ID 6JPWA STANDARD; PRT; 53 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE Serine protease subunit NS2B OS Zika virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 7 50 ASP A 27 26 MET B Protein B 1 FT #SUB 7 50 ASP A 28 27 THR B Protein B 3 FT #SUB 7 50 ASP A 29 28 ARG B Protein A 6 FT #SUB 7 50 ASP A 60 59 ARG B Protein S 3 FT #SUB 8 51 MET A 27 26 MET B Protein A 4 FT #SUB 8 51 MET A 54 53 THR B Protein S 4 FT #SUB 8 51 MET A 57 56 ALA B Protein S 1 FT #SUB 8 51 MET A 59 58 LEU B Protein A 4 FT #SUB 8 51 MET A 60 59 ARG B Protein B 4 FT #SUB 9 52 TYR A 25 24 ARG B Protein B 1 FT #SUB 9 52 TYR A 26 25 VAL B Protein B 2 FT #SUB 9 52 TYR A 27 26 MET B Protein A 15 FT #SUB 9 52 TYR A 34 33 SER B Protein S 4 FT #SUB 9 52 TYR A 60 59 ARG B Protein A 9 FT #SUB 10 53 ILE A 24 23 TYR B Protein S 3 FT #SUB 10 53 ILE A 25 24 ARG B Protein A 4 FT #SUB 10 53 ILE A 42 41 MET B Protein S 1 FT #SUB 10 53 ILE A 47 46 PHE B Protein S 1 FT #SUB 10 53 ILE A 59 58 LEU B Protein S 1 FT #SUB 10 53 ILE A 60 59 ARG B Protein A 2 FT #SUB 10 53 ILE A 61 60 SER B Protein S 3 FT #SUB 10 53 ILE A 66 65 LEU B Protein S 1 FT #SUB 11 54 GLU A 24 23 TYR B Protein B 7 FT #SUB 11 54 GLU A 25 24 ARG B Protein B 7 FT #SUB 12 55 ARG A 20 19 THR B Protein S 2 FT #SUB 12 55 ARG A 21 20 ASP B Protein S 4 FT #SUB 12 55 ARG A 22 21 GLY B Protein S 1 FT #SUB 12 55 ARG A 23 22 VAL B Protein A 3 FT #SUB 12 55 ARG A 24 23 TYR B Protein A 11 FT #SUB 13 56 ALA A 23 22 VAL B Protein A 6 FT #SUB 13 56 ALA A 101 100 VAL B Protein S 1 FT #SUB 13 56 ALA A 107 106 ALA B Protein B 1 FT #SUB 14 57 GLY A 22 21 GLY B Protein B 2 FT #SUB 14 57 GLY A 23 22 VAL B Protein B 8 FT #SUB 15 58 ASP A 99 98 LEU B Protein B 1 FT #SUB 16 59 ILE A 22 21 GLY B Protein S 1 FT #SUB 16 59 ILE A 41 40 VAL B Protein S 2 FT #SUB 16 59 ILE A 99 98 LEU B Protein B 1 FT #SUB 16 59 ILE A 141 140 LEU B Protein S 1 FT #SUB 16 59 ILE A 145 144 GLY B Protein S 1 FT #SUB 16 59 ILE A 147 146 VAL B Protein S 2 FT #SUB 17 60 THR A 109 108 ASN B Protein B 2 FT #SUB 17 60 THR A 141 140 LEU B Protein B 3 FT #SUB 18 61 TRP A 95 94 GLU B Protein S 1 FT #SUB 18 61 TRP A 96 95 VAL B Protein S 3 FT #SUB 18 61 TRP A 97 96 GLN B Protein A 24 FT #SUB 18 61 TRP A 111 110 GLN B Protein S 2 FT #SUB 18 61 TRP A 141 140 LEU B Protein S 1 FT #SUB 18 61 TRP A 142 141 ASP B Protein S 4 FT #SUB 18 61 TRP A 143 142 LYS B Protein S 8 FT #SUB 19 62 GLU A 97 96 GLN B Protein B 8 FT #SUB 19 62 GLU A 109 108 ASN B Protein A 5 FT #SUB 22 65 ALA A 97 96 GLN B Protein S 2 FT #SUB 22 65 ALA A 109 108 ASN B Protein A 4 FT #SUB 23 66 GLU A 109 108 ASN B Protein B 1 FT #SUB 23 66 GLU A 110 109 ILE B Protein B 2 FT #SUB 23 66 GLU A 111 110 GLN B Protein B 4 FT #SUB 24 67 VAL A 95 94 GLU B Protein S 1 FT #SUB 24 67 VAL A 111 110 GLN B Protein A 4 FT #SUB 25 68 THR A 110 109 ILE B Protein S 1 FT #SUB 25 68 THR A 111 110 GLN B Protein B 2 FT #SUB 25 68 THR A 112 111 THR B Protein B 4 FT #SUB 25 68 THR A 129 128 LEU B Protein A 2 FT #SUB 26 69 GLY A 112 111 THR B Protein B 2 FT #SUB 26 69 GLY A 128 127 ALA B Protein B 1 FT #SUB 27 70 ASN A 113 112 LEU B Protein B 1 FT #SUB 27 70 ASN A 128 127 ALA B Protein B 1 FT #SUB 28 71 SER A 113 112 LEU B Protein A 8 FT #SUB 28 71 SER A 114 113 PRO B Protein S 2 FT #SUB 28 71 SER A 115 114 GLY B Protein B 4 FT #SUB 29 72 PRO A 115 114 GLY B Protein B 3 FT #SUB 29 72 PRO A 116 115 ILE B Protein B 2 FT #SUB 29 72 PRO A 128 127 ALA B Protein S 1 FT #SUB 30 73 ARG A 116 115 ILE B Protein B 2 FT #SUB 31 74 LEU A 116 115 ILE B Protein B 3 FT #SUB 31 74 LEU A 117 116 PHE B Protein A 3 FT #SUB 31 74 LEU A 118 117 LYS B Protein B 6 FT #SUB 31 74 LEU A 157 156 ILE B Protein S 2 FT #SUB 32 75 ASP A 118 117 LYS B Protein A 4 FT #SUB 33 76 VAL A 117 116 PHE B Protein S 2 FT #SUB 33 76 VAL A 118 117 LYS B Protein B 3 FT #SUB 33 76 VAL A 119 118 THR B Protein A 4 FT #SUB 35 78 LEU A 74 73 LYS B Protein S 1 FT #SUB 36 79 ASP A 74 73 LYS B Protein B 2 FT #SUB 37 80 GLU A 73 72 VAL B Protein B 1 FT #SUB 37 80 GLU A 74 73 LYS B Protein B 2 FT #SUB 38 81 SER A 73 72 VAL B Protein B 4 FT #SUB 39 82 GLY A 73 72 VAL B Protein B 1 FT #SUB 39 82 GLY A 74 73 LYS B Protein B 4 FT #SUB 39 82 GLY A 153 152 ASN B Protein B 3 FT #SUB 41 84 PHE A 117 116 PHE B Protein S 1 FT #SUB 41 84 PHE A 153 152 ASN B Protein S 5 FT #SUB 41 84 PHE A 154 153 GLY B Protein S 2 FT #SUB 41 84 PHE A 155 154 VAL B Protein A 3 FT #SUB 41 84 PHE A 165 164 ALA B Protein S 2 FT #SUB 43 86 LEU A 156 155 VAL B Protein S 1 FT #SUB 25 68 THR A 158 157 LYS D Protein S 5 FT #SUB 26 69 GLY A 158 157 LYS D Protein B 3 FT DISORDER 1 6 FT DISORDER 45 53 CC SEQUENCE 38 AA (ATOM); CC DMYIERAGDI TWEKDAEVTG NSPRLDVALD ESGDFSLV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPP CC ATOM ------DMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV------ CC ************************************** CC SEQRES MRE CC ATOM --- CC SQ SEQUENCE 53 AA; MW; CN; MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE // ID 6JPWB STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE NS3 protease OS Zika virus (strain Mr 766) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 20 19 THR B 12 55 ARG A Protein S 2 FT #SUB 21 20 ASP B 12 55 ARG A Protein B 4 FT #SUB 22 21 GLY B 12 55 ARG A Protein B 1 FT #SUB 22 21 GLY B 14 57 GLY A Protein B 2 FT #SUB 22 21 GLY B 16 59 ILE A Protein B 1 FT #SUB 23 22 VAL B 12 55 ARG A Protein B 3 FT #SUB 23 22 VAL B 13 56 ALA A Protein A 6 FT #SUB 23 22 VAL B 14 57 GLY A Protein A 8 FT #SUB 24 23 TYR B 10 53 ILE A Protein S 3 FT #SUB 24 23 TYR B 11 54 GLU A Protein A 7 FT #SUB 24 23 TYR B 12 55 ARG A Protein S 11 FT #SUB 25 24 ARG B 9 52 TYR A Protein B 1 FT #SUB 25 24 ARG B 10 53 ILE A Protein B 4 FT #SUB 25 24 ARG B 11 54 GLU A Protein A 7 FT #SUB 26 25 VAL B 9 52 TYR A Protein B 2 FT #SUB 27 26 MET B 7 50 ASP A Protein B 1 FT #SUB 27 26 MET B 8 51 MET A Protein B 4 FT #SUB 27 26 MET B 9 52 TYR A Protein A 15 FT #SUB 28 27 THR B 7 50 ASP A Protein A 3 FT #SUB 29 28 ARG B 7 50 ASP A Protein A 6 FT #SUB 34 33 SER B 9 52 TYR A Protein S 4 FT #SUB 41 40 VAL B 16 59 ILE A Protein S 2 FT #SUB 42 41 MET B 10 53 ILE A Protein S 1 FT #SUB 47 46 PHE B 10 53 ILE A Protein S 1 FT #SUB 54 53 THR B 8 51 MET A Protein A 4 FT #SUB 57 56 ALA B 8 51 MET A Protein S 1 FT #SUB 59 58 LEU B 8 51 MET A Protein A 4 FT #SUB 59 58 LEU B 10 53 ILE A Protein S 1 FT #SUB 60 59 ARG B 7 50 ASP A Protein S 3 FT #SUB 60 59 ARG B 8 51 MET A Protein A 4 FT #SUB 60 59 ARG B 9 52 TYR A Protein A 9 FT #SUB 60 59 ARG B 10 53 ILE A Protein B 2 FT #SUB 61 60 SER B 10 53 ILE A Protein S 3 FT #SUB 66 65 LEU B 10 53 ILE A Protein S 1 FT #SUB 73 72 VAL B 37 80 GLU A Protein S 1 FT #SUB 73 72 VAL B 38 81 SER A Protein A 4 FT #SUB 73 72 VAL B 39 82 GLY A Protein B 1 FT #SUB 74 73 LYS B 35 78 LEU A Protein S 1 FT #SUB 74 73 LYS B 36 79 ASP A Protein S 2 FT #SUB 74 73 LYS B 37 80 GLU A Protein A 2 FT #SUB 74 73 LYS B 39 82 GLY A Protein B 4 FT #SUB 95 94 GLU B 18 61 TRP A Protein B 1 FT #SUB 95 94 GLU B 24 67 VAL A Protein S 1 FT #SUB 96 95 VAL B 18 61 TRP A Protein B 3 FT #SUB 97 96 GLN B 18 61 TRP A Protein A 24 FT #SUB 97 96 GLN B 19 62 GLU A Protein S 8 FT #SUB 97 96 GLN B 22 65 ALA A Protein S 2 FT #SUB 99 98 LEU B 15 58 ASP A Protein S 1 FT #SUB 99 98 LEU B 16 59 ILE A Protein S 1 FT #SUB 101 100 VAL B 13 56 ALA A Protein S 1 FT #SUB 107 106 ALA B 13 56 ALA A Protein S 1 FT #SUB 109 108 ASN B 17 60 THR A Protein S 2 FT #SUB 109 108 ASN B 19 62 GLU A Protein S 5 FT #SUB 109 108 ASN B 22 65 ALA A Protein A 4 FT #SUB 109 108 ASN B 23 66 GLU A Protein B 1 FT #SUB 110 109 ILE B 23 66 GLU A Protein B 2 FT #SUB 110 109 ILE B 25 68 THR A Protein S 1 FT #SUB 111 110 GLN B 18 61 TRP A Protein S 2 FT #SUB 111 110 GLN B 23 66 GLU A Protein A 4 FT #SUB 111 110 GLN B 24 67 VAL A Protein B 4 FT #SUB 111 110 GLN B 25 68 THR A Protein B 2 FT #SUB 112 111 THR B 25 68 THR A Protein A 4 FT #SUB 112 111 THR B 26 69 GLY A Protein S 2 FT #SUB 113 112 LEU B 27 70 ASN A Protein B 1 FT #SUB 113 112 LEU B 28 71 SER A Protein A 8 FT #SUB 114 113 PRO B 28 71 SER A Protein B 2 FT #SUB 115 114 GLY B 28 71 SER A Protein B 4 FT #SUB 115 114 GLY B 29 72 PRO A Protein B 3 FT #SUB 116 115 ILE B 29 72 PRO A Protein B 2 FT #SUB 116 115 ILE B 30 73 ARG A Protein B 2 FT #SUB 116 115 ILE B 31 74 LEU A Protein B 3 FT #SUB 117 116 PHE B 31 74 LEU A Protein A 3 FT #SUB 117 116 PHE B 33 76 VAL A Protein S 2 FT #SUB 117 116 PHE B 41 84 PHE A Protein S 1 FT #SUB 118 117 LYS B 31 74 LEU A Protein A 6 FT #SUB 118 117 LYS B 32 75 ASP A Protein A 4 FT #SUB 118 117 LYS B 33 76 VAL A Protein B 3 FT #SUB 119 118 THR B 33 76 VAL A Protein A 4 FT #SUB 128 127 ALA B 26 69 GLY A Protein B 1 FT #SUB 128 127 ALA B 27 70 ASN A Protein S 1 FT #SUB 128 127 ALA B 29 72 PRO A Protein S 1 FT #SUB 129 128 LEU B 25 68 THR A Protein S 2 FT #SUB 141 140 LEU B 16 59 ILE A Protein S 1 FT #SUB 141 140 LEU B 17 60 THR A Protein S 3 FT #SUB 141 140 LEU B 18 61 TRP A Protein B 1 FT #SUB 142 141 ASP B 18 61 TRP A Protein B 4 FT #SUB 143 142 LYS B 18 61 TRP A Protein A 8 FT #SUB 145 144 GLY B 16 59 ILE A Protein B 1 FT #SUB 147 146 VAL B 16 59 ILE A Protein S 2 FT #SUB 153 152 ASN B 39 82 GLY A Protein S 3 FT #SUB 153 152 ASN B 41 84 PHE A Protein A 5 FT #SUB 154 153 GLY B 41 84 PHE A Protein B 2 FT #SUB 155 154 VAL B 41 84 PHE A Protein S 3 FT #SUB 156 155 VAL B 43 86 LEU A Protein B 1 FT #SUB 157 156 ILE B 31 74 LEU A Protein S 2 FT #SUB 165 164 ALA B 41 84 PHE A Protein S 2 FT #SUB 160 159 GLY B 27 70 ASN C Protein B 2 FT #SUB 32 31 LEU B 106 105 ARG D Protein B 1 FT #SUB 34 33 SER B 105 104 GLU D Protein B 1 FT #SUB 103 102 PRO B 132 131 PRO D Protein B 2 FT #SUB 105 104 GLU B 132 131 PRO D Protein S 2 FT #SUB 105 104 GLU B 133 132 ALA D Protein S 4 FT #SUB 128 127 ALA B 159 158 ASN D Protein B 2 FT #SUB 129 128 LEU B 159 158 ASN D Protein A 4 FT #SUB 130 129 ASP B 159 158 ASN D Protein A 7 FT #SUB 130 129 ASP B 161 160 SER D Protein B 3 FT #SUB 131 130 TYR B 160 159 GLY D Protein S 2 FT #SUB 132 131 PRO B 130 129 ASP D Protein S 3 FT #SUB 105 104 GLU B 6 6 LYS J Protein S 1 FT DISORDER 1 17 FT DISORDER 172 178 CC SEQUENCE 154 AA (ATOM); CC ETTDGVYRVM TRRLLGSTQV GVGVMQEGVF HTMWHVTKGA ALRSGEGRLD PYWGDVKQDL CC VSYCGPWKLD AAWDGLSEVQ LLAVPPGERA KNIQTLPGIF KTKDGDIGAV ALDYPAGTSG CC SPILDKCGRV IGLYGNGVVI KNGSYVSAIT QGKR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSGALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ATOM -----------------ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ********************************* CC SEQRES WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ATOM WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ************************************************** CC SEQRES VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ATOM VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ************************************************** CC SEQRES YGNGVVIKNGSYVSAITQGKREEETPVE CC ATOM YGNGVVIKNGSYVSAITQGKR------- CC ********************* SQ SEQUENCE 178 AA; MW; CN; GSGALWDVPA PKEVKKGETT DGVYRVMTRR LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVE // ID 6JPWC STANDARD; PRT; 53 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE Serine protease subunit NS2B OS Zika virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 27 70 ASN C 160 159 GLY B Protein S 2 FT #SUB 7 50 ASP C 28 27 THR D Protein B 3 FT #SUB 7 50 ASP C 29 28 ARG D Protein B 3 FT #SUB 8 51 MET C 27 26 MET D Protein A 4 FT #SUB 8 51 MET C 37 36 VAL D Protein S 1 FT #SUB 8 51 MET C 53 52 VAL D Protein S 1 FT #SUB 8 51 MET C 59 58 LEU D Protein A 3 FT #SUB 8 51 MET C 60 59 ARG D Protein B 4 FT #SUB 9 52 TYR C 25 24 ARG D Protein B 1 FT #SUB 9 52 TYR C 26 25 VAL D Protein B 2 FT #SUB 9 52 TYR C 27 26 MET D Protein A 17 FT #SUB 9 52 TYR C 28 27 THR D Protein S 1 FT #SUB 9 52 TYR C 60 59 ARG D Protein A 13 FT #SUB 10 53 ILE C 24 23 TYR D Protein S 1 FT #SUB 10 53 ILE C 25 24 ARG D Protein A 3 FT #SUB 10 53 ILE C 42 41 MET D Protein S 1 FT #SUB 10 53 ILE C 47 46 PHE D Protein S 2 FT #SUB 10 53 ILE C 60 59 ARG D Protein A 2 FT #SUB 10 53 ILE C 61 60 SER D Protein S 3 FT #SUB 10 53 ILE C 66 65 LEU D Protein S 1 FT #SUB 11 54 GLU C 24 23 TYR D Protein B 6 FT #SUB 11 54 GLU C 25 24 ARG D Protein B 6 FT #SUB 11 54 GLU C 27 26 MET D Protein S 5 FT #SUB 12 55 ARG C 20 19 THR D Protein S 3 FT #SUB 12 55 ARG C 21 20 ASP D Protein S 4 FT #SUB 12 55 ARG C 22 21 GLY D Protein S 2 FT #SUB 12 55 ARG C 23 22 VAL D Protein B 2 FT #SUB 12 55 ARG C 24 23 TYR D Protein A 9 FT #SUB 13 56 ALA C 23 22 VAL D Protein A 6 FT #SUB 13 56 ALA C 24 23 TYR D Protein B 1 FT #SUB 13 56 ALA C 25 24 ARG D Protein S 2 FT #SUB 13 56 ALA C 101 100 VAL D Protein S 1 FT #SUB 13 56 ALA C 107 106 ALA D Protein B 1 FT #SUB 14 57 GLY C 22 21 GLY D Protein B 2 FT #SUB 14 57 GLY C 23 22 VAL D Protein B 8 FT #SUB 15 58 ASP C 99 98 LEU D Protein B 1 FT #SUB 16 59 ILE C 22 21 GLY D Protein S 2 FT #SUB 16 59 ILE C 23 22 VAL D Protein S 1 FT #SUB 16 59 ILE C 41 40 VAL D Protein S 1 FT #SUB 16 59 ILE C 99 98 LEU D Protein B 1 FT #SUB 16 59 ILE C 141 140 LEU D Protein S 2 FT #SUB 16 59 ILE C 145 144 GLY D Protein S 1 FT #SUB 17 60 THR C 109 108 ASN D Protein B 2 FT #SUB 17 60 THR C 141 140 LEU D Protein B 2 FT #SUB 18 61 TRP C 95 94 GLU D Protein S 1 FT #SUB 18 61 TRP C 96 95 VAL D Protein S 4 FT #SUB 18 61 TRP C 97 96 GLN D Protein A 24 FT #SUB 18 61 TRP C 111 110 GLN D Protein S 4 FT #SUB 18 61 TRP C 141 140 LEU D Protein S 1 FT #SUB 18 61 TRP C 142 141 ASP D Protein S 4 FT #SUB 18 61 TRP C 143 142 LYS D Protein S 7 FT #SUB 19 62 GLU C 97 96 GLN D Protein A 9 FT #SUB 19 62 GLU C 109 108 ASN D Protein A 4 FT #SUB 22 65 ALA C 97 96 GLN D Protein S 1 FT #SUB 22 65 ALA C 109 108 ASN D Protein S 1 FT #SUB 23 66 GLU C 109 108 ASN D Protein S 2 FT #SUB 23 66 GLU C 110 109 ILE D Protein B 2 FT #SUB 23 66 GLU C 111 110 GLN D Protein B 4 FT #SUB 24 67 VAL C 111 110 GLN D Protein A 6 FT #SUB 25 68 THR C 110 109 ILE D Protein S 1 FT #SUB 25 68 THR C 111 110 GLN D Protein B 2 FT #SUB 25 68 THR C 112 111 THR D Protein B 4 FT #SUB 25 68 THR C 129 128 LEU D Protein S 1 FT #SUB 26 69 GLY C 112 111 THR D Protein B 1 FT #SUB 26 69 GLY C 128 127 ALA D Protein B 1 FT #SUB 27 70 ASN C 113 112 LEU D Protein B 1 FT #SUB 27 70 ASN C 128 127 ALA D Protein A 2 FT #SUB 28 71 SER C 113 112 LEU D Protein A 7 FT #SUB 28 71 SER C 114 113 PRO D Protein S 1 FT #SUB 28 71 SER C 115 114 GLY D Protein A 6 FT #SUB 29 72 PRO C 115 114 GLY D Protein B 3 FT #SUB 29 72 PRO C 116 115 ILE D Protein B 4 FT #SUB 29 72 PRO C 128 127 ALA D Protein S 1 FT #SUB 30 73 ARG C 116 115 ILE D Protein B 2 FT #SUB 31 74 LEU C 116 115 ILE D Protein B 3 FT #SUB 31 74 LEU C 117 116 PHE D Protein B 2 FT #SUB 31 74 LEU C 118 117 LYS D Protein B 5 FT #SUB 31 74 LEU C 157 156 ILE D Protein S 1 FT #SUB 32 75 ASP C 118 117 LYS D Protein A 3 FT #SUB 33 76 VAL C 117 116 PHE D Protein S 2 FT #SUB 33 76 VAL C 118 117 LYS D Protein B 4 FT #SUB 33 76 VAL C 119 118 THR D Protein A 4 FT #SUB 35 78 LEU C 74 73 LYS D Protein S 2 FT #SUB 36 79 ASP C 74 73 LYS D Protein B 1 FT #SUB 37 80 GLU C 74 73 LYS D Protein B 1 FT #SUB 38 81 SER C 73 72 VAL D Protein B 4 FT #SUB 39 82 GLY C 73 72 VAL D Protein B 1 FT #SUB 39 82 GLY C 74 73 LYS D Protein B 4 FT #SUB 39 82 GLY C 153 152 ASN D Protein B 3 FT #SUB 41 84 PHE C 117 116 PHE D Protein S 1 FT #SUB 41 84 PHE C 153 152 ASN D Protein S 5 FT #SUB 41 84 PHE C 154 153 GLY D Protein S 1 FT #SUB 41 84 PHE C 155 154 VAL D Protein A 3 FT #SUB 41 84 PHE C 165 164 ALA D Protein S 2 FT #SUB 43 86 LEU C 156 155 VAL D Protein S 1 FT #SUB 37 80 GLU C 69 68 TYR F Protein A 7 FT #SUB 37 80 GLU C 83 82 PRO F Protein S 2 FT #SUB 38 81 SER C 5 5 ARG J Protein B 1 FT #SUB 39 82 GLY C 5 5 ARG J Protein B 4 FT #SUB 40 83 ASP C 5 5 ARG J Protein A 5 FT #SUB 41 84 PHE C 3 3 GLY J Protein B 2 FT #SUB 42 85 SER C 2 2 C0F J Protein A 5 FT #SUB 43 86 LEU C 2 2 C0F J Protein A 6 FT DISORDER 1 6 FT DISORDER 45 53 CC SEQUENCE 38 AA (ATOM); CC DMYIERAGDI TWEKDAEVTG NSPRLDVALD ESGDFSLV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPP CC ATOM ------DMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV------ CC ************************************** CC SEQRES MRE CC ATOM --- CC SQ SEQUENCE 53 AA; MW; CN; MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE // ID 6JPWD STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE NS3 protease OS Zika virus (strain Mr 766) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 158 157 LYS D 25 68 THR A Protein A 5 FT #SUB 158 157 LYS D 26 69 GLY A Protein A 3 FT #SUB 105 104 GLU D 34 33 SER B Protein S 1 FT #SUB 106 105 ARG D 32 31 LEU B Protein S 1 FT #SUB 130 129 ASP D 132 131 PRO B Protein A 3 FT #SUB 132 131 PRO D 103 102 PRO B Protein S 2 FT #SUB 132 131 PRO D 105 104 GLU B Protein B 2 FT #SUB 133 132 ALA D 105 104 GLU B Protein A 4 FT #SUB 159 158 ASN D 128 127 ALA B Protein A 2 FT #SUB 159 158 ASN D 129 128 LEU B Protein B 4 FT #SUB 159 158 ASN D 130 129 ASP B Protein A 7 FT #SUB 160 159 GLY D 131 130 TYR B Protein B 2 FT #SUB 161 160 SER D 130 129 ASP B Protein A 3 FT #SUB 20 19 THR D 12 55 ARG C Protein S 3 FT #SUB 21 20 ASP D 12 55 ARG C Protein B 4 FT #SUB 22 21 GLY D 12 55 ARG C Protein B 2 FT #SUB 22 21 GLY D 14 57 GLY C Protein B 2 FT #SUB 22 21 GLY D 16 59 ILE C Protein B 2 FT #SUB 23 22 VAL D 12 55 ARG C Protein B 2 FT #SUB 23 22 VAL D 13 56 ALA C Protein A 6 FT #SUB 23 22 VAL D 14 57 GLY C Protein A 8 FT #SUB 23 22 VAL D 16 59 ILE C Protein B 1 FT #SUB 24 23 TYR D 10 53 ILE C Protein S 1 FT #SUB 24 23 TYR D 11 54 GLU C Protein A 6 FT #SUB 24 23 TYR D 12 55 ARG C Protein S 9 FT #SUB 24 23 TYR D 13 56 ALA C Protein B 1 FT #SUB 25 24 ARG D 9 52 TYR C Protein B 1 FT #SUB 25 24 ARG D 10 53 ILE C Protein B 3 FT #SUB 25 24 ARG D 11 54 GLU C Protein A 6 FT #SUB 25 24 ARG D 13 56 ALA C Protein S 2 FT #SUB 26 25 VAL D 9 52 TYR C Protein B 2 FT #SUB 27 26 MET D 8 51 MET C Protein B 4 FT #SUB 27 26 MET D 9 52 TYR C Protein A 17 FT #SUB 27 26 MET D 11 54 GLU C Protein S 5 FT #SUB 28 27 THR D 7 50 ASP C Protein A 3 FT #SUB 28 27 THR D 9 52 TYR C Protein B 1 FT #SUB 29 28 ARG D 7 50 ASP C Protein A 3 FT #SUB 37 36 VAL D 8 51 MET C Protein S 1 FT #SUB 41 40 VAL D 16 59 ILE C Protein S 1 FT #SUB 42 41 MET D 10 53 ILE C Protein S 1 FT #SUB 47 46 PHE D 10 53 ILE C Protein S 2 FT #SUB 53 52 VAL D 8 51 MET C Protein B 1 FT #SUB 59 58 LEU D 8 51 MET C Protein A 3 FT #SUB 60 59 ARG D 8 51 MET C Protein A 4 FT #SUB 60 59 ARG D 9 52 TYR C Protein A 13 FT #SUB 60 59 ARG D 10 53 ILE C Protein B 2 FT #SUB 61 60 SER D 10 53 ILE C Protein S 3 FT #SUB 66 65 LEU D 10 53 ILE C Protein S 1 FT #SUB 73 72 VAL D 38 81 SER C Protein A 4 FT #SUB 73 72 VAL D 39 82 GLY C Protein B 1 FT #SUB 74 73 LYS D 35 78 LEU C Protein A 2 FT #SUB 74 73 LYS D 36 79 ASP C Protein S 1 FT #SUB 74 73 LYS D 37 80 GLU C Protein S 1 FT #SUB 74 73 LYS D 39 82 GLY C Protein B 4 FT #SUB 95 94 GLU D 18 61 TRP C Protein B 1 FT #SUB 96 95 VAL D 18 61 TRP C Protein B 4 FT #SUB 97 96 GLN D 18 61 TRP C Protein A 24 FT #SUB 97 96 GLN D 19 62 GLU C Protein S 9 FT #SUB 97 96 GLN D 22 65 ALA C Protein S 1 FT #SUB 99 98 LEU D 15 58 ASP C Protein S 1 FT #SUB 99 98 LEU D 16 59 ILE C Protein S 1 FT #SUB 101 100 VAL D 13 56 ALA C Protein S 1 FT #SUB 107 106 ALA D 13 56 ALA C Protein S 1 FT #SUB 109 108 ASN D 17 60 THR C Protein S 2 FT #SUB 109 108 ASN D 19 62 GLU C Protein S 4 FT #SUB 109 108 ASN D 22 65 ALA C Protein B 1 FT #SUB 109 108 ASN D 23 66 GLU C Protein B 2 FT #SUB 110 109 ILE D 23 66 GLU C Protein B 2 FT #SUB 110 109 ILE D 25 68 THR C Protein S 1 FT #SUB 111 110 GLN D 18 61 TRP C Protein S 4 FT #SUB 111 110 GLN D 23 66 GLU C Protein A 4 FT #SUB 111 110 GLN D 24 67 VAL C Protein A 6 FT #SUB 111 110 GLN D 25 68 THR C Protein B 2 FT #SUB 112 111 THR D 25 68 THR C Protein A 4 FT #SUB 112 111 THR D 26 69 GLY C Protein S 1 FT #SUB 113 112 LEU D 27 70 ASN C Protein B 1 FT #SUB 113 112 LEU D 28 71 SER C Protein A 7 FT #SUB 114 113 PRO D 28 71 SER C Protein B 1 FT #SUB 115 114 GLY D 28 71 SER C Protein B 6 FT #SUB 115 114 GLY D 29 72 PRO C Protein B 3 FT #SUB 116 115 ILE D 29 72 PRO C Protein B 4 FT #SUB 116 115 ILE D 30 73 ARG C Protein B 2 FT #SUB 116 115 ILE D 31 74 LEU C Protein B 3 FT #SUB 117 116 PHE D 31 74 LEU C Protein B 2 FT #SUB 117 116 PHE D 33 76 VAL C Protein S 2 FT #SUB 117 116 PHE D 41 84 PHE C Protein S 1 FT #SUB 118 117 LYS D 31 74 LEU C Protein A 5 FT #SUB 118 117 LYS D 32 75 ASP C Protein A 3 FT #SUB 118 117 LYS D 33 76 VAL C Protein B 4 FT #SUB 119 118 THR D 33 76 VAL C Protein A 4 FT #SUB 128 127 ALA D 26 69 GLY C Protein B 1 FT #SUB 128 127 ALA D 27 70 ASN C Protein S 2 FT #SUB 128 127 ALA D 29 72 PRO C Protein S 1 FT #SUB 129 128 LEU D 25 68 THR C Protein S 1 FT #SUB 141 140 LEU D 16 59 ILE C Protein S 2 FT #SUB 141 140 LEU D 17 60 THR C Protein S 2 FT #SUB 141 140 LEU D 18 61 TRP C Protein B 1 FT #SUB 142 141 ASP D 18 61 TRP C Protein B 4 FT #SUB 143 142 LYS D 18 61 TRP C Protein A 7 FT #SUB 145 144 GLY D 16 59 ILE C Protein B 1 FT #SUB 153 152 ASN D 39 82 GLY C Protein S 3 FT #SUB 153 152 ASN D 41 84 PHE C Protein A 5 FT #SUB 154 153 GLY D 41 84 PHE C Protein B 1 FT #SUB 155 154 VAL D 41 84 PHE C Protein S 3 FT #SUB 156 155 VAL D 43 86 LEU C Protein B 1 FT #SUB 157 156 ILE D 31 74 LEU C Protein S 1 FT #SUB 165 164 ALA D 41 84 PHE C Protein S 2 FT #SUB 69 68 TYR D 37 80 GLU E Protein S 7 FT #SUB 83 82 PRO D 37 80 GLU E Protein S 4 FT #SUB 51 50 TRP D 68 67 PRO F Protein S 2 FT #SUB 68 67 PRO D 51 50 TRP F Protein B 1 FT #SUB 68 67 PRO D 73 72 VAL F Protein B 1 FT #SUB 69 68 TYR D 72 71 ASP F Protein B 2 FT #SUB 69 68 TYR D 73 72 VAL F Protein A 9 FT #SUB 69 68 TYR D 74 73 LYS F Protein S 3 FT #SUB 70 69 TRP D 70 69 TRP F Protein S 1 FT #SUB 70 69 TRP D 71 70 GLY F Protein A 5 FT #SUB 71 70 GLY D 70 69 TRP F Protein B 5 FT #SUB 71 70 GLY D 71 70 GLY F Protein B 3 FT #SUB 72 71 ASP D 69 68 TYR F Protein B 2 FT #SUB 72 71 ASP D 70 69 TRP F Protein S 1 FT #SUB 73 72 VAL D 68 67 PRO F Protein S 1 FT #SUB 73 72 VAL D 69 68 TYR F Protein A 9 FT #SUB 74 73 LYS D 69 68 TYR F Protein S 1 FT #SUB 52 51 HIS D 5 5 ARG J Protein S 7 FT #SUB 52 51 HIS D 6 6 LYS J Protein S 2 FT #SUB 76 75 ASP D 5 5 ARG J Protein S 4 FT #SUB 130 129 ASP D 6 6 LYS J Protein S 3 FT #SUB 131 130 TYR D 6 6 LYS J Protein B 5 FT #SUB 133 132 ALA D 6 6 LYS J Protein B 2 FT #SUB 134 133 GLY D 6 6 LYS J Protein B 4 FT #SUB 135 134 THR D 6 6 LYS J Protein B 1 FT #SUB 136 135 SER D 6 6 LYS J Protein A 12 FT #SUB 151 150 TYR D 6 6 LYS J Protein S 2 FT #SUB 152 151 GLY D 4 4 LYS J Protein B 1 FT #SUB 152 151 GLY D 5 5 ARG J Protein B 4 FT #SUB 152 151 GLY D 6 6 LYS J Protein B 1 FT #SUB 153 152 ASN D 5 5 ARG J Protein S 6 FT #SUB 154 153 GLY D 3 3 GLY J Protein B 2 FT #SUB 154 153 GLY D 4 4 LYS J Protein B 8 FT #SUB 155 154 VAL D 2 2 C0F J Protein A 3 FT #SUB 156 155 VAL D 2 2 C0F J Protein B 4 FT #SUB 156 155 VAL D 4 4 LYS J Protein S 4 FT #SUB 162 161 TYR D 4 4 LYS J Protein S 7 FT #SUB 162 161 TYR D 6 6 LYS J Protein S 6 FT DISORDER 1 12 FT DISORDER 172 178 CC SEQUENCE 159 AA (ATOM); CC EVKKGETTDG VYRVMTRRLL GSTQVGVGVM QEGVFHTMWH VTKGAALRSG EGRLDPYWGD CC VKQDLVSYCG PWKLDAAWDG LSEVQLLAVP PGERAKNIQT LPGIFKTKDG DIGAVALDYP CC AGTSGSPILD KCGRVIGLYG NGVVIKNGSY VSAITQGKR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSGALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ATOM ------------EVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ************************************** CC SEQRES WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ATOM WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ************************************************** CC SEQRES VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ATOM VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ************************************************** CC SEQRES YGNGVVIKNGSYVSAITQGKREEETPVE CC ATOM YGNGVVIKNGSYVSAITQGKR------- CC ********************* SQ SEQUENCE 178 AA; MW; CN; GSGALWDVPA PKEVKKGETT DGVYRVMTRR LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVE // ID 6JPWE STANDARD; PRT; 53 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE Serine protease subunit NS2B OS Zika virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 37 80 GLU E 69 68 TYR D Protein A 7 FT #SUB 37 80 GLU E 83 82 PRO D Protein S 4 FT #SUB 7 50 ASP E 27 26 MET F Protein B 1 FT #SUB 7 50 ASP E 28 27 THR F Protein B 2 FT #SUB 7 50 ASP E 29 28 ARG F Protein B 4 FT #SUB 7 50 ASP E 60 59 ARG F Protein S 5 FT #SUB 8 51 MET E 27 26 MET F Protein A 4 FT #SUB 8 51 MET E 28 27 THR F Protein S 1 FT #SUB 8 51 MET E 54 53 THR F Protein S 3 FT #SUB 8 51 MET E 57 56 ALA F Protein S 1 FT #SUB 8 51 MET E 59 58 LEU F Protein A 4 FT #SUB 8 51 MET E 60 59 ARG F Protein B 4 FT #SUB 9 52 TYR E 25 24 ARG F Protein B 1 FT #SUB 9 52 TYR E 26 25 VAL F Protein B 2 FT #SUB 9 52 TYR E 27 26 MET F Protein A 13 FT #SUB 9 52 TYR E 34 33 SER F Protein S 4 FT #SUB 9 52 TYR E 60 59 ARG F Protein A 13 FT #SUB 10 53 ILE E 24 23 TYR F Protein S 2 FT #SUB 10 53 ILE E 25 24 ARG F Protein A 4 FT #SUB 10 53 ILE E 42 41 MET F Protein S 1 FT #SUB 10 53 ILE E 47 46 PHE F Protein S 2 FT #SUB 10 53 ILE E 60 59 ARG F Protein A 2 FT #SUB 10 53 ILE E 61 60 SER F Protein S 4 FT #SUB 10 53 ILE E 66 65 LEU F Protein S 1 FT #SUB 11 54 GLU E 24 23 TYR F Protein B 6 FT #SUB 11 54 GLU E 25 24 ARG F Protein B 6 FT #SUB 11 54 GLU E 27 26 MET F Protein S 1 FT #SUB 12 55 ARG E 20 19 THR F Protein S 1 FT #SUB 12 55 ARG E 21 20 ASP F Protein S 4 FT #SUB 12 55 ARG E 22 21 GLY F Protein S 1 FT #SUB 12 55 ARG E 23 22 VAL F Protein B 2 FT #SUB 12 55 ARG E 24 23 TYR F Protein A 9 FT #SUB 13 56 ALA E 23 22 VAL F Protein A 6 FT #SUB 13 56 ALA E 101 100 VAL F Protein S 1 FT #SUB 13 56 ALA E 107 106 ALA F Protein B 1 FT #SUB 14 57 GLY E 22 21 GLY F Protein B 2 FT #SUB 14 57 GLY E 23 22 VAL F Protein B 8 FT #SUB 15 58 ASP E 99 98 LEU F Protein B 1 FT #SUB 16 59 ILE E 22 21 GLY F Protein S 2 FT #SUB 16 59 ILE E 41 40 VAL F Protein S 1 FT #SUB 16 59 ILE E 99 98 LEU F Protein B 1 FT #SUB 16 59 ILE E 141 140 LEU F Protein S 3 FT #SUB 16 59 ILE E 145 144 GLY F Protein S 1 FT #SUB 16 59 ILE E 147 146 VAL F Protein S 1 FT #SUB 17 60 THR E 109 108 ASN F Protein B 2 FT #SUB 17 60 THR E 141 140 LEU F Protein B 3 FT #SUB 18 61 TRP E 95 94 GLU F Protein S 1 FT #SUB 18 61 TRP E 96 95 VAL F Protein S 4 FT #SUB 18 61 TRP E 97 96 GLN F Protein A 23 FT #SUB 18 61 TRP E 111 110 GLN F Protein S 4 FT #SUB 18 61 TRP E 141 140 LEU F Protein S 1 FT #SUB 18 61 TRP E 142 141 ASP F Protein S 4 FT #SUB 18 61 TRP E 143 142 LYS F Protein S 5 FT #SUB 19 62 GLU E 97 96 GLN F Protein B 8 FT #SUB 19 62 GLU E 109 108 ASN F Protein A 4 FT #SUB 22 65 ALA E 97 96 GLN F Protein S 1 FT #SUB 22 65 ALA E 109 108 ASN F Protein S 1 FT #SUB 23 66 GLU E 110 109 ILE F Protein B 2 FT #SUB 23 66 GLU E 111 110 GLN F Protein B 5 FT #SUB 24 67 VAL E 111 110 GLN F Protein A 5 FT #SUB 25 68 THR E 110 109 ILE F Protein S 1 FT #SUB 25 68 THR E 111 110 GLN F Protein B 3 FT #SUB 25 68 THR E 112 111 THR F Protein B 4 FT #SUB 25 68 THR E 129 128 LEU F Protein A 2 FT #SUB 26 69 GLY E 112 111 THR F Protein B 1 FT #SUB 26 69 GLY E 128 127 ALA F Protein B 1 FT #SUB 27 70 ASN E 113 112 LEU F Protein B 1 FT #SUB 27 70 ASN E 128 127 ALA F Protein B 1 FT #SUB 28 71 SER E 113 112 LEU F Protein A 7 FT #SUB 28 71 SER E 114 113 PRO F Protein S 1 FT #SUB 28 71 SER E 115 114 GLY F Protein B 4 FT #SUB 29 72 PRO E 115 114 GLY F Protein B 3 FT #SUB 29 72 PRO E 116 115 ILE F Protein B 2 FT #SUB 29 72 PRO E 128 127 ALA F Protein S 1 FT #SUB 30 73 ARG E 116 115 ILE F Protein B 2 FT #SUB 30 73 ARG E 118 117 LYS F Protein A 10 FT #SUB 31 74 LEU E 116 115 ILE F Protein B 3 FT #SUB 31 74 LEU E 117 116 PHE F Protein A 3 FT #SUB 31 74 LEU E 118 117 LYS F Protein B 9 FT #SUB 31 74 LEU E 157 156 ILE F Protein S 1 FT #SUB 32 75 ASP E 118 117 LYS F Protein A 8 FT #SUB 33 76 VAL E 117 116 PHE F Protein S 5 FT #SUB 33 76 VAL E 118 117 LYS F Protein B 3 FT #SUB 33 76 VAL E 119 118 THR F Protein A 4 FT #SUB 35 78 LEU E 74 73 LYS F Protein S 2 FT #SUB 36 79 ASP E 74 73 LYS F Protein B 1 FT #SUB 37 80 GLU E 73 72 VAL F Protein B 1 FT #SUB 37 80 GLU E 74 73 LYS F Protein B 2 FT #SUB 38 81 SER E 73 72 VAL F Protein B 5 FT #SUB 39 82 GLY E 73 72 VAL F Protein B 2 FT #SUB 39 82 GLY E 74 73 LYS F Protein B 4 FT #SUB 39 82 GLY E 153 152 ASN F Protein B 3 FT #SUB 41 84 PHE E 117 116 PHE F Protein S 1 FT #SUB 41 84 PHE E 153 152 ASN F Protein S 4 FT #SUB 41 84 PHE E 154 153 GLY F Protein S 1 FT #SUB 41 84 PHE E 155 154 VAL F Protein A 3 FT #SUB 41 84 PHE E 165 164 ALA F Protein S 2 FT #SUB 43 86 LEU E 156 155 VAL F Protein S 1 FT #SUB 38 81 SER E 5 5 ARG K Protein B 1 FT #SUB 39 82 GLY E 5 5 ARG K Protein B 3 FT #SUB 40 83 ASP E 5 5 ARG K Protein A 5 FT #SUB 41 84 PHE E 3 3 GLY K Protein B 2 FT #SUB 42 85 SER E 2 2 C0F K Protein S 4 FT #SUB 43 86 LEU E 2 2 C0F K Protein A 7 FT DISORDER 1 6 FT DISORDER 45 53 CC SEQUENCE 38 AA (ATOM); CC DMYIERAGDI TWEKDAEVTG NSPRLDVALD ESGDFSLV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPP CC ATOM ------DMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV------ CC ************************************** CC SEQRES MRE CC ATOM --- CC SQ SEQUENCE 53 AA; MW; CN; MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE // ID 6JPWF STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE NS3 protease OS Zika virus (strain Mr 766) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 69 68 TYR F 37 80 GLU C Protein S 7 FT #SUB 83 82 PRO F 37 80 GLU C Protein S 2 FT #SUB 51 50 TRP F 68 67 PRO D Protein S 1 FT #SUB 68 67 PRO F 51 50 TRP D Protein A 2 FT #SUB 68 67 PRO F 73 72 VAL D Protein B 1 FT #SUB 69 68 TYR F 72 71 ASP D Protein B 2 FT #SUB 69 68 TYR F 73 72 VAL D Protein A 9 FT #SUB 69 68 TYR F 74 73 LYS D Protein S 1 FT #SUB 70 69 TRP F 70 69 TRP D Protein S 1 FT #SUB 70 69 TRP F 71 70 GLY D Protein A 5 FT #SUB 70 69 TRP F 72 71 ASP D Protein S 1 FT #SUB 71 70 GLY F 70 69 TRP D Protein B 5 FT #SUB 71 70 GLY F 71 70 GLY D Protein B 3 FT #SUB 72 71 ASP F 69 68 TYR D Protein B 2 FT #SUB 73 72 VAL F 68 67 PRO D Protein S 1 FT #SUB 73 72 VAL F 69 68 TYR D Protein A 9 FT #SUB 74 73 LYS F 69 68 TYR D Protein A 3 FT #SUB 20 19 THR F 12 55 ARG E Protein S 1 FT #SUB 21 20 ASP F 12 55 ARG E Protein B 4 FT #SUB 22 21 GLY F 12 55 ARG E Protein B 1 FT #SUB 22 21 GLY F 14 57 GLY E Protein B 2 FT #SUB 22 21 GLY F 16 59 ILE E Protein B 2 FT #SUB 23 22 VAL F 12 55 ARG E Protein B 2 FT #SUB 23 22 VAL F 13 56 ALA E Protein A 6 FT #SUB 23 22 VAL F 14 57 GLY E Protein A 8 FT #SUB 24 23 TYR F 10 53 ILE E Protein S 2 FT #SUB 24 23 TYR F 11 54 GLU E Protein A 6 FT #SUB 24 23 TYR F 12 55 ARG E Protein S 9 FT #SUB 25 24 ARG F 9 52 TYR E Protein B 1 FT #SUB 25 24 ARG F 10 53 ILE E Protein B 4 FT #SUB 25 24 ARG F 11 54 GLU E Protein A 6 FT #SUB 26 25 VAL F 9 52 TYR E Protein B 2 FT #SUB 27 26 MET F 7 50 ASP E Protein B 1 FT #SUB 27 26 MET F 8 51 MET E Protein B 4 FT #SUB 27 26 MET F 9 52 TYR E Protein A 13 FT #SUB 27 26 MET F 11 54 GLU E Protein S 1 FT #SUB 28 27 THR F 7 50 ASP E Protein B 2 FT #SUB 28 27 THR F 8 51 MET E Protein S 1 FT #SUB 29 28 ARG F 7 50 ASP E Protein A 4 FT #SUB 34 33 SER F 9 52 TYR E Protein S 4 FT #SUB 41 40 VAL F 16 59 ILE E Protein S 1 FT #SUB 42 41 MET F 10 53 ILE E Protein S 1 FT #SUB 47 46 PHE F 10 53 ILE E Protein S 2 FT #SUB 54 53 THR F 8 51 MET E Protein A 3 FT #SUB 57 56 ALA F 8 51 MET E Protein S 1 FT #SUB 59 58 LEU F 8 51 MET E Protein A 4 FT #SUB 60 59 ARG F 7 50 ASP E Protein S 5 FT #SUB 60 59 ARG F 8 51 MET E Protein A 4 FT #SUB 60 59 ARG F 9 52 TYR E Protein A 13 FT #SUB 60 59 ARG F 10 53 ILE E Protein B 2 FT #SUB 61 60 SER F 10 53 ILE E Protein S 4 FT #SUB 66 65 LEU F 10 53 ILE E Protein S 1 FT #SUB 73 72 VAL F 37 80 GLU E Protein S 1 FT #SUB 73 72 VAL F 38 81 SER E Protein A 5 FT #SUB 73 72 VAL F 39 82 GLY E Protein B 2 FT #SUB 74 73 LYS F 35 78 LEU E Protein A 2 FT #SUB 74 73 LYS F 36 79 ASP E Protein S 1 FT #SUB 74 73 LYS F 37 80 GLU E Protein A 2 FT #SUB 74 73 LYS F 39 82 GLY E Protein B 4 FT #SUB 95 94 GLU F 18 61 TRP E Protein B 1 FT #SUB 96 95 VAL F 18 61 TRP E Protein B 4 FT #SUB 97 96 GLN F 18 61 TRP E Protein A 23 FT #SUB 97 96 GLN F 19 62 GLU E Protein S 8 FT #SUB 97 96 GLN F 22 65 ALA E Protein S 1 FT #SUB 99 98 LEU F 15 58 ASP E Protein S 1 FT #SUB 99 98 LEU F 16 59 ILE E Protein S 1 FT #SUB 101 100 VAL F 13 56 ALA E Protein S 1 FT #SUB 107 106 ALA F 13 56 ALA E Protein S 1 FT #SUB 109 108 ASN F 17 60 THR E Protein S 2 FT #SUB 109 108 ASN F 19 62 GLU E Protein S 4 FT #SUB 109 108 ASN F 22 65 ALA E Protein B 1 FT #SUB 110 109 ILE F 23 66 GLU E Protein B 2 FT #SUB 110 109 ILE F 25 68 THR E Protein S 1 FT #SUB 111 110 GLN F 18 61 TRP E Protein S 4 FT #SUB 111 110 GLN F 23 66 GLU E Protein A 5 FT #SUB 111 110 GLN F 24 67 VAL E Protein A 5 FT #SUB 111 110 GLN F 25 68 THR E Protein B 3 FT #SUB 112 111 THR F 25 68 THR E Protein A 4 FT #SUB 112 111 THR F 26 69 GLY E Protein S 1 FT #SUB 113 112 LEU F 27 70 ASN E Protein B 1 FT #SUB 113 112 LEU F 28 71 SER E Protein A 7 FT #SUB 114 113 PRO F 28 71 SER E Protein B 1 FT #SUB 115 114 GLY F 28 71 SER E Protein B 4 FT #SUB 115 114 GLY F 29 72 PRO E Protein B 3 FT #SUB 116 115 ILE F 29 72 PRO E Protein B 2 FT #SUB 116 115 ILE F 30 73 ARG E Protein B 2 FT #SUB 116 115 ILE F 31 74 LEU E Protein B 3 FT #SUB 117 116 PHE F 31 74 LEU E Protein A 3 FT #SUB 117 116 PHE F 33 76 VAL E Protein S 5 FT #SUB 117 116 PHE F 41 84 PHE E Protein S 1 FT #SUB 118 117 LYS F 30 73 ARG E Protein S 10 FT #SUB 118 117 LYS F 31 74 LEU E Protein A 9 FT #SUB 118 117 LYS F 32 75 ASP E Protein A 8 FT #SUB 118 117 LYS F 33 76 VAL E Protein B 3 FT #SUB 119 118 THR F 33 76 VAL E Protein A 4 FT #SUB 128 127 ALA F 26 69 GLY E Protein B 1 FT #SUB 128 127 ALA F 27 70 ASN E Protein S 1 FT #SUB 128 127 ALA F 29 72 PRO E Protein S 1 FT #SUB 129 128 LEU F 25 68 THR E Protein S 2 FT #SUB 141 140 LEU F 16 59 ILE E Protein S 3 FT #SUB 141 140 LEU F 17 60 THR E Protein S 3 FT #SUB 141 140 LEU F 18 61 TRP E Protein B 1 FT #SUB 142 141 ASP F 18 61 TRP E Protein B 4 FT #SUB 143 142 LYS F 18 61 TRP E Protein B 5 FT #SUB 145 144 GLY F 16 59 ILE E Protein B 1 FT #SUB 147 146 VAL F 16 59 ILE E Protein S 1 FT #SUB 153 152 ASN F 39 82 GLY E Protein S 3 FT #SUB 153 152 ASN F 41 84 PHE E Protein A 4 FT #SUB 154 153 GLY F 41 84 PHE E Protein B 1 FT #SUB 155 154 VAL F 41 84 PHE E Protein S 3 FT #SUB 156 155 VAL F 43 86 LEU E Protein B 1 FT #SUB 157 156 ILE F 31 74 LEU E Protein S 1 FT #SUB 165 164 ALA F 41 84 PHE E Protein S 2 FT #SUB 52 51 HIS F 5 5 ARG K Protein S 6 FT #SUB 52 51 HIS F 6 6 LYS K Protein S 2 FT #SUB 76 75 ASP F 5 5 ARG K Protein S 4 FT #SUB 130 129 ASP F 6 6 LYS K Protein S 3 FT #SUB 131 130 TYR F 6 6 LYS K Protein B 4 FT #SUB 133 132 ALA F 6 6 LYS K Protein B 2 FT #SUB 134 133 GLY F 6 6 LYS K Protein B 4 FT #SUB 135 134 THR F 6 6 LYS K Protein B 1 FT #SUB 136 135 SER F 6 6 LYS K Protein A 11 FT #SUB 151 150 TYR F 6 6 LYS K Protein S 1 FT #SUB 152 151 GLY F 4 4 LYS K Protein B 1 FT #SUB 152 151 GLY F 5 5 ARG K Protein B 4 FT #SUB 152 151 GLY F 6 6 LYS K Protein B 1 FT #SUB 153 152 ASN F 5 5 ARG K Protein S 6 FT #SUB 154 153 GLY F 3 3 GLY K Protein B 2 FT #SUB 154 153 GLY F 4 4 LYS K Protein B 6 FT #SUB 155 154 VAL F 2 2 C0F K Protein A 3 FT #SUB 156 155 VAL F 2 2 C0F K Protein A 7 FT #SUB 156 155 VAL F 4 4 LYS K Protein S 1 FT #SUB 162 161 TYR F 4 4 LYS K Protein S 5 FT #SUB 162 161 TYR F 6 6 LYS K Protein S 5 FT DISORDER 1 17 FT DISORDER 172 178 CC SEQUENCE 154 AA (ATOM); CC ETTDGVYRVM TRRLLGSTQV GVGVMQEGVF HTMWHVTKGA ALRSGEGRLD PYWGDVKQDL CC VSYCGPWKLD AAWDGLSEVQ LLAVPPGERA KNIQTLPGIF KTKDGDIGAV ALDYPAGTSG CC SPILDKCGRV IGLYGNGVVI KNGSYVSAIT QGKR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSGALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ATOM -----------------ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ********************************* CC SEQRES WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ATOM WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ************************************************** CC SEQRES VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ATOM VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ************************************************** CC SEQRES YGNGVVIKNGSYVSAITQGKREEETPVE CC ATOM YGNGVVIKNGSYVSAITQGKR------- CC ********************* SQ SEQUENCE 178 AA; MW; CN; GSGALWDVPA PKEVKKGETT DGVYRVMTRR LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVE // ID 6JPWG STANDARD; PRT; 53 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE Serine protease subunit NS2B OS Zika virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 7 50 ASP G 28 27 THR H Protein B 3 FT #SUB 7 50 ASP G 29 28 ARG H Protein B 3 FT #SUB 7 50 ASP G 60 59 ARG H Protein S 3 FT #SUB 8 51 MET G 26 25 VAL H Protein S 1 FT #SUB 8 51 MET G 27 26 MET H Protein A 4 FT #SUB 8 51 MET G 28 27 THR H Protein S 2 FT #SUB 8 51 MET G 54 53 THR H Protein S 3 FT #SUB 8 51 MET G 59 58 LEU H Protein A 4 FT #SUB 8 51 MET G 60 59 ARG H Protein B 2 FT #SUB 9 52 TYR G 25 24 ARG H Protein B 1 FT #SUB 9 52 TYR G 26 25 VAL H Protein B 2 FT #SUB 9 52 TYR G 27 26 MET H Protein A 15 FT #SUB 9 52 TYR G 34 33 SER H Protein S 2 FT #SUB 9 52 TYR G 60 59 ARG H Protein A 7 FT #SUB 10 53 ILE G 24 23 TYR H Protein S 2 FT #SUB 10 53 ILE G 25 24 ARG H Protein A 4 FT #SUB 10 53 ILE G 42 41 MET H Protein S 1 FT #SUB 10 53 ILE G 60 59 ARG H Protein A 2 FT #SUB 10 53 ILE G 61 60 SER H Protein S 2 FT #SUB 10 53 ILE G 66 65 LEU H Protein S 1 FT #SUB 11 54 GLU G 24 23 TYR H Protein B 6 FT #SUB 11 54 GLU G 25 24 ARG H Protein B 6 FT #SUB 12 55 ARG G 20 19 THR H Protein S 2 FT #SUB 12 55 ARG G 21 20 ASP H Protein S 3 FT #SUB 12 55 ARG G 23 22 VAL H Protein A 3 FT #SUB 12 55 ARG G 24 23 TYR H Protein A 15 FT #SUB 13 56 ALA G 23 22 VAL H Protein A 7 FT #SUB 13 56 ALA G 101 100 VAL H Protein S 1 FT #SUB 13 56 ALA G 107 106 ALA H Protein B 1 FT #SUB 14 57 GLY G 22 21 GLY H Protein B 2 FT #SUB 14 57 GLY G 23 22 VAL H Protein B 8 FT #SUB 15 58 ASP G 99 98 LEU H Protein B 1 FT #SUB 16 59 ILE G 22 21 GLY H Protein S 2 FT #SUB 16 59 ILE G 23 22 VAL H Protein S 1 FT #SUB 16 59 ILE G 41 40 VAL H Protein S 1 FT #SUB 16 59 ILE G 99 98 LEU H Protein B 1 FT #SUB 16 59 ILE G 141 140 LEU H Protein S 1 FT #SUB 16 59 ILE G 145 144 GLY H Protein S 1 FT #SUB 16 59 ILE G 147 146 VAL H Protein S 1 FT #SUB 17 60 THR G 109 108 ASN H Protein B 3 FT #SUB 17 60 THR G 141 140 LEU H Protein B 2 FT #SUB 18 61 TRP G 95 94 GLU H Protein S 1 FT #SUB 18 61 TRP G 96 95 VAL H Protein S 4 FT #SUB 18 61 TRP G 97 96 GLN H Protein A 26 FT #SUB 18 61 TRP G 111 110 GLN H Protein S 6 FT #SUB 18 61 TRP G 141 140 LEU H Protein S 1 FT #SUB 18 61 TRP G 142 141 ASP H Protein S 4 FT #SUB 18 61 TRP G 143 142 LYS H Protein S 10 FT #SUB 19 62 GLU G 97 96 GLN H Protein A 9 FT #SUB 19 62 GLU G 109 108 ASN H Protein A 4 FT #SUB 22 65 ALA G 97 96 GLN H Protein S 2 FT #SUB 22 65 ALA G 111 110 GLN H Protein S 1 FT #SUB 23 66 GLU G 110 109 ILE H Protein A 6 FT #SUB 23 66 GLU G 111 110 GLN H Protein B 5 FT #SUB 24 67 VAL G 111 110 GLN H Protein A 4 FT #SUB 25 68 THR G 110 109 ILE H Protein S 2 FT #SUB 25 68 THR G 111 110 GLN H Protein B 2 FT #SUB 25 68 THR G 112 111 THR H Protein B 4 FT #SUB 25 68 THR G 129 128 LEU H Protein S 1 FT #SUB 26 69 GLY G 112 111 THR H Protein B 1 FT #SUB 26 69 GLY G 128 127 ALA H Protein B 1 FT #SUB 27 70 ASN G 113 112 LEU H Protein B 1 FT #SUB 27 70 ASN G 128 127 ALA H Protein A 2 FT #SUB 28 71 SER G 113 112 LEU H Protein A 7 FT #SUB 28 71 SER G 114 113 PRO H Protein S 2 FT #SUB 28 71 SER G 115 114 GLY H Protein B 4 FT #SUB 29 72 PRO G 115 114 GLY H Protein B 4 FT #SUB 29 72 PRO G 116 115 ILE H Protein B 4 FT #SUB 29 72 PRO G 128 127 ALA H Protein S 1 FT #SUB 29 72 PRO G 163 162 VAL H Protein S 1 FT #SUB 30 73 ARG G 116 115 ILE H Protein B 2 FT #SUB 31 74 LEU G 116 115 ILE H Protein B 3 FT #SUB 31 74 LEU G 117 116 PHE H Protein A 3 FT #SUB 31 74 LEU G 118 117 LYS H Protein B 4 FT #SUB 31 74 LEU G 157 156 ILE H Protein S 2 FT #SUB 32 75 ASP G 118 117 LYS H Protein A 3 FT #SUB 33 76 VAL G 117 116 PHE H Protein S 3 FT #SUB 33 76 VAL G 118 117 LYS H Protein B 3 FT #SUB 33 76 VAL G 119 118 THR H Protein A 4 FT #SUB 35 78 LEU G 74 73 LYS H Protein S 1 FT #SUB 36 79 ASP G 74 73 LYS H Protein B 1 FT #SUB 37 80 GLU G 74 73 LYS H Protein B 2 FT #SUB 38 81 SER G 73 72 VAL H Protein B 3 FT #SUB 39 82 GLY G 73 72 VAL H Protein B 1 FT #SUB 39 82 GLY G 74 73 LYS H Protein B 3 FT #SUB 39 82 GLY G 153 152 ASN H Protein B 3 FT #SUB 41 84 PHE G 117 116 PHE H Protein S 1 FT #SUB 41 84 PHE G 153 152 ASN H Protein S 5 FT #SUB 41 84 PHE G 154 153 GLY H Protein S 1 FT #SUB 41 84 PHE G 155 154 VAL H Protein A 3 FT #SUB 41 84 PHE G 165 164 ALA H Protein S 2 FT #SUB 43 86 LEU G 156 155 VAL H Protein S 1 FT #SUB 37 80 GLU G 1 1 SER J Protein S 1 FT #SUB 36 79 ASP G 2 2 C0F L Protein S 1 FT #SUB 38 81 SER G 5 5 ARG L Protein B 1 FT #SUB 39 82 GLY G 5 5 ARG L Protein B 2 FT #SUB 40 83 ASP G 5 5 ARG L Protein S 4 FT #SUB 41 84 PHE G 3 3 GLY L Protein B 2 FT #SUB 42 85 SER G 2 2 C0F L Protein S 2 FT #SUB 43 86 LEU G 2 2 C0F L Protein A 3 FT DISORDER 1 6 FT DISORDER 45 53 CC SEQUENCE 38 AA (ATOM); CC DMYIERAGDI TWEKDAEVTG NSPRLDVALD ESGDFSLV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPP CC ATOM ------DMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLV------ CC ************************************** CC SEQRES MRE CC ATOM --- CC SQ SEQUENCE 53 AA; MW; CN; MTGKSVDMYI ERAGDITWEK DAEVTGNSPR LDVALDESGD FSLVEEDGPP MRE // ID 6JPWH STANDARD; PRT; 178 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE NS3 protease OS Zika virus (strain Mr 766) CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 20 19 THR H 12 55 ARG G Protein S 2 FT #SUB 21 20 ASP H 12 55 ARG G Protein B 3 FT #SUB 22 21 GLY H 14 57 GLY G Protein B 2 FT #SUB 22 21 GLY H 16 59 ILE G Protein B 2 FT #SUB 23 22 VAL H 12 55 ARG G Protein B 3 FT #SUB 23 22 VAL H 13 56 ALA G Protein A 7 FT #SUB 23 22 VAL H 14 57 GLY G Protein A 8 FT #SUB 23 22 VAL H 16 59 ILE G Protein B 1 FT #SUB 24 23 TYR H 10 53 ILE G Protein S 2 FT #SUB 24 23 TYR H 11 54 GLU G Protein A 6 FT #SUB 24 23 TYR H 12 55 ARG G Protein S 15 FT #SUB 25 24 ARG H 9 52 TYR G Protein B 1 FT #SUB 25 24 ARG H 10 53 ILE G Protein B 4 FT #SUB 25 24 ARG H 11 54 GLU G Protein A 6 FT #SUB 26 25 VAL H 8 51 MET G Protein S 1 FT #SUB 26 25 VAL H 9 52 TYR G Protein B 2 FT #SUB 27 26 MET H 8 51 MET G Protein B 4 FT #SUB 27 26 MET H 9 52 TYR G Protein A 15 FT #SUB 28 27 THR H 7 50 ASP G Protein A 3 FT #SUB 28 27 THR H 8 51 MET G Protein S 2 FT #SUB 29 28 ARG H 7 50 ASP G Protein A 3 FT #SUB 34 33 SER H 9 52 TYR G Protein S 2 FT #SUB 41 40 VAL H 16 59 ILE G Protein S 1 FT #SUB 42 41 MET H 10 53 ILE G Protein S 1 FT #SUB 54 53 THR H 8 51 MET G Protein A 3 FT #SUB 59 58 LEU H 8 51 MET G Protein A 4 FT #SUB 60 59 ARG H 7 50 ASP G Protein S 3 FT #SUB 60 59 ARG H 8 51 MET G Protein A 2 FT #SUB 60 59 ARG H 9 52 TYR G Protein A 7 FT #SUB 60 59 ARG H 10 53 ILE G Protein B 2 FT #SUB 61 60 SER H 10 53 ILE G Protein S 2 FT #SUB 66 65 LEU H 10 53 ILE G Protein S 1 FT #SUB 73 72 VAL H 38 81 SER G Protein A 3 FT #SUB 73 72 VAL H 39 82 GLY G Protein B 1 FT #SUB 74 73 LYS H 35 78 LEU G Protein B 1 FT #SUB 74 73 LYS H 36 79 ASP G Protein S 1 FT #SUB 74 73 LYS H 37 80 GLU G Protein A 2 FT #SUB 74 73 LYS H 39 82 GLY G Protein B 3 FT #SUB 95 94 GLU H 18 61 TRP G Protein B 1 FT #SUB 96 95 VAL H 18 61 TRP G Protein B 4 FT #SUB 97 96 GLN H 18 61 TRP G Protein A 26 FT #SUB 97 96 GLN H 19 62 GLU G Protein S 9 FT #SUB 97 96 GLN H 22 65 ALA G Protein S 2 FT #SUB 99 98 LEU H 15 58 ASP G Protein S 1 FT #SUB 99 98 LEU H 16 59 ILE G Protein S 1 FT #SUB 101 100 VAL H 13 56 ALA G Protein S 1 FT #SUB 107 106 ALA H 13 56 ALA G Protein S 1 FT #SUB 109 108 ASN H 17 60 THR G Protein S 3 FT #SUB 109 108 ASN H 19 62 GLU G Protein S 4 FT #SUB 110 109 ILE H 23 66 GLU G Protein A 6 FT #SUB 110 109 ILE H 25 68 THR G Protein S 2 FT #SUB 111 110 GLN H 18 61 TRP G Protein S 6 FT #SUB 111 110 GLN H 22 65 ALA G Protein S 1 FT #SUB 111 110 GLN H 23 66 GLU G Protein A 5 FT #SUB 111 110 GLN H 24 67 VAL G Protein B 4 FT #SUB 111 110 GLN H 25 68 THR G Protein B 2 FT #SUB 112 111 THR H 25 68 THR G Protein A 4 FT #SUB 112 111 THR H 26 69 GLY G Protein S 1 FT #SUB 113 112 LEU H 27 70 ASN G Protein B 1 FT #SUB 113 112 LEU H 28 71 SER G Protein A 7 FT #SUB 114 113 PRO H 28 71 SER G Protein B 2 FT #SUB 115 114 GLY H 28 71 SER G Protein B 4 FT #SUB 115 114 GLY H 29 72 PRO G Protein B 4 FT #SUB 116 115 ILE H 29 72 PRO G Protein B 4 FT #SUB 116 115 ILE H 30 73 ARG G Protein B 2 FT #SUB 116 115 ILE H 31 74 LEU G Protein B 3 FT #SUB 117 116 PHE H 31 74 LEU G Protein A 3 FT #SUB 117 116 PHE H 33 76 VAL G Protein S 3 FT #SUB 117 116 PHE H 41 84 PHE G Protein S 1 FT #SUB 118 117 LYS H 31 74 LEU G Protein A 4 FT #SUB 118 117 LYS H 32 75 ASP G Protein A 3 FT #SUB 118 117 LYS H 33 76 VAL G Protein B 3 FT #SUB 119 118 THR H 33 76 VAL G Protein A 4 FT #SUB 128 127 ALA H 26 69 GLY G Protein B 1 FT #SUB 128 127 ALA H 27 70 ASN G Protein S 2 FT #SUB 128 127 ALA H 29 72 PRO G Protein S 1 FT #SUB 129 128 LEU H 25 68 THR G Protein S 1 FT #SUB 141 140 LEU H 16 59 ILE G Protein S 1 FT #SUB 141 140 LEU H 17 60 THR G Protein S 2 FT #SUB 141 140 LEU H 18 61 TRP G Protein B 1 FT #SUB 142 141 ASP H 18 61 TRP G Protein B 4 FT #SUB 143 142 LYS H 18 61 TRP G Protein A 10 FT #SUB 145 144 GLY H 16 59 ILE G Protein B 1 FT #SUB 147 146 VAL H 16 59 ILE G Protein S 1 FT #SUB 153 152 ASN H 39 82 GLY G Protein S 3 FT #SUB 153 152 ASN H 41 84 PHE G Protein A 5 FT #SUB 154 153 GLY H 41 84 PHE G Protein B 1 FT #SUB 155 154 VAL H 41 84 PHE G Protein S 3 FT #SUB 156 155 VAL H 43 86 LEU G Protein B 1 FT #SUB 157 156 ILE H 31 74 LEU G Protein S 2 FT #SUB 163 162 VAL H 29 72 PRO G Protein S 1 FT #SUB 165 164 ALA H 41 84 PHE G Protein S 2 FT #SUB 52 51 HIS H 5 5 ARG L Protein S 7 FT #SUB 52 51 HIS H 6 6 LYS L Protein S 2 FT #SUB 76 75 ASP H 5 5 ARG L Protein S 4 FT #SUB 130 129 ASP H 6 6 LYS L Protein S 3 FT #SUB 131 130 TYR H 6 6 LYS L Protein B 4 FT #SUB 132 131 PRO H 6 6 LYS L Protein B 1 FT #SUB 133 132 ALA H 6 6 LYS L Protein B 2 FT #SUB 134 133 GLY H 6 6 LYS L Protein B 4 FT #SUB 135 134 THR H 6 6 LYS L Protein B 1 FT #SUB 136 135 SER H 6 6 LYS L Protein A 11 FT #SUB 151 150 TYR H 6 6 LYS L Protein S 2 FT #SUB 152 151 GLY H 4 4 LYS L Protein B 1 FT #SUB 152 151 GLY H 5 5 ARG L Protein B 3 FT #SUB 152 151 GLY H 6 6 LYS L Protein B 1 FT #SUB 153 152 ASN H 5 5 ARG L Protein S 5 FT #SUB 154 153 GLY H 3 3 GLY L Protein B 2 FT #SUB 154 153 GLY H 4 4 LYS L Protein B 8 FT #SUB 155 154 VAL H 2 2 C0F L Protein B 2 FT #SUB 156 155 VAL H 2 2 C0F L Protein A 6 FT #SUB 156 155 VAL H 4 4 LYS L Protein S 1 FT #SUB 162 161 TYR H 4 4 LYS L Protein S 8 FT #SUB 162 161 TYR H 6 6 LYS L Protein S 5 FT DISORDER 1 17 FT DISORDER 172 178 CC SEQUENCE 154 AA (ATOM); CC ETTDGVYRVM TRRLLGSTQV GVGVMQEGVF HTMWHVTKGA ALRSGEGRLD PYWGDVKQDL CC VSYCGPWKLD AAWDGLSEVQ LLAVPPGERA KNIQTLPGIF KTKDGDIGAV ALDYPAGTSG CC SPILDKCGRV IGLYGNGVVI KNGSYVSAIT QGKR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSGALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ATOM -----------------ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTM CC ********************************* CC SEQRES WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ATOM WHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLA CC ************************************************** CC SEQRES VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ATOM VPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGL CC ************************************************** CC SEQRES YGNGVVIKNGSYVSAITQGKREEETPVE CC ATOM YGNGVVIKNGSYVSAITQGKR------- CC ********************* SQ SEQUENCE 178 AA; MW; CN; GSGALWDVPA PKEVKKGETT DGVYRVMTRR LLGSTQVGVG VMQEGVFHTM WHVTKGAALR SGEGRLDPYW GDVKQDLVSY CGPWKLDAAW DGLSEVQLLA VPPGERAKNI QTLPGIFKTK DGDIGAVALD YPAGTSGSPI LDKCGRVIGL YGNGVVIKNG SYVSAITQGK REEETPVE // ID 6JPWJ STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE SER-C0F-GLY-LYS-ARG-LYS OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 6 6 LYS J 105 104 GLU B Protein S 1 FT #SUB 2 2 C0F J 42 85 SER C Protein S 5 FT #SUB 2 2 C0F J 43 86 LEU C Protein S 6 FT #SUB 3 3 GLY J 41 84 PHE C Protein B 2 FT #SUB 5 5 ARG J 38 81 SER C Protein S 1 FT #SUB 5 5 ARG J 39 82 GLY C Protein S 4 FT #SUB 5 5 ARG J 40 83 ASP C Protein S 5 FT #SUB 2 2 C0F J 155 154 VAL D Protein B 3 FT #SUB 2 2 C0F J 156 155 VAL D Protein A 4 FT #SUB 3 3 GLY J 154 153 GLY D Protein B 2 FT #SUB 4 4 LYS J 152 151 GLY D Protein B 1 FT #SUB 4 4 LYS J 154 153 GLY D Protein B 8 FT #SUB 4 4 LYS J 156 155 VAL D Protein S 4 FT #SUB 4 4 LYS J 162 161 TYR D Protein A 7 FT #SUB 5 5 ARG J 52 51 HIS D Protein S 7 FT #SUB 5 5 ARG J 76 75 ASP D Protein S 4 FT #SUB 5 5 ARG J 152 151 GLY D Protein A 4 FT #SUB 5 5 ARG J 153 152 ASN D Protein S 6 FT #SUB 6 6 LYS J 52 51 HIS D Protein B 2 FT #SUB 6 6 LYS J 130 129 ASP D Protein S 3 FT #SUB 6 6 LYS J 131 130 TYR D Protein S 5 FT #SUB 6 6 LYS J 133 132 ALA D Protein B 2 FT #SUB 6 6 LYS J 134 133 GLY D Protein B 4 FT #SUB 6 6 LYS J 135 134 THR D Protein B 1 FT #SUB 6 6 LYS J 136 135 SER D Protein A 12 FT #SUB 6 6 LYS J 151 150 TYR D Protein S 2 FT #SUB 6 6 LYS J 152 151 GLY D Protein B 1 FT #SUB 6 6 LYS J 162 161 TYR D Protein S 6 FT #SUB 1 1 SER J 37 80 GLU G Protein B 1 CC SEQUENCE 6 AA (ATOM); CC SXGKRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SXGKRK CC ATOM SXGKRK CC ****** SQ SEQUENCE 6 AA; MW; CN; SXGKRK // ID 6JPWK STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE SER-C0F-GLY-LYS-ARG-LYS OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 2 2 C0F K 42 85 SER E Protein S 4 FT #SUB 2 2 C0F K 43 86 LEU E Protein S 7 FT #SUB 3 3 GLY K 41 84 PHE E Protein B 2 FT #SUB 5 5 ARG K 38 81 SER E Protein S 1 FT #SUB 5 5 ARG K 39 82 GLY E Protein S 3 FT #SUB 5 5 ARG K 40 83 ASP E Protein S 5 FT #SUB 2 2 C0F K 155 154 VAL F Protein B 3 FT #SUB 2 2 C0F K 156 155 VAL F Protein A 7 FT #SUB 3 3 GLY K 154 153 GLY F Protein B 2 FT #SUB 4 4 LYS K 152 151 GLY F Protein B 1 FT #SUB 4 4 LYS K 154 153 GLY F Protein B 6 FT #SUB 4 4 LYS K 156 155 VAL F Protein S 1 FT #SUB 4 4 LYS K 162 161 TYR F Protein A 5 FT #SUB 5 5 ARG K 52 51 HIS F Protein S 6 FT #SUB 5 5 ARG K 76 75 ASP F Protein S 4 FT #SUB 5 5 ARG K 152 151 GLY F Protein A 4 FT #SUB 5 5 ARG K 153 152 ASN F Protein S 6 FT #SUB 6 6 LYS K 52 51 HIS F Protein B 2 FT #SUB 6 6 LYS K 130 129 ASP F Protein S 3 FT #SUB 6 6 LYS K 131 130 TYR F Protein S 4 FT #SUB 6 6 LYS K 133 132 ALA F Protein B 2 FT #SUB 6 6 LYS K 134 133 GLY F Protein B 4 FT #SUB 6 6 LYS K 135 134 THR F Protein B 1 FT #SUB 6 6 LYS K 136 135 SER F Protein A 11 FT #SUB 6 6 LYS K 151 150 TYR F Protein S 1 FT #SUB 6 6 LYS K 152 151 GLY F Protein B 1 FT #SUB 6 6 LYS K 162 161 TYR F Protein S 5 CC SEQUENCE 6 AA (ATOM); CC SXGKRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SXGKRK CC ATOM SXGKRK CC ****** SQ SEQUENCE 6 AA; MW; CN; SXGKRK // ID 6JPWL STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 6JPW DE SER-C0F-GLY-LYS-ARG-LYS OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.170 FT #SUB 2 2 C0F L 36 79 ASP G Protein S 1 FT #SUB 2 2 C0F L 42 85 SER G Protein S 2 FT #SUB 2 2 C0F L 43 86 LEU G Protein S 3 FT #SUB 3 3 GLY L 41 84 PHE G Protein B 2 FT #SUB 5 5 ARG L 38 81 SER G Protein S 1 FT #SUB 5 5 ARG L 39 82 GLY G Protein S 2 FT #SUB 5 5 ARG L 40 83 ASP G Protein S 4 FT #SUB 2 2 C0F L 155 154 VAL H Protein B 2 FT #SUB 2 2 C0F L 156 155 VAL H Protein A 6 FT #SUB 3 3 GLY L 154 153 GLY H Protein B 2 FT #SUB 4 4 LYS L 152 151 GLY H Protein B 1 FT #SUB 4 4 LYS L 154 153 GLY H Protein B 8 FT #SUB 4 4 LYS L 156 155 VAL H Protein S 1 FT #SUB 4 4 LYS L 162 161 TYR H Protein A 8 FT #SUB 5 5 ARG L 52 51 HIS H Protein S 7 FT #SUB 5 5 ARG L 76 75 ASP H Protein S 4 FT #SUB 5 5 ARG L 152 151 GLY H Protein A 3 FT #SUB 5 5 ARG L 153 152 ASN H Protein S 5 FT #SUB 6 6 LYS L 52 51 HIS H Protein B 2 FT #SUB 6 6 LYS L 130 129 ASP H Protein S 3 FT #SUB 6 6 LYS L 131 130 TYR H Protein S 4 FT #SUB 6 6 LYS L 132 131 PRO H Protein S 1 FT #SUB 6 6 LYS L 133 132 ALA H Protein B 2 FT #SUB 6 6 LYS L 134 133 GLY H Protein B 4 FT #SUB 6 6 LYS L 135 134 THR H Protein B 1 FT #SUB 6 6 LYS L 136 135 SER H Protein A 11 FT #SUB 6 6 LYS L 151 150 TYR H Protein S 2 FT #SUB 6 6 LYS L 152 151 GLY H Protein B 1 FT #SUB 6 6 LYS L 162 161 TYR H Protein S 5 CC SEQUENCE 6 AA (ATOM); CC SXGKRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SXGKRK CC ATOM SXGKRK CC ****** SQ SEQUENCE 6 AA; MW; CN; SXGKRK //