP J 175 175 GLN L Protein S 1 FT #SUB 112 112 ASP J 176 176 ILE L Protein A 10 FT #SUB 113 113 THR J 175 175 GLN L Protein S 5 FT #SUB 113 113 THR J 176 176 ILE L Protein B 2 FT #SUB 113 113 THR J 177 177 ARG L Protein A 9 FT #SUB 113 113 THR J 178 178 VAL L Protein B 1 FT #SUB 114 114 LEU J 156 156 VAL L Protein S 3 FT #SUB 114 114 LEU J 178 178 VAL L Protein A 3 FT #SUB 115 115 GLU J 114 114 ARG L Protein S 3 FT #SUB 115 115 GLU J 177 177 ARG L Protein S 6 FT #SUB 115 115 GLU J 178 178 VAL L Protein B 3 FT #SUB 115 115 GLU J 179 179 ALA L Protein B 2 FT #SUB 115 115 GLU J 180 180 ASP L Protein B 3 FT #SUB 116 116 THR J 180 180 ASP L Protein A 6 FT #SUB 116 116 THR J 182 182 ASN L Protein S 5 FT #SUB 117 117 GLU J 182 182 ASN L Protein A 9 FT #SUB 117 117 GLU J 183 183 GLN L Protein A 6 FT #SUB 117 117 GLU J 185 185 THR L Protein S 8 FT #SUB 119 119 PRO J 183 183 GLN L Protein S 1 FT #HET 52 52 PHE J 2 3008 FRU B S 2 FT #HET 68 68 VAL J 16 6501 TLA L S 3 FT DISORDER 1 6 CC SEQUENCE 120 AA (ATOM); CC KPVWDRTHHA KMATGIGDPQ CFKGMAGKSK FNVGDRVRIK DLPDLFYTRT MTYTRGATGT CC IVRLVYESPA AEDEAFGNEE NVEWFYSIVF AQKDLWPEYS DTFANDTLET EIPERYLEKA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSDSHHKPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ATOM ------KPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPD CC ******************************************** CC SEQRES LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ATOM LFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKD CC ************************************************** CC SEQRES LWPEYSDTFANDTLETEIPERYLEKA CC ATOM LWPEYSDTFANDTLETEIPERYLEKA CC ************************** SQ SEQUENCE 126 AA; MW; CN; MSDSHHKPVW DRTHHAKMAT GIGDPQCFKG MAGKSKFNVG DRVRIKDLPD LFYTRTMTYT RGATGTIVRL VYESPAAEDE AFGNEENVEW FYSIVFAQKD LWPEYSDTFA NDTLETEIPE RYLEKA // ID 2DD4K STANDARD; PRT; 157 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase beta subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 114 114 LEU K 51 51 LEU A Protein S 1 FT #SUB 114 114 LEU K 52 52 PHE A Protein B 1 FT #SUB 117 117 ALA K 52 52 PHE A Protein A 2 FT #SUB 118 118 ARG K 52 52 PHE A Protein A 8 FT #SUB 118 118 ARG K 82 82 PHE A Protein S 1 FT #SUB 121 121 VAL K 82 82 PHE A Protein S 3 FT #SUB 122 122 ASP K 82 82 PHE A Protein S 2 FT #SUB 124 124 GLN K 82 82 PHE A Protein S 3 FT #SUB 124 124 GLN K 83 83 GLY A Protein S 3 FT #SUB 124 124 GLN K 84 84 ASN A Protein S 4 FT #SUB 127 127 THR K 79 79 ASP A Protein S 1 FT #SUB 127 127 THR K 84 84 ASN A Protein A 4 FT #SUB 128 128 LEU K 51 51 LEU A Protein S 2 FT #SUB 128 128 LEU K 52 52 PHE A Protein S 2 FT #SUB 128 128 LEU K 53 53 TYR A Protein S 3 FT #SUB 128 128 LEU K 78 78 GLU A Protein S 2 FT #SUB 128 128 LEU K 82 82 PHE A Protein S 1 FT #SUB 129 129 THR K 79 79 ASP A Protein A 5 FT #SUB 129 129 THR K 121 121 ARG A Protein S 6 FT #SUB 131 131 LEU K 52 52 PHE A Protein S 2 FT #SUB 132 132 HIS K 49 49 PRO A Protein A 9 FT #SUB 132 132 HIS K 50 50 ASP A Protein S 2 FT #SUB 132 132 HIS K 51 51 LEU A Protein S 5 FT #SUB 132 132 HIS K 53 53 TYR A Protein S 1 FT #SUB 135 135 ILE K 49 49 PRO A Protein S 2 FT #SUB 136 136 VAL K 49 49 PRO A Protein S 2 FT #SUB 139 139 ARG K 49 49 PRO A Protein S 1 FT #SUB 18 18 LEU K 22 22 ALA B Protein B 1 FT #SUB 18 18 LEU K 23 23 LEU B Protein B 2 FT #SUB 18 18 LEU K 24 24 HIS B Protein A 9 FT #SUB 18 18 LEU K 25 25 GLN B Protein S 3 FT #SUB 22 22 ALA K 18 18 LEU B Protein B 1 FT #SUB 23 23 LEU K 18 18 LEU B Protein B 2 FT #SUB 24 24 HIS K 18 18 LEU B Protein A 8 FT #SUB 25 25 GLN K 18 18 LEU B Protein A 3 FT #SUB 27 27 THR K 104 104 LEU B Protein A 7 FT #SUB 27 27 THR K 105 105 GLY B Protein S 3 FT #SUB 28 28 HIS K 104 104 LEU B Protein B 3 FT #SUB 29 29 ALA K 104 104 LEU B Protein B 3 FT #SUB 29 29 ALA K 106 106 MET B Protein B 1 FT #SUB 30 30 PRO K 104 104 LEU B Protein S 1 FT #SUB 30 30 PRO K 105 105 GLY B Protein S 3 FT #SUB 30 30 PRO K 107 107 PRO B Protein B 4 FT #SUB 31 31 ALA K 63 63 LYS B Protein S 1 FT #SUB 31 31 ALA K 107 107 PRO B Protein B 2 FT #SUB 32 32 PRO K 68 68 TRP B Protein S 2 FT #SUB 32 32 PRO K 69 69 GLU B Protein S 1 FT #SUB 32 32 PRO K 107 107 PRO B Protein A 5 FT #SUB 35 35 ILE K 105 105 GLY B Protein S 1 FT #SUB 35 35 ILE K 107 107 PRO B Protein S 2 FT #SUB 40 40 PHE K 106 106 MET B Protein S 2 FT #SUB 43 43 TYR K 102 102 VAL B Protein B 1 FT #SUB 43 43 TYR K 105 105 GLY B Protein S 7 FT #SUB 43 43 TYR K 106 106 MET B Protein S 5 FT #SUB 63 63 LYS K 31 31 ALA B Protein S 1 FT #SUB 66 66 GLU K 33 33 THR B Protein S 1 FT #SUB 68 68 TRP K 32 32 PRO B Protein S 2 FT #SUB 69 69 GLU K 32 32 PRO B Protein S 1 FT #SUB 92 92 ARG K 118 118 ARG B Protein S 1 FT #SUB 92 92 ARG K 122 122 ASP B Protein S 1 FT #SUB 97 97 ASP K 97 97 ASP B Protein B 1 FT #SUB 97 97 ASP K 118 118 ARG B Protein S 8 FT #SUB 100 100 GLN K 101 101 THR B Protein S 3 FT #SUB 101 101 THR K 100 100 GLN B Protein S 3 FT #SUB 101 101 THR K 101 101 THR B Protein A 5 FT #SUB 102 102 VAL K 43 43 TYR B Protein S 1 FT #SUB 104 104 LEU K 27 27 THR B Protein A 7 FT #SUB 104 104 LEU K 28 28 HIS B Protein B 3 FT #SUB 104 104 LEU K 29 29 ALA B Protein B 3 FT #SUB 104 104 LEU K 30 30 PRO B Protein B 1 FT #SUB 105 105 GLY K 27 27 THR B Protein B 3 FT #SUB 105 105 GLY K 30 30 PRO B Protein B 3 FT #SUB 105 105 GLY K 35 35 ILE B Protein B 1 FT #SUB 105 105 GLY K 43 43 TYR B Protein B 8 FT #SUB 106 106 MET K 29 29 ALA B Protein B 1 FT #SUB 106 106 MET K 40 40 PHE B Protein S 2 FT #SUB 106 106 MET K 43 43 TYR B Protein S 5 FT #SUB 107 107 PRO K 30 30 PRO B Protein A 4 FT #SUB 107 107 PRO K 31 31 ALA B Protein S 1 FT #SUB 107 107 PRO K 32 32 PRO B Protein S 5 FT #SUB 107 107 PRO K 35 35 ILE B Protein S 2 FT #SUB 114 114 LEU K 44 44 THR B Protein S 1 FT #SUB 118 118 ARG K 92 92 ARG B Protein S 3 FT #SUB 118 118 ARG K 97 97 ASP B Protein S 9 FT #SUB 122 122 ASP K 92 92 ARG B Protein S 1 FT #SUB 28 28 HIS K 153 153 ARG C Protein S 2 FT #SUB 29 29 ALA K 149 149 PRO C Protein S 2 FT #SUB 31 31 ALA K 233 233 LEU C Protein S 1 FT #SUB 35 35 ILE K 27 27 PHE C Protein S 1 FT #SUB 37 37 HIS K 26 26 ASP C Protein A 8 FT #SUB 40 40 PHE K 26 26 ASP C Protein S 11 FT #SUB 40 40 PHE K 27 27 PHE C Protein S 4 FT #SUB 20 20 GLN K 26 26 GLN E Protein S 1 FT #SUB 20 20 GLN K 27 27 THR E Protein S 3 FT #SUB 20 20 GLN K 28 28 HIS E Protein S 6 FT #SUB 21 21 PRO K 26 26 GLN E Protein B 2 FT #SUB 21 21 PRO K 27 27 THR E Protein A 5 FT #SUB 22 22 ALA K 24 24 HIS E Protein S 2 FT #SUB 22 22 ALA K 25 25 GLN E Protein A 4 FT #SUB 22 22 ALA K 26 26 GLN E Protein S 2 FT #SUB 22 22 ALA K 27 27 THR E Protein B 1 FT #SUB 23 23 LEU K 23 23 LEU E Protein B 1 FT #SUB 23 23 LEU K 25 25 GLN E Protein B 7 FT #SUB 23 23 LEU K 27 27 THR E Protein S 1 FT #SUB 23 23 LEU K 43 43 TYR E Protein S 1 FT #SUB 24 24 HIS K 22 22 ALA E Protein S 2 FT #SUB 24 24 HIS K 24 24 HIS E Protein S 6 FT #SUB 25 25 GLN K 22 22 ALA E Protein B 4 FT #SUB 25 25 GLN K 23 23 LEU E Protein A 7 FT #SUB 26 26 GLN K 20 20 GLN E Protein S 2 FT #SUB 26 26 GLN K 21 21 PRO E Protein B 2 FT #SUB 26 26 GLN K 22 22 ALA E Protein B 2 FT #SUB 27 27 THR K 20 20 GLN E Protein B 2 FT #SUB 27 27 THR K 21 21 PRO E Protein A 5 FT #SUB 28 28 HIS K 20 20 GLN E Protein S 6 FT #SUB 43 43 TYR K 23 23 LEU E Protein S 2 FT #SUB 5 5 ILE K 61 61 ARG G Protein S 2 FT #SUB 5 5 ILE K 62 62 GLY G Protein S 2 FT #SUB 6 6 ARG K 59 59 TYR G Protein S 4 FT #SUB 6 6 ARG K 60 60 THR G Protein S 3 FT #SUB 6 6 ARG K 61 61 ARG G Protein S 6 FT #SUB 6 6 ARG K 62 62 GLY G Protein S 1 FT #SUB 6 6 ARG K 63 63 ALA G Protein S 1 FT #SUB 6 6 ARG K 101 101 LEU G Protein S 4 FT #SUB 9 9 VAL K 58 58 THR G Protein S 2 FT #SUB 9 9 VAL K 61 61 ARG G Protein S 2 FT #SUB 10 10 HIS K 101 101 LEU G Protein S 2 FT #SUB 10 10 HIS K 103 103 PRO G Protein S 5 FT #SUB 12 12 HIS K 58 58 THR G Protein S 1 FT #SUB 59 59 GLU K 104 104 GLU G Protein S 5 FT #SUB 8 8 GLU K 37 37 HIS H Protein S 6 FT #SUB 8 8 GLU K 41 41 ARG H Protein S 5 FT #SUB 11 11 ARG K 38 38 THR H Protein S 1 FT #SUB 12 12 HIS K 41 41 ARG H Protein S 4 FT #SUB 12 12 HIS K 42 42 ALA H Protein S 1 FT #SUB 12 12 HIS K 45 45 ARG H Protein S 1 FT #SUB 13 13 LEU K 51 51 GLY H Protein S 1 FT #SUB 15 15 THR K 38 38 THR H Protein S 3 FT #SUB 15 15 THR K 42 42 ALA H Protein S 1 FT #SUB 16 16 VAL K 45 45 ARG H Protein S 2 FT #SUB 16 16 VAL K 53 53 GLU H Protein S 3 FT #SUB 19 19 MET K 42 42 ALA H Protein S 7 FT #SUB 19 19 MET K 43 43 TYR H Protein S 2 FT #SUB 19 19 MET K 100 100 GLN H Protein B 1 FT #SUB 20 20 GLN K 104 104 LEU H Protein S 2 FT #SUB 21 21 PRO K 100 100 GLN H Protein S 4 FT #SUB 21 21 PRO K 101 101 THR H Protein S 1 FT #SUB 21 21 PRO K 104 104 LEU H Protein S 1 FT #SUB 24 24 HIS K 24 24 HIS H Protein S 17 FT #SUB 26 26 GLN K 26 26 GLN H Protein S 1 FT #SUB 37 37 HIS K 8 8 GLU H Protein S 5 FT #SUB 38 38 THR K 11 11 ARG H Protein S 3 FT #SUB 38 38 THR K 15 15 THR H Protein S 2 FT #SUB 39 39 LEU K 19 19 MET H Protein S 1 FT #SUB 41 41 ARG K 8 8 GLU H Protein S 5 FT #SUB 41 41 ARG K 12 12 HIS H Protein A 5 FT #SUB 42 42 ALA K 12 12 HIS H Protein B 1 FT #SUB 42 42 ALA K 15 15 THR H Protein S 1 FT #SUB 42 42 ALA K 19 19 MET H Protein A 4 FT #SUB 43 43 TYR K 19 19 MET H Protein A 8 FT #SUB 45 45 ARG K 12 12 HIS H Protein S 1 FT #SUB 45 45 ARG K 16 16 VAL H Protein S 4 FT #SUB 51 51 GLY K 13 13 LEU H Protein B 1 FT #SUB 53 53 GLU K 16 16 VAL H Protein S 3 FT #SUB 54 54 ALA K 56 56 VAL H Protein A 2 FT #SUB 55 55 ASP K 56 56 VAL H Protein B 6 FT #SUB 55 55 ASP K 57 57 PRO H Protein B 1 FT #SUB 56 56 VAL K 54 54 ALA H Protein S 1 FT #SUB 56 56 VAL K 55 55 ASP H Protein A 6 FT #SUB 56 56 VAL K 56 56 VAL H Protein A 3 FT #SUB 57 57 PRO K 55 55 ASP H Protein S 1 FT #SUB 100 100 GLN K 19 19 MET H Protein S 1 FT #SUB 100 100 GLN K 21 21 PRO H Protein A 3 FT #SUB 101 101 THR K 21 21 PRO H Protein B 1 FT #SUB 104 104 LEU K 20 20 GLN H Protein S 2 FT #SUB 104 104 LEU K 21 21 PRO H Protein S 1 FT #SUB 13 13 LEU K 157 157 ARG I Protein S 1 FT #SUB 20 20 GLN K 153 153 ARG I Protein S 3 FT #SUB 57 57 PRO K 158 158 TRP I Protein S 4 FT #SUB 41 41 ARG K 47 47 ASP J Protein S 8 FT #SUB 44 44 THR K 51 51 LEU J Protein S 1 FT #SUB 46 46 VAL K 50 50 ASP J Protein S 1 FT #SUB 46 46 VAL K 54 54 THR J Protein S 1 FT #SUB 48 48 HIS K 53 53 TYR J Protein S 1 FT #SUB 48 48 HIS K 54 54 THR J Protein S 2 FT #SUB 48 48 HIS K 55 55 ARG J Protein S 1 FT #SUB 49 49 ASP K 57 57 MET J Protein S 7 FT #SUB 49 49 ASP K 58 58 THR J Protein S 7 FT #SUB 51 51 GLY K 59 59 TYR J Protein B 3 FT #SUB 52 52 GLY K 102 102 TRP J Protein B 2 FT #SUB 82 82 ARG K 12 12 ARG J Protein B 4 FT #SUB 83 83 GLY K 12 12 ARG J Protein B 9 FT #SUB 84 84 VAL K 12 12 ARG J Protein S 1 FT #SUB 86 86 THR K 80 80 GLU J Protein S 1 FT #SUB 86 86 THR K 85 85 GLU J Protein S 1 FT #SUB 88 88 GLU K 53 53 TYR J Protein S 5 FT #SUB 88 88 GLU K 55 55 ARG J Protein S 6 FT #SUB 88 88 GLU K 77 77 ALA J Protein S 2 FT #SUB 88 88 GLU K 80 80 GLU J Protein S 2 FT #SUB 88 88 GLU K 81 81 ALA J Protein A 5 FT #SUB 89 89 GLU K 80 80 GLU J Protein S 1 FT #SUB 89 89 GLU K 81 81 ALA J Protein A 7 FT #SUB 89 89 GLU K 83 83 GLY J Protein S 2 FT #SUB 91 91 ARG K 53 53 TYR J Protein S 1 FT #SUB 91 91 ARG K 55 55 ARG J Protein S 3 FT #SUB 92 92 ARG K 53 53 TYR J Protein A 9 FT #SUB 92 92 ARG K 81 81 ALA J Protein S 4 FT #SUB 92 92 ARG K 82 82 PHE J Protein S 11 FT #SUB 96 96 CYS K 53 53 TYR J Protein S 2 FT #SUB 123 123 LYS K 10 10 TRP J Protein A 10 FT #SUB 124 124 GLN K 7 7 LYS J Protein S 2 FT #SUB 124 124 GLN K 8 8 PRO J Protein S 1 FT #SUB 125 125 PHE K 12 12 ARG J Protein S 2 FT #SUB 48 48 HIS K 129 129 THR L Protein B 1 FT #SUB 48 48 HIS K 130 130 LEU L Protein A 9 FT #SUB 48 48 HIS K 152 152 ARG L Protein B 1 FT #SUB 49 49 ASP K 130 130 LEU L Protein B 1 FT #SUB 50 50 VAL K 129 129 THR L Protein S 1 FT #SUB 50 50 VAL K 152 152 ARG L Protein S 2 FT #SUB 50 50 VAL K 153 153 ARG L Protein A 5 FT #SUB 51 51 GLY K 152 152 ARG L Protein B 1 FT #SUB 51 51 GLY K 153 153 ARG L Protein B 1 FT #SUB 52 52 GLY K 153 153 ARG L Protein B 4 FT #SUB 52 52 GLY K 156 156 VAL L Protein B 1 FT #SUB 52 52 GLY K 157 157 ARG L Protein B 4 FT #SUB 53 53 GLU K 153 153 ARG L Protein A 12 FT #SUB 53 53 GLU K 158 158 TRP L Protein B 1 FT #SUB 54 54 ALA K 158 158 TRP L Protein B 1 FT #SUB 55 55 ASP K 150 150 ASN L Protein S 8 FT #SUB 55 55 ASP K 153 153 ARG L Protein S 4 FT #SUB 55 55 ASP K 154 154 ARG L Protein A 3 FT #SUB 56 56 VAL K 150 150 ASN L Protein B 4 FT #SUB 56 56 VAL K 154 154 ARG L Protein B 5 FT #SUB 57 57 PRO K 154 154 ARG L Protein A 5 FT #SUB 57 57 PRO K 165 165 GLU L Protein S 2 FT #SUB 58 58 ILE K 150 150 ASN L Protein S 5 FT #SUB 59 59 GLU K 231 231 PRO L Protein S 2 FT #SUB 60 60 TYR K 145 145 TRP L Protein S 4 FT #SUB 60 60 TYR K 148 148 SER L Protein S 1 FT #SUB 60 60 TYR K 150 150 ASN L Protein S 5 FT #SUB 60 60 TYR K 151 151 TYR L Protein S 3 FT #SUB 60 60 TYR K 154 154 ARG L Protein S 2 FT #SUB 60 60 TYR K 166 166 PHE L Protein S 4 FT #SUB 60 60 TYR K 230 230 ARG L Protein B 2 FT #SUB 60 60 TYR K 231 231 PRO L Protein B 1 FT #SUB 61 61 HIS K 144 144 GLU L Protein A 2 FT #SUB 61 61 HIS K 145 145 TRP L Protein B 3 FT #SUB 61 61 HIS K 231 231 PRO L Protein A 4 FT #SUB 61 61 HIS K 233 233 LEU L Protein S 1 FT #SUB 62 62 GLU K 143 143 PRO L Protein S 1 FT #SUB 62 62 GLU K 145 145 TRP L Protein S 4 FT #SUB 62 62 GLU K 211 211 ARG L Protein S 8 FT #SUB 62 62 GLU K 230 230 ARG L Protein S 3 FT #SUB 62 62 GLU K 231 231 PRO L Protein B 3 FT #SUB 62 62 GLU K 232 232 VAL L Protein B 2 FT #SUB 62 62 GLU K 233 233 LEU L Protein B 4 FT #SUB 63 63 LYS K 144 144 GLU L Protein A 11 FT #SUB 63 63 LYS K 233 233 LEU L Protein A 7 FT #SUB 64 64 GLU K 233 233 LEU L Protein A 3 FT #SUB 64 64 GLU K 234 234 LYS L Protein S 8 FT #SUB 64 64 GLU K 235 235 ALA L Protein A 9 FT #SUB 64 64 GLU K 238 238 PRO L Protein S 4 FT #SUB 65 65 GLU K 235 235 ALA L Protein B 1 FT #SUB 65 65 GLU K 238 238 PRO L Protein B 3 FT #SUB 65 65 GLU K 239 239 VAL L Protein A 5 FT #SUB 66 66 GLU K 235 235 ALA L Protein S 7 FT #SUB 66 66 GLU K 236 236 ASN L Protein S 9 FT #SUB 66 66 GLU K 237 237 ARG L Protein A 8 FT #SUB 66 66 GLU K 239 239 VAL L Protein B 2 FT #SUB 67 67 ILE K 237 237 ARG L Protein A 5 FT #SUB 67 67 ILE K 238 238 PRO L Protein S 3 FT #SUB 67 67 ILE K 239 239 VAL L Protein A 4 FT #SUB 68 68 TRP K 27 27 PHE L Protein S 12 FT #SUB 68 68 TRP K 28 28 GLU L Protein S 2 FT #SUB 68 68 TRP K 31 31 GLU L Protein B 1 FT #SUB 70 70 LEU K 53 53 LYS L Protein S 2 FT #SUB 70 70 LEU K 239 239 VAL L Protein S 1 FT #SUB 71 71 ASN K 31 31 GLU L Protein S 5 FT #SUB 71 71 ASN K 35 35 ARG L Protein S 4 FT #SUB 71 71 ASN K 49 49 HIS L Protein A 8 FT #SUB 71 71 ASN K 53 53 LYS L Protein S 4 FT #SUB 72 72 THR K 31 31 GLU L Protein S 1 FT #SUB 73 73 PHE K 52 52 TRP L Protein S 1 FT #SUB 73 73 PHE K 56 56 VAL L Protein S 1 FT #SUB 73 73 PHE K 136 136 ARG L Protein S 6 FT #SUB 73 73 PHE K 141 141 GLN L Protein S 3 FT #SUB 74 74 ALA K 49 49 HIS L Protein S 3 FT #SUB 74 74 ALA K 52 52 TRP L Protein B 1 FT #SUB 74 74 ALA K 53 53 LYS L Protein S 1 FT #SUB 75 75 THR K 44 44 PHE L Protein A 3 FT #SUB 75 75 THR K 49 49 HIS L Protein A 5 FT #SUB 77 77 GLU K 52 52 TRP L Protein S 8 FT #SUB 77 77 GLU K 106 106 THR L Protein S 1 FT #SUB 77 77 GLU K 107 107 PRO L Protein A 5 FT #SUB 77 77 GLU K 108 108 SER L Protein S 10 FT #SUB 78 78 CYS K 44 44 PHE L Protein S 2 FT #SUB 78 78 CYS K 48 48 ASP L Protein S 2 FT #SUB 78 78 CYS K 49 49 HIS L Protein S 2 FT #SUB 78 78 CYS K 52 52 TRP L Protein S 1 FT #SUB 79 79 LEU K 44 44 PHE L Protein S 3 FT #SUB 80 80 ALA K 107 107 PRO L Protein S 2 FT #SUB 81 81 TRP K 48 48 ASP L Protein S 7 FT #SUB 81 81 TRP K 52 52 TRP L Protein S 1 FT #SUB 81 81 TRP K 102 102 THR L Protein S 5 FT #SUB 81 81 TRP K 104 104 PHE L Protein B 1 FT #SUB 81 81 TRP K 107 107 PRO L Protein B 1 FT #SUB 82 82 ARG K 43 43 LEU L Protein S 2 FT #SUB 82 82 ARG K 44 44 PHE L Protein S 1 FT #SUB 82 82 ARG K 48 48 ASP L Protein S 11 FT #SUB 84 84 VAL K 43 43 LEU L Protein S 1 FT #SUB 87 87 ALA K 107 107 PRO L Protein S 2 FT #SUB 87 87 ALA K 108 108 SER L Protein S 2 FT #SUB 87 87 ALA K 110 110 TYR L Protein S 1 FT #SUB 88 88 GLU K 110 110 TYR L Protein A 2 FT #SUB 90 90 ARG K 108 108 SER L Protein S 4 FT #SUB 91 91 ARG K 108 108 SER L Protein S 4 FT #SUB 91 91 ARG K 110 110 TYR L Protein S 5 FT #SUB 91 91 ARG K 131 131 CYS L Protein S 1 FT #SUB 91 91 ARG K 133 133 CYS L Protein S 1 FT #SUB 91 91 ARG K 186 186 ARG L Protein S 1 FT #SUB 95 95 ASN K 131 131 CYS L Protein S 1 FT #SUB 103 103 TYR K 152 152 ARG L Protein S 4 FT #SUB 104 104 LEU K 149 149 PRO L Protein S 2 FT #SUB 104 104 LEU K 153 153 ARG L Protein S 1 FT #SUB 106 106 MET K 27 27 PHE L Protein S 2 FT #SUB 107 107 PRO K 27 27 PHE L Protein S 2 FT #SUB 108 108 TYR K 132 132 SER L Protein S 4 FT #SUB 108 108 TYR K 147 147 ARG L Protein S 8 FT #SUB 109 109 TYR K 141 141 GLN L Protein S 1 FT #SUB 109 109 TYR K 147 147 ARG L Protein S 1 FT #SUB 110 110 GLY K 27 27 PHE L Protein B 1 FT #SUB 112 112 TRP K 136 136 ARG L Protein S 1 FT #SUB 113 113 LEU K 27 27 PHE L Protein S 1 FT #SUB 113 113 LEU K 30 30 LEU L Protein S 5 FT #SUB 113 113 LEU K 31 31 GLU L Protein S 3 FT #SUB 114 114 LEU K 30 30 LEU L Protein S 1 FT #SUB 117 117 ALA K 34 34 VAL L Protein A 2 FT #SUB 120 120 LEU K 34 34 VAL L Protein S 1 FT #SUB 120 120 LEU K 43 43 LEU L Protein S 1 FT #SUB 125 125 PHE K 41 41 LYS L Protein B 3 FT #SUB 125 125 PHE K 43 43 LEU L Protein S 2 FT #SUB 126 126 VAL K 41 41 LYS L Protein S 1 FT #SUB 130 130 GLU K 41 41 LYS L Protein S 6 FT #SUB 131 131 LEU K 37 37 LEU L Protein A 2 FT #SUB 134 134 LYS K 33 33 ALA L Protein S 4 FT #SUB 134 134 LYS K 36 36 GLU L Protein S 1 FT #SUB 134 134 LYS K 37 37 LEU L Protein S 5 FT #SUB 134 134 LYS K 40 40 GLU L Protein S 4 FT #SUB 138 138 MET K 29 29 ILE L Protein S 2 FT #SUB 138 138 MET K 32 32 MET L Protein S 1 FT #SUB 138 138 MET K 33 33 ALA L Protein S 1 FT #SUB 138 138 MET K 36 36 GLU L Protein S 1 FT #SUB 139 139 ARG K 29 29 ILE L Protein S 1 FT #SUB 141 141 ARG K 32 32 MET L Protein S 1 FT #SUB 141 141 ARG K 36 36 GLU L Protein S 8 FT #SUB 148 148 LEU K 24 24 VAL L Protein S 1 FT #SUB 148 148 LEU K 32 32 MET L Protein S 4 FT #SUB 149 149 GLY K 32 32 MET L Protein B 2 FT #SUB 150 150 GLU K 35 35 ARG L Protein S 1 FT #SUB 150 150 GLU K 53 53 LYS L Protein S 1 FT #SUB 151 151 TYR K 28 28 GLU L Protein S 4 FT #SUB 151 151 TYR K 31 31 GLU L Protein S 6 FT #SUB 151 151 TYR K 32 32 MET L Protein S 2 FT #SUB 151 151 TYR K 237 237 ARG L Protein A 6 FT #SUB 152 152 LEU K 24 24 VAL L Protein S 1 FT #HET 10 10 HIS K 13 3003 FRU K A 14 FT #HET 13 13 LEU K 13 3003 FRU K S 4 FT #HET 47 47 PRO K 2 3008 FRU B S 2 FT #HET 52 52 GLY K 8 3004 FRU H B 1 FT #HET 54 54 ALA K 8 3004 FRU H B 1 FT #HET 90 90 ARG K 15 6401 TLA L S 6 FT #HET 91 91 ARG K 15 6401 TLA L S 11 FT #HET 94 94 GLN K 15 6401 TLA L S 4 FT #HET 95 95 ASN K 15 6401 TLA L S 4 FT #HET 96 96 CYS K 2 3008 FRU B B 3 FT #HET 97 97 ASP K 2 3008 FRU B B 5 FT #HET 97 97 ASP K 14 3005 FRU K B 6 FT #HET 98 98 VAL K 14 3005 FRU K A 9 FT #HET 99 99 GLY K 2 3008 FRU B B 3 FT #HET 108 108 TYR K 15 6401 TLA L S 4 FT #HET 112 112 TRP K 15 6401 TLA L S 5 FT #HET 118 118 ARG K 14 3005 FRU K S 6 FT DISORDER 1 2 FT DISORDER 155 157 CC SEQUENCE 152 AA (ATOM); CC SSIREEVHRH LGTVALMQPA LHQQTHAPAP TEITHTLFRA YTRVPHDVGG EADVPIEYHE CC KEEEIWELNT FATCECLAWR GVWTAEERRR KQNCDVGQTV YLGMPYYGRW LLTAARILVD CC KQFVTLTELH NKIVEMRERV ASGQGLGEYL PP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ATOM --SSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDV CC ************************************************ CC SEQRES GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ATOM GGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQ CC ************************************************** CC SEQRES TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ATOM TVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGE CC ************************************************** CC SEQRES YLPPKAK CC ATOM YLPP--- CC **** SQ SEQUENCE 157 AA; MW; CN; MSSSIREEVH RHLGTVALMQ PALHQQTHAP APTEITHTLF RAYTRVPHDV GGEADVPIEY HEKEEEIWEL NTFATCECLA WRGVWTAEER RRKQNCDVGQ TVYLGMPYYG RWLLTAARIL VDKQFVTLTE LHNKIVEMRE RVASGQGLGE YLPPKAK // ID 2DD4L STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 2DD4 DE Thiocyanate hydrolase gamma subunit OS Thiobacillus thioparus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.060 CC R-Factor 0.165 FT #SUB 26 26 ASP L 37 37 HIS B Protein S 8 FT #SUB 26 26 ASP L 40 40 PHE B Protein S 11 FT #SUB 27 27 PHE L 40 40 PHE B Protein S 4 FT #SUB 149 149 PRO L 29 29 ALA B Protein S 2 FT #SUB 153 153 ARG L 28 28 HIS B Protein S 2 FT #SUB 233 233 LEU L 31 31 ALA B Protein S 1 FT #SUB 236 236 ASN L 33 33 THR B Protein B 1 FT #SUB 164 164 ALA L 109 109 PHE G Protein B 1 FT #SUB 167 167 GLY L 106 106 SER G Protein B 3 FT #SUB 167 167 GLY L 108 108 THR G Protein B 6 FT #SUB 169 169 GLN L 109 109 PHE G Protein S 2 FT #SUB 153 153 ARG L 20 20 GLN H Protein S 3 FT #SUB 157 157 ARG L 13 13 LEU H Protein S 1 FT #SUB 158 158 TRP L 57 57 PRO H Protein S 6 FT #SUB 161 161 GLN L 161 161 GLN I Protein A 10 FT #SUB 161 161 GLN L 164 164 ALA I Protein S 2 FT #SUB 161 161 GLN L 165 165 GLU I Protein S 3 FT #SUB 165 165 GLU L 161 161 GLN I Protein A 3 FT #SUB 169 169 GLN L 169 169 GLN I Protein S 9 FT #SUB 169 169 GLN L 170 170 LEU I Protein S 4 FT #SUB 169 169 GLN L 171 171 PRO I Protein S 2 FT #SUB 169 169 GLN L 172 172 SER I Protein S 1 FT #SUB 170 170 LEU L 169 169 GLN I Protein B 3 FT #SUB 172 172 SER L 169 169 GLN I Protein B 1 FT #SUB 42 42 GLY L 12 12 ARG J Protein B 1 FT #SUB 83 83 GLU L 69 69 ARG J Protein A 9 FT #SUB 97 97 VAL L 21 21 GLY J Protein S 1 FT #SUB 97 97 VAL L 22 22 ILE J Protein S 4 FT #SUB 97 97 VAL L 23 23 GLY J Protein S 1 FT #SUB 103 103 GLN L 20 20 THR J Protein A 4 FT #SUB 103 103 GLN L 21 21 GLY J Protein B 3 FT #SUB 104 104 PHE L 15 15 HIS J Protein S 2 FT #SUB 104 104 PHE L 16 16 ALA J Protein S 2 FT #SUB 104 104 PHE L 19 19 ALA J Protein A 4 FT #SUB 104 104 PHE L 20 20 THR J Protein S 3 FT #SUB 104 104 PHE L 23 23 GLY J Protein B 1 FT #SUB 104 104 PHE L 24 24 ASP J Protein B 1 FT #SUB 110 110 TYR L 24 24 ASP J Protein A 6 FT #SUB 111 111 CYS L 23 23 GLY J Protein S 1 FT #SUB 111 111 CYS L 24 24 ASP J Protein A 6 FT #SUB 111 111 CYS L 26 26 GLN J Protein A 7 FT #SUB 112 112 ASN L 71 71 VAL J Protein S 1 FT #SUB 112 112 ASN L 72 72 TYR J Protein S 3 FT #SUB 114 114 ARG L 69 69 ARG J Protein S 4 FT #SUB 114 114 ARG L 93 93 SER J Protein S 1 FT #SUB 114 114 ARG L 115 115 GLU J Protein S 3 FT #SUB 129 129 THR L 57 57 MET J Protein S 1 FT #SUB 130 130 LEU L 55 55 ARG J Protein S 7 FT #SUB 130 130 LEU L 57 57 MET J Protein S 2 FT #SUB 131 131 CYS L 55 55 ARG J Protein S 1 FT #SUB 156 156 VAL L 59 59 TYR J Protein S 1 FT #SUB 156 156 VAL L 98 98 GLN J Protein B 3 FT #SUB 156 156 VAL L 102 102 TRP J Protein B 4 FT #SUB 156 156 VAL L 114 114 LEU J Protein A 3 FT #SUB 157 157 ARG L 102 102 TRP J Protein A 15 FT #SUB 157 157 ARG L 104 104 GLU J Protein S 10 FT #SUB 157 157 ARG L 105 105 TYR J Protein B 2 FT #SUB 158 158 TRP L 104 104 GLU J Protein S 1 FT #SUB 159 159 PRO L 98 98 GLN J Protein S 2 FT #SUB 159 159 PRO L 105 105 TYR J Protein S 2 FT #SUB 160 160 ARG L 109 109 PHE J Protein S 11 FT #SUB 160 160 ARG L 112 112 ASP J Protein S 10 FT #SUB 172 172 SER L 108 108 THR J Protein A 5 FT #SUB 172 172 SER L 109 109 PHE J Protein A 6 FT #SUB 173 173 GLU L 111 111 ASN J Protein B 4 FT #SUB 174 174 VAL L 112 112 ASP J Protein B 1 FT #SUB 175 175 GLN L 111 111 ASN J Protein A 5 FT #SUB 175 175 GLN L 112 112 ASP J Protein B 1 FT #SUB 175 175 GLN L 113 113 THR J Protein S 5 FT #SUB 176 176 ILE L 112 112 ASP J Protein A 10 FT #SUB 176 176 ILE L 113 113 THR J Protein B 2 FT #SUB 177 177 ARG L 95 95 VAL J Protein S 4 FT #SUB 177 177 ARG L 113 113 THR J Protein A 9 FT #SUB 177 177 ARG L 115 115 GLU J Protein S 6 FT #SUB 178 178 VAL L 113 113 THR J Protein B 1 FT #SUB 178 178 VAL L 114 114 LEU J Protein B 3 FT #SUB 178 178 VAL L 115 115 GLU J Protein B 3 FT #SUB 179 179 ALA L 115 115 GLU J Protein B 2 FT #SUB 180 180 ASP L 57 57 MET J Protein S 3 FT #SUB 180 180 ASP L 59 59 TYR J Protein S 5 FT #SUB 180 180 ASP L 115 115 GLU J Protein B 3 FT #SUB 180 180 ASP L 116 116 THR J Protein A 6 FT #SUB 182 182 ASN L 55 55 ARG J Protein A 9 FT #SUB 182 182 ASN L 57 57 MET J Protein S 4 FT #SUB 182 182 ASN L 116 116 THR J Protein S 5 FT #SUB 182 182 ASN L 117 117 GLU J Protein S 9 FT #SUB 183 183 GLN L 55 55 ARG J Protein S 5 FT #SUB 183 183 GLN L 72 72 TYR J Protein A 2 FT #SUB 183 183 GLN L 91 91 PHE J Protein S 4 FT #SUB 183 183 GLN L 117 117 GLU J Protein S 6 FT #SUB 183 183 GLN L 119 119 PRO J Protein S 1 FT #SUB 184 184 LYS L 24 24 ASP J Protein S 5 FT #SUB 184 184 LYS L 28 28 PHE J Protein S 1 FT #SUB 184 184 LYS L 72 72 TYR J Protein A 6 FT #SUB 184 184 LYS L 74 74 SER J Protein S 3 FT #SUB 184 184 LYS L 80 80 GLU J Protein S 6 FT #SUB 185 185 THR L 72 72 TYR J Protein A 2 FT #SUB 185 185 THR L 117 117 GLU J Protein A 8 FT #SUB 24 24 VAL L 148 148 LEU K Protein S 1 FT #SUB 24 24 VAL L 152 152 LEU K Protein S 1 FT #SUB 27 27 PHE L 68 68 TRP K Protein S 12 FT #SUB 27 27 PHE L 106 106 MET K Protein S 2 FT #SUB 27 27 PHE L 107 107 PRO K Protein S 2 FT #SUB 27 27 PHE L 110 110 GLY K Protein S 1 FT #SUB 27 27 PHE L 113 113 LEU K Protein B 1 FT #SUB 28 28 GLU L 68 68 TRP K Protein S 2 FT #SUB 28 28 GLU L 151 151 TYR K Protein A 4 FT #SUB 29 29 ILE L 138 138 MET K Protein A 2 FT #SUB 29 29 ILE L 139 139 ARG K Protein S 1 FT #SUB 30 30 LEU L 113 113 LEU K Protein S 5 FT #SUB 30 30 LEU L 114 114 LEU K Protein S 1 FT #SUB 31 31 GLU L 68 68 TRP K Protein S 1 FT #SUB 31 31 GLU L 71 71 ASN K Protein S 5 FT #SUB 31 31 GLU L 72 72 THR K Protein S 1 FT #SUB 31 31 GLU L 113 113 LEU K Protein B 3 FT #SUB 31 31 GLU L 151 151 TYR K Protein S 6 FT #SUB 32 32 MET L 138 138 MET K Protein S 1 FT #SUB 32 32 MET L 141 141 ARG K Protein S 1 FT #SUB 32 32 MET L 148 148 LEU K Protein S 4 FT #SUB 32 32 MET L 149 149 GLY K Protein S 2 FT #SUB 32 32 MET L 151 151 TYR K Protein S 2 FT #SUB 33 33 ALA L 134 134 LYS K Protein A 4 FT #SUB 33 33 ALA L 138 138 MET K Protein B 1 FT #SUB 34 34 VAL L 117 117 ALA K Protein S 2 FT #SUB 34 34 VAL L 120 120 LEU K Protein B 1 FT #SUB 35 35 ARG L 71 71 ASN K Protein S 4 FT #SUB 35 35 ARG L 150 150 GLU K Protein S 1 FT #SUB 36 36 GLU L 134 134 LYS K Protein S 1 FT #SUB 36 36 GLU L 138 138 MET K Protein S 1 FT #SUB 36 36 GLU L 141 141 ARG K Protein S 8 FT #SUB 37 37 LEU L 131 131 LEU K Protein S 2 FT #SUB 37 37 LEU L 134 134 LYS K Protein S 5 FT #SUB 40 40 GLU L 134 134 LYS K Protein S 4 FT #SUB 41 41 LYS L 125 125 PHE K Protein S 3 FT #SUB 41 41 LYS L 126 126 VAL K Protein S 1 FT #SUB 41 41 LYS L 130 130 GLU K Protein S 6 FT #SUB 43 43 LEU L 82 82 ARG K Protein B 2 FT #SUB 43 43 LEU L 84 84 VAL K Protein S 1 FT #SUB 43 43 LEU L 120 120 LEU K Protein S 1 FT #SUB 43 43 LEU L 125 125 PHE K Protein S 2 FT #SUB 44 44 PHE L 75 75 THR K Protein S 3 FT #SUB 44 44 PHE L 78 78 CYS K Protein S 2 FT #SUB 44 44 PHE L 79 79 LEU K Protein S 3 FT #SUB 44 44 PHE L 82 82 ARG K Protein S 1 FT #SUB 48 48 ASP L 78 78 CYS K Protein B 2 FT #SUB 48 48 ASP L 81 81 TRP K Protein A 7 FT #SUB 48 48 ASP L 82 82 ARG K Protein S 11 FT #SUB 49 49 HIS L 71 71 ASN K Protein S 8 FT #SUB 49 49 HIS L 74 74 ALA K Protein S 3 FT #SUB 49 49 HIS L 75 75 THR K Protein S 5 FT #SUB 49 49 HIS L 78 78 CYS K Protein B 2 FT #SUB 52 52 TRP L 73 73 PHE K Protein S 1 FT #SUB 52 52 TRP L 74 74 ALA K Protein S 1 FT #SUB 52 52 TRP L 77 77 GLU K Protein S 8 FT #SUB 52 52 TRP L 78 78 CYS K Protein S 1 FT #SUB 52 52 TRP L 81 81 TRP K Protein S 1 FT #SUB 53 53 LYS L 70 70 LEU K Protein S 2 FT #SUB 53 53 LYS L 71 71 ASN K Protein S 4 FT #SUB 53 53 LYS L 74 74 ALA K Protein S 1 FT #SUB 53 53 LYS L 150 150 GLU K Protein S 1 FT #SUB 56 56 VAL L 73 73 PHE K Protein S 1 FT #SUB 102 102 THR L 81 81 TRP K Protein A 5 FT #SUB 104 104 PHE L 81 81 TRP K Protein S 1 FT #SUB 106 106 THR L 77 77 GLU K Protein S 1 FT #SUB 107 107 PRO L 77 77 GLU K Protein A 5 FT #SUB 107 107 PRO L 80 80 ALA K Protein S 2 FT #SUB 107 107 PRO L 81 81 TRP K Protein S 1 FT #SUB 107 107 PRO L 87 87 ALA K Protein B 2 FT #SUB 108 108 SER L 77 77 GLU K Protein A 10 FT #SUB 108 108 SER L 87 87 ALA K Protein A 2 FT #SUB 108 108 SER L 90 90 ARG K Protein S 4 FT #SUB 108 108 SER L 91 91 ARG K Protein A 4 FT #SUB 110 110 TYR L 87 87 ALA K Protein S 1 FT #SUB 110 110 TYR L 88 88 GLU K Protein S 2 FT #SUB 110 110 TYR L 91 91 ARG K Protein S 5 FT #SUB 129 129 THR L 48 48 HIS K Protein B 1 FT #SUB 129 129 THR L 50 50 VAL K Protein B 1 FT #SUB 130 130 LEU L 48 48 HIS K Protein A 9 FT #SUB 130 130 LEU L 49 49 ASP K Protein S 1 FT #SUB 131 131 CYS L 91 91 ARG K Protein S 1 FT #SUB 131 131 CYS L 95 95 ASN K Protein S 1 FT #SUB 132 132 SER L 108 108 TYR K Protein S 4 FT #SUB 133 133 CYS L 91 91 ARG K Protein S 1 FT #SUB 136 136 ARG L 73 73 PHE K Protein S 6 FT #SUB 136 136 ARG L 112 112 TRP K Protein S 1 FT #SUB 141 141 GLN L 73 73 PHE K Protein S 3 FT #SUB 141 141 GLN L 109 109 TYR K Protein S 1 FT #SUB 143 143 PRO L 62 62 GLU K Protein S 1 FT #SUB 144 144 GLU L 61 61 HIS K Protein S 2 FT #SUB 144 144 GLU L 63 63 LYS K Protein S 11 FT #SUB 145 145 TRP L 60 60 TYR K Protein S 4 FT #SUB 145 145 TRP L 61 61 HIS K Protein A 3 FT #SUB 145 145 TRP L 62 62 GLU K Protein S 4 FT #SUB 147 147 ARG L 108 108 TYR K Protein S 8 FT #SUB 147 147 ARG L 109 109 TYR K Protein S 1 FT #SUB 148 148 SER L 60 60 TYR K Protein S 1 FT #SUB 149 149 PRO L 104 104 LEU K Protein S 2 FT #SUB 150 150 ASN L 55 55 ASP K Protein A 8 FT #SUB 150 150 ASN L 56 56 VAL K Protein S 4 FT #SUB 150 150 ASN L 58 58 ILE K Protein S 5 FT #SUB 150 150 ASN L 60 60 TYR K Protein A 5 FT #SUB 151 151 TYR L 60 60 TYR K Protein A 3 FT #SUB 152 152 ARG L 48 48 HIS K Protein S 1 FT #SUB 152 152 ARG L 50 50 VAL K Protein S 2 FT #SUB 152 152 ARG L 51 51 GLY K Protein B 1 FT #SUB 152 152 ARG L 103 103 TYR K Protein S 4 FT #SUB 153 153 ARG L 50 50 VAL K Protein A 5 FT #SUB 153 153 ARG L 51 51 GLY K Protein B 1 FT #SUB 153 153 ARG L 52 52 GLY K Protein B 4 FT #SUB 153 153 ARG L 53 53 GLU K Protein A 12 FT #SUB 153 153 ARG L 55 55 ASP K Protein S 4 FT #SUB 153 153 ARG L 104 104 LEU K Protein S 1 FT #SUB 154 154 ARG L 55 55 ASP K Protein S 3 FT #SUB 154 154 ARG L 56 56 VAL K Protein S 5 FT #SUB 154 154 ARG L 57 57 PRO K Protein S 5 FT #SUB 154 154 ARG L 60 60 TYR K Protein S 2 FT #SUB 156 156 VAL L 52 52 GLY K Protein S 1 FT #SUB 157 157 ARG L 52 52 GLY K Protein S 4 FT #SUB 158 158 TRP L 53 53 GLU K Protein S 1 FT #SUB 158 158 TRP L 54 54 ALA K Protein S 1 FT #SUB 165 165 GLU L 57 57 PRO K Protein S 2 FT #SUB 166 166 PHE L 60 60 TYR K Protein S 4 FT #SUB 186 186 ARG L 91 91 ARG K Protein S 1 FT #SUB 211 211 ARG L 62 62 GLU K Protein S 8 FT #SUB 230 230 ARG L 60 60 TYR K Protein S 2 FT #SUB 230 230 ARG L 62 62 GLU K Protein S 3 FT #SUB 231 231 PRO L 59 59 GLU K Protein S 2 FT #SUB 231 231 PRO L 60 60 TYR K Protein S 1 FT #SUB 231 231 PRO L 61 61 HIS K Protein B 4 FT #SUB 231 231 PRO L 62 62 GLU K Protein B 3 FT #SUB 232 232 VAL L 62 62 GLU K Protein B 2 FT #SUB 233 233 LEU L 61 61 HIS K Protein S 1 FT #SUB 233 233 LEU L 62 62 GLU K Protein A 4 FT #SUB 233 233 LEU L 63 63 LYS K Protein A 7 FT #SUB 233 233 LEU L 64 64 GLU K Protein B 3 FT #SUB 234 234 LYS L 64 64 GLU K Protein A 8 FT #SUB 235 235 ALA L 64 64 GLU K Protein A 9 FT #SUB 235 235 ALA L 65 65 GLU K Protein S 1 FT #SUB 235 235 ALA L 66 66 GLU K Protein A 7 FT #SUB 236 236 ASN L 66 66 GLU K Protein A 9 FT #SUB 237 237 ARG L 66 66 GLU K Protein A 8 FT #SUB 237 237 ARG L 67 67 ILE K Protein B 5 FT #SUB 237 237 ARG L 151 151 TYR K Protein S 6 FT #SUB 238 238 PRO L 64 64 GLU K Protein S 4 FT #SUB 238 238 PRO L 65 65 GLU K Protein A 3 FT #SUB 238 238 PRO L 67 67 ILE K Protein B 3 FT #SUB 239 239 VAL L 65 65 GLU K Protein A 5 FT #SUB 239 239 VAL L 66 66 GLU K Protein S 2 FT #SUB 239 239 VAL L 67 67 ILE K Protein A 4 FT #SUB 239 239 VAL L 70 70 LEU K Protein S 1 FT #HET 108 108 SER L 15 6401 TLA L A 4 FT #HET 131 131 CYS L 15 6401 TLA L S 4 FT #HET 132 132 SER L 15 6401 TLA L A 11 FT #HET 133 133 CYS L 15 6401 TLA L A 4 FT #HET 136 136 ARG L 15 6401 TLA L S 7 FT #HET 157 157 ARG L 8 3004 FRU H S 12 FT #HET 177 177 ARG L 16 6501 TLA L S 8 FT #HET 186 186 ARG L 15 6401 TLA L S 1 FT DISORDER 1 23 FT DISORDER 240 243 CC SEQUENCE 216 AA (ATOM); CC VSDFEILEMA VRELAIEKGL FSAEDHRVWK DYVHTLGPLP AARLVAKAWL DPEYKKLCIE CC DGVEASKAVG VNWVTSPPTQ FGTPSDYCNL RVLADSPTLK HVVVCTLCSC YPRPILGQSP CC EWYRSPNYRR RLVRWPRQVL AEFGLQLPSE VQIRVADSNQ KTRYIVMPVR PEGTDGWTED CC QLAEIVTRDC LIGVAVPKPG ITVNAKRPVL KANRPV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSADHDHDHDHDHDHKPAPMVEEVSDFEILEMAVRELAIEKGLFSAEDHR CC ATOM -----------------------VSDFEILEMAVRELAIEKGLFSAEDHR CC *************************** CC SEQRES VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ATOM VWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSP CC ************************************************** CC SEQRES PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ATOM PTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPN CC ************************************************** CC SEQRES YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ATOM YRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGW CC ************************************************** CC SEQRES TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPVHHDH CC ATOM TEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPV---- CC *************************************** SQ SEQUENCE 243 AA; MW; CN; MSADHDHDHD HDHDHKPAPM VEEVSDFEIL EMAVRELAIE KGLFSAEDHR VWKDYVHTLG PLPAARLVAK AWLDPEYKKL CIEDGVEASK AVGVNWVTSP PTQFGTPSDY CNLRVLADSP TLKHVVVCTL CSCYPRPILG QSPEWYRSPN YRRRLVRWPR QVLAEFGLQL PSEVQIRVAD SNQKTRYIVM PVRPEGTDGW TEDQLAEIVT RDCLIGVAVP KPGITVNAKR PVLKANRPVH HDH //