ID 1DITL STANDARD; PRT; 36 AA. DT CONVERTED FROM PDB (SEQRES) 1DIT DE ALPHA-THROMBIN OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.149 FT #SUB 5 1D GLY L 111 114 PHE H Protein B 4 FT #SUB 5 1D GLY L 117 120 PRO H Protein B 4 FT #SUB 6 1C GLU L 33 47 ILE H Protein S 3 FT #SUB 6 1C GLU L 119 122 CYS H Protein S 1 FT #SUB 6 1C GLU L 120 123 LEU H Protein S 1 FT #SUB 7 1B ALA L 218 206 ARG H Protein B 3 FT #SUB 8 1A ASP L 116 119 HIS H Protein A 6 FT #SUB 8 1A ASP L 218 206 ARG H Protein B 3 FT #SUB 9 1 CYS L 117 120 PRO H Protein B 2 FT #SUB 9 1 CYS L 118 121 VAL H Protein S 2 FT #SUB 9 1 CYS L 119 122 CYS H Protein A 10 FT #SUB 9 1 CYS L 218 206 ARG H Protein A 9 FT #SUB 10 2 GLY L 117 120 PRO H Protein B 2 FT #SUB 10 2 GLY L 119 122 CYS H Protein B 3 FT #SUB 10 2 GLY L 218 206 ARG H Protein B 2 FT #SUB 10 2 GLY L 219 207 TRP H Protein B 5 FT #SUB 11 3 LEU L 116 119 HIS H Protein B 5 FT #SUB 11 3 LEU L 217 205 ASN H Protein S 1 FT #SUB 11 3 LEU L 218 206 ARG H Protein S 2 FT #SUB 12 4 ARG L 10 25 GLY H Protein S 1 FT #SUB 12 4 ARG L 11 26 MET H Protein S 7 FT #SUB 12 4 ARG L 13 28 PRO H Protein S 2 FT #SUB 12 4 ARG L 14 29 TRP H Protein S 4 FT #SUB 12 4 ARG L 219 207 TRP H Protein S 6 FT #SUB 13 5 PRO L 112 115 SER H Protein S 1 FT #SUB 13 5 PRO L 113 116 ASP H Protein S 6 FT #SUB 13 5 PRO L 116 119 HIS H Protein S 4 FT #SUB 14 6 LEU L 113 116 ASP H Protein S 3 FT #SUB 15 7 PHE L 8 23 GLU H Protein S 3 FT #SUB 15 7 PHE L 9 24 ILE H Protein S 2 FT #SUB 15 7 PHE L 10 25 GLY H Protein S 3 FT #SUB 15 7 PHE L 11 26 MET H Protein S 2 FT #SUB 16 8 GLU L 212 202 LYS H Protein S 6 FT #SUB 16 8 GLU L 217 205 ASN H Protein S 3 FT #SUB 16 8 GLU L 219 207 TRP H Protein S 4 FT #SUB 17 9 LYS L 116 119 HIS H Protein S 2 FT #SUB 22 14 ASP L 8 23 GLU H Protein A 6 FT #SUB 22 14 ASP L 11 26 MET H Protein S 5 FT #SUB 22 14 ASP L 137 137 ARG H Protein S 9 FT #SUB 22 14 ASP L 219 207 TRP H Protein S 1 FT #SUB 23 14A LYS L 8 23 GLU H Protein A 5 FT #SUB 24 14B THR L 137 137 ARG H Protein A 4 FT #SUB 24 14B THR L 164 159 ASN H Protein A 3 FT #SUB 25 14C GLU L 137 137 ARG H Protein A 3 FT #SUB 25 14C GLU L 212 202 LYS H Protein S 4 FT #SUB 27 14E GLU L 135 135 LYS H Protein S 6 FT #SUB 27 14E GLU L 164 159 ASN H Protein S 6 FT #SUB 27 14E GLU L 190 184A TYR H Protein S 1 FT #SUB 28 14F LEU L 135 135 LYS H Protein S 1 FT #SUB 28 14F LEU L 164 159 ASN H Protein S 4 FT #SUB 28 14F LEU L 219 207 TRP H Protein S 2 FT #SUB 29 14G LEU L 212 202 LYS H Protein S 2 FT #SUB 31 14I SER L 133 133 GLY H Protein S 2 FT #SUB 31 14I SER L 134 134 TYR H Protein A 4 FT #SUB 31 14I SER L 135 135 LYS H Protein S 6 FT #SUB 32 14J TYR L 134 134 TYR H Protein S 3 FT #SUB 32 14J TYR L 135 135 LYS H Protein S 4 FT #SUB 32 14J TYR L 211 201 MET H Protein S 4 FT #SUB 32 14J TYR L 212 202 LYS H Protein S 5 FT #SUB 32 14J TYR L 214 204 PRO H Protein S 2 FT #SUB 33 14K ILE L 134 134 TYR H Protein S 3 FT DISORDER 1 4 FT DISORDER 34 36 CC SEQUENCE 29 AA (ATOM); CC GEADCGLRPL FEKKSLEDKT ERELLESYI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR CC ATOM ----GEADCGLRPLFEKKSLEDKTERELLESYI--- CC ***************************** SQ SEQUENCE 36 AA; MW; CN; TFGSGEADCG LRPLFEKKSL EDKTERELLE SYIDGR // ID 1DITH STANDARD; PRT; 259 AA. DT CONVERTED FROM PDB (SEQRES) 1DIT DE ALPHA-THROMBIN OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.149 FT #SUB 8 23 GLU H 15 7 PHE L Protein S 3 FT #SUB 8 23 GLU H 22 14 ASP L Protein S 6 FT #SUB 8 23 GLU H 23 14A LYS L Protein S 5 FT #SUB 9 24 ILE H 15 7 PHE L Protein B 2 FT #SUB 10 25 GLY H 12 4 ARG L Protein B 1 FT #SUB 10 25 GLY H 15 7 PHE L Protein B 3 FT #SUB 11 26 MET H 12 4 ARG L Protein A 7 FT #SUB 11 26 MET H 15 7 PHE L Protein B 2 FT #SUB 11 26 MET H 22 14 ASP L Protein S 5 FT #SUB 13 28 PRO H 12 4 ARG L Protein S 2 FT #SUB 14 29 TRP H 12 4 ARG L Protein S 4 FT #SUB 33 47 ILE H 6 1C GLU L Protein B 3 FT #SUB 111 114 PHE H 5 1D GLY L Protein S 4 FT #SUB 112 115 SER H 13 5 PRO L Protein B 1 FT #SUB 113 116 ASP H 13 5 PRO L Protein A 6 FT #SUB 113 116 ASP H 14 6 LEU L Protein A 3 FT #SUB 116 119 HIS H 8 1A ASP L Protein S 6 FT #SUB 116 119 HIS H 11 3 LEU L Protein S 5 FT #SUB 116 119 HIS H 13 5 PRO L Protein S 4 FT #SUB 116 119 HIS H 17 9 LYS L Protein S 2 FT #SUB 117 120 PRO H 5 1D GLY L Protein S 4 FT #SUB 117 120 PRO H 9 1 CYS L Protein B 2 FT #SUB 117 120 PRO H 10 2 GLY L Protein B 2 FT #SUB 118 121 VAL H 9 1 CYS L Protein B 2 FT #SUB 119 122 CYS H 6 1C GLU L Protein B 1 FT #SUB 119 122 CYS H 9 1 CYS L Protein A 10 FT #SUB 119 122 CYS H 10 2 GLY L Protein A 3 FT #SUB 120 123 LEU H 6 1C GLU L Protein B 1 FT #SUB 133 133 GLY H 31 14I SER L Protein B 2 FT #SUB 134 134 TYR H 31 14I SER L Protein A 4 FT #SUB 134 134 TYR H 32 14J TYR L Protein S 3 FT #SUB 134 134 TYR H 33 14K ILE L Protein S 3 FT #SUB 135 135 LYS H 27 14E GLU L Protein S 6 FT #SUB 135 135 LYS H 28 14F LEU L Protein B 1 FT #SUB 135 135 LYS H 31 14I SER L Protein A 6 FT #SUB 135 135 LYS H 32 14J TYR L Protein B 4 FT #SUB 137 137 ARG H 22 14 ASP L Protein S 9 FT #SUB 137 137 ARG H 24 14B THR L Protein S 4 FT #SUB 137 137 ARG H 25 14C GLU L Protein S 3 FT #SUB 164 159 ASN H 24 14B THR L Protein S 3 FT #SUB 164 159 ASN H 27 14E GLU L Protein S 6 FT #SUB 164 159 ASN H 28 14F LEU L Protein S 4 FT #SUB 190 184A TYR H 27 14E GLU L Protein S 1 FT #SUB 211 201 MET H 32 14J TYR L Protein A 4 FT #SUB 212 202 LYS H 16 8 GLU L Protein S 6 FT #SUB 212 202 LYS H 25 14C GLU L Protein S 4 FT #SUB 212 202 LYS H 29 14G LEU L Protein A 2 FT #SUB 212 202 LYS H 32 14J TYR L Protein B 5 FT #SUB 214 204 PRO H 32 14J TYR L Protein S 2 FT #SUB 217 205 ASN H 11 3 LEU L Protein B 1 FT #SUB 217 205 ASN H 16 8 GLU L Protein B 3 FT #SUB 218 206 ARG H 7 1B ALA L Protein S 3 FT #SUB 218 206 ARG H 8 1A ASP L Protein S 3 FT #SUB 218 206 ARG H 9 1 CYS L Protein S 9 FT #SUB 218 206 ARG H 10 2 GLY L Protein B 2 FT #SUB 218 206 ARG H 11 3 LEU L Protein S 2 FT #SUB 219 207 TRP H 10 2 GLY L Protein A 5 FT #SUB 219 207 TRP H 12 4 ARG L Protein S 6 FT #SUB 219 207 TRP H 16 8 GLU L Protein S 4 FT #SUB 219 207 TRP H 22 14 ASP L Protein S 1 FT #SUB 219 207 TRP H 28 14F LEU L Protein S 2 FT #SUB 19 34 PHE H 13 13 PHE P Protein S 6 FT #SUB 19 34 PHE H 16 16 ILE P Protein S 1 FT #SUB 23 37 PRO H 10 10 ASN P Protein S 6 FT #SUB 24 38 GLN H 10 10 ASN P Protein B 2 FT #SUB 24 38 GLN H 14 14 GLU P Protein S 1 FT #SUB 24 38 GLN H 16 16 ILE P Protein S 4 FT #SUB 25 39 GLU H 8 8 GLY P Protein S 2 FT #SUB 25 39 GLU H 10 10 ASN P Protein S 3 FT #SUB 26 40 LEU H 6 6 GLY P Protein B 1 FT #SUB 26 40 LEU H 7 7 GLY P Protein A 4 FT #SUB 27 41 LEU H 6 6 GLY P Protein B 2 FT #SUB 43 57 HIS H 3 3 PRO P Protein S 2 FT #SUB 43 57 HIS H 4 4 0MG P Protein S 5 FT #SUB 47 60A TYR H 3 3 PRO P Protein S 3 FT #SUB 50 60D TRP H 3 3 PRO P Protein S 1 FT #SUB 52 60F LYS H 5 5 GLY P Protein S 4 FT #SUB 60 65 LEU H 16 16 ILE P Protein S 1 FT #SUB 62 67 ARG H 13 13 PHE P Protein S 1 FT #SUB 68 73 ARG H 12 12 ASP P Protein S 6 FT #SUB 68 73 ARG H 13 13 PHE P Protein B 3 FT #SUB 69 74 THR H 12 12 ASP P Protein S 6 FT #SUB 69 74 THR H 13 13 PHE P Protein A 4 FT #SUB 69 74 THR H 14 14 GLU P Protein B 3 FT #SUB 70 75 ARG H 14 14 GLU P Protein A 3 FT #SUB 71 76 TYR H 14 14 GLU P Protein A 11 FT #SUB 71 76 TYR H 15 15 GLU P Protein S 2 FT #SUB 95 98 ASN H 1 1 2PP P Protein B 3 FT #SUB 96 99 LEU H 1 1 2PP P Protein S 1 FT #SUB 96 99 LEU H 3 3 PRO P Protein S 1 FT #SUB 156 151 GLN H 7 7 GLY P Protein S 4 FT #SUB 156 151 GLN H 8 8 GLY P Protein S 2 FT #SUB 156 151 GLN H 9 9 GLY P Protein S 1 FT #SUB 179 174 ILE H 1 1 2PP P Protein S 1 FT #SUB 199 189 ASP H 4 4 0MG P Protein S 9 FT #SUB 200 190 ALA H 4 4 0MG P Protein A 8 FT #SUB 201 191 CYS H 4 4 0MG P Protein B 5 FT #SUB 202 192 GLU H 2 2 ASP P Protein S 1 FT #SUB 202 192 GLU H 3 3 PRO P Protein S 1 FT #SUB 202 192 GLU H 4 4 0MG P Protein A 3 FT #SUB 203 193 GLY H 4 4 0MG P Protein B 4 FT #SUB 203 193 GLY H 5 5 GLY P Protein B 1 FT #SUB 204 194 ASP H 4 4 0MG P Protein B 2 FT #SUB 205 195 SER H 3 3 PRO P Protein S 1 FT #SUB 205 195 SER H 4 4 0MG P Protein A 16 FT #SUB 205 195 SER H 5 5 GLY P Protein S 1 FT #SUB 226 214 SER H 3 3 PRO P Protein B 1 FT #SUB 226 214 SER H 4 4 0MG P Protein B 1 FT #SUB 227 215 TRP H 1 1 2PP P Protein S 2 FT #SUB 227 215 TRP H 2 2 ASP P Protein A 4 FT #SUB 227 215 TRP H 4 4 0MG P Protein B 5 FT #SUB 228 216 GLY H 1 1 2PP P Protein B 3 FT #SUB 228 216 GLY H 2 2 ASP P Protein B 10 FT #SUB 228 216 GLY H 4 4 0MG P Protein B 5 FT #SUB 229 217 GLU H 1 1 2PP P Protein S 2 FT #SUB 229 217 GLU H 2 2 ASP P Protein B 2 FT #SUB 230 219 GLY H 2 2 ASP P Protein B 3 FT #SUB 230 219 GLY H 4 4 0MG P Protein B 3 FT #SUB 231 220 CYS H 4 4 0MG P Protein B 1 FT #SUB 238 226 GLY H 4 4 0MG P Protein B 1 FT DISORDER 147 154 CC SEQUENCE 251 AA (ATOM); CC IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL CC VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL CC PDRETAASLL QAGYKGRVTG WGNLKEGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA CC GYKPDEGKRG DACEGDSGGP FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK CC WIQKVIDQFG E CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ATOM IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ************************************************** CC SEQRES DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ATOM DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ************************************************** CC SEQRES ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA CC ATOM ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKE---- CC ********************************************** CC SEQRES NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ATOM ----GQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ********************************************** CC SEQRES CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ATOM CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ************************************************** CC SEQRES QKVIDQFGE CC ATOM QKVIDQFGE CC ********* SQ SEQUENCE 259 AA; MW; CN; IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL PDRETAASLL QAGYKGRVTG WGNLKETWTA NVGKGQPSVL QVVNLPIVER PVCKDSTRIR ITDNMFCAGY KPDEGKRGDA CEGDSGGPFV MKSPFNNRWY QMGIVSWGEG CDRDGKYGFY THVFRLKKWI QKVIDQFGE // ID 1DITP STANDARD; PRT; 20 AA. DT CONVERTED FROM PDB (SEQRES) 1DIT DE PEPTIDE INHIBITOR CVS995 OS CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.149 FT #SUB 1 1 2PP P 95 98 ASN H Protein S 3 FT #SUB 1 1 2PP P 96 99 LEU H Protein S 1 FT #SUB 1 1 2PP P 179 174 ILE H Protein S 1 FT #SUB 1 1 2PP P 227 215 TRP H Protein S 2 FT #SUB 1 1 2PP P 228 216 GLY H Protein S 3 FT #SUB 1 1 2PP P 229 217 GLU H Protein S 2 FT #SUB 2 2 ASP P 202 192 GLU H Protein S 1 FT #SUB 2 2 ASP P 227 215 TRP H Protein B 4 FT #SUB 2 2 ASP P 228 216 GLY H Protein A 10 FT #SUB 2 2 ASP P 229 217 GLU H Protein S 2 FT #SUB 2 2 ASP P 230 219 GLY H Protein S 3 FT #SUB 3 3 PRO P 43 57 HIS H Protein S 2 FT #SUB 3 3 PRO P 47 60A TYR H Protein S 3 FT #SUB 3 3 PRO P 50 60D TRP H Protein S 1 FT #SUB 3 3 PRO P 96 99 LEU H Protein S 1 FT #SUB 3 3 PRO P 202 192 GLU H Protein B 1 FT #SUB 3 3 PRO P 205 195 SER H Protein B 1 FT #SUB 3 3 PRO P 226 214 SER H Protein B 1 FT #SUB 4 4 0MG P 43 57 HIS H Protein B 5 FT #SUB 4 4 0MG P 199 189 ASP H Protein S 9 FT #SUB 4 4 0MG P 200 190 ALA H Protein S 8 FT #SUB 4 4 0MG P 201 191 CYS H Protein S 5 FT #SUB 4 4 0MG P 202 192 GLU H Protein S 3 FT #SUB 4 4 0MG P 203 193 GLY H Protein A 4 FT #SUB 4 4 0MG P 204 194 ASP H Protein S 2 FT #SUB 4 4 0MG P 205 195 SER H Protein A 16 FT #SUB 4 4 0MG P 226 214 SER H Protein B 1 FT #SUB 4 4 0MG P 227 215 TRP H Protein S 5 FT #SUB 4 4 0MG P 228 216 GLY H Protein S 5 FT #SUB 4 4 0MG P 230 219 GLY H Protein S 3 FT #SUB 4 4 0MG P 231 220 CYS H Protein S 1 FT #SUB 4 4 0MG P 238 226 GLY H Protein S 1 FT #SUB 5 5 GLY P 52 60F LYS H Protein B 4 FT #SUB 5 5 GLY P 203 193 GLY H Protein B 1 FT #SUB 5 5 GLY P 205 195 SER H Protein B 1 FT #SUB 6 6 GLY P 26 40 LEU H Protein B 1 FT #SUB 6 6 GLY P 27 41 LEU H Protein B 2 FT #SUB 7 7 GLY P 26 40 LEU H Protein B 4 FT #SUB 7 7 GLY P 156 151 GLN H Protein B 4 FT #SUB 8 8 GLY P 25 39 GLU H Protein B 2 FT #SUB 8 8 GLY P 156 151 GLN H Protein B 2 FT #SUB 9 9 GLY P 156 151 GLN H Protein B 1 FT #SUB 10 10 ASN P 23 37 PRO H Protein S 6 FT #SUB 10 10 ASN P 24 38 GLN H Protein B 2 FT #SUB 10 10 ASN P 25 39 GLU H Protein S 3 FT #SUB 12 12 ASP P 68 73 ARG H Protein S 6 FT #SUB 12 12 ASP P 69 74 THR H Protein A 6 FT #SUB 13 13 PHE P 19 34 PHE H Protein S 6 FT #SUB 13 13 PHE P 62 67 ARG H Protein S 1 FT #SUB 13 13 PHE P 68 73 ARG H Protein S 3 FT #SUB 13 13 PHE P 69 74 THR H Protein A 4 FT #SUB 14 14 GLU P 24 38 GLN H Protein B 1 FT #SUB 14 14 GLU P 69 74 THR H Protein A 3 FT #SUB 14 14 GLU P 70 75 ARG H Protein S 3 FT #SUB 14 14 GLU P 71 76 TYR H Protein S 11 FT #SUB 15 15 GLU P 71 76 TYR H Protein B 2 FT #SUB 16 16 ILE P 19 34 PHE H Protein S 1 FT #SUB 16 16 ILE P 24 38 GLN H Protein S 4 FT #SUB 16 16 ILE P 60 65 LEU H Protein S 1 FT DISORDER 17 20 CC SEQUENCE 15 AA (ATOM); CC DPXGGGGGNG DFEEI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XDPXGGGGGNGDFEEIPEYL CC ATOM XDPXGGGGGNGDFEEI---- CC **************** SQ SEQUENCE 20 AA; MW; CN; XDPXGGGGGN GDFEEIPEYL //