ID 3D23B STANDARD; PRT; 302 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE 3C-like proteinase OS Human coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 57 55 SER B 276 274 GLN C Protein S 2 FT #SUB 61 59 CYS B 278 276 ARG C Protein A 3 FT #SUB 65 63 LEU B 223 221 GLN C Protein S 1 FT #SUB 65 63 LEU B 224 222 ASN C Protein S 2 FT #SUB 80 78 VAL B 223 221 GLN C Protein B 1 FT #SUB 80 78 VAL B 224 222 ASN C Protein A 6 FT #SUB 80 78 VAL B 225 223 ASP C Protein A 4 FT #SUB 81 79 SER B 223 221 GLN C Protein A 3 FT #SUB 81 79 SER B 225 223 ASP C Protein S 3 FT #SUB 82 80 TYR B 223 221 GLN C Protein A 11 FT #SUB 83 81 GLN B 270 268 ARG C Protein S 2 FT #SUB 83 81 GLN B 273 271 MET C Protein S 2 FT #SUB 84 82 MET B 276 274 GLN C Protein B 2 FT #SUB 36 34 ASP B 48 46 SER D Protein S 6 FT #SUB 74 72 ARG B 168 166 GLU D Protein S 3 FT #SUB 74 72 ARG B 172 170 GLY D Protein S 4 FT #SUB 74 72 ARG B 174 172 HIS D Protein S 1 FT #SUB 76 74 SER B 144 142 CYS D Protein B 1 FT #SUB 94 92 SER B 144 142 CYS D Protein S 1 FT #SUB 95 93 LEU B 51 49 MET D Protein S 2 FT #SUB 95 93 LEU B 191 189 GLN D Protein S 2 FT #SUB 96 94 GLN B 48 46 SER D Protein A 9 FT #SUB 96 94 GLN B 51 49 MET D Protein A 3 FT #SUB 96 94 GLN B 52 50 ASN D Protein S 5 FT #SUB 96 94 GLN B 191 189 GLN D Protein B 3 FT #SUB 97 95 ASN B 52 50 ASN D Protein B 1 FT #SUB 98 96 PRO B 52 50 ASN D Protein A 3 FT #SUB 98 96 PRO B 191 189 GLN D Protein S 2 FT #SUB 29 27 LEU B 5 5 PJE H Protein S 1 FT #SUB 43 41 HIS B 4 4 LEU H Protein S 2 FT #SUB 43 41 HIS B 5 5 PJE H Protein S 1 FT #SUB 142 140 PHE B 5 5 PJE H Protein A 3 FT #SUB 143 141 LEU B 5 5 PJE H Protein B 2 FT #SUB 144 142 CYS B 5 5 PJE H Protein B 1 FT #SUB 144 142 CYS B 6 6 010 H Protein S 4 FT #SUB 145 143 GLY B 5 5 PJE H Protein B 3 FT #SUB 145 143 GLY B 6 6 010 H Protein B 1 FT #SUB 147 145 CYS B 5 5 PJE H Protein A 10 FT #SUB 165 163 HIS B 5 5 PJE H Protein S 4 FT #SUB 166 164 GLN B 4 4 LEU H Protein B 3 FT #SUB 166 164 GLN B 5 5 PJE H Protein B 3 FT #SUB 167 165 LEU B 3 3 VAL H Protein A 3 FT #SUB 167 165 LEU B 4 4 LEU H Protein S 1 FT #SUB 168 166 GLU B 2 2 ALA H Protein B 3 FT #SUB 168 166 GLU B 3 3 VAL H Protein A 8 FT #SUB 168 166 GLU B 5 5 PJE H Protein S 4 FT #SUB 169 167 LEU B 2 2 ALA H Protein S 1 FT #SUB 174 172 HIS B 5 5 PJE H Protein S 2 FT #SUB 189 187 ASP B 4 4 LEU H Protein A 2 FT #SUB 191 189 GLN B 2 2 ALA H Protein A 4 FT #SUB 191 189 GLN B 3 3 VAL H Protein S 3 FT #SUB 191 189 GLN B 4 4 LEU H Protein S 9 FT #SUB 192 190 VAL B 1 1 02J H Protein B 4 FT #SUB 192 190 VAL B 2 2 ALA H Protein B 4 FT #SUB 193 191 VAL B 1 1 02J H Protein A 4 FT #SUB 194 192 GLN B 2 2 ALA H Protein S 1 FT #SUB 75 73 MET B 3 3 VAL G Protein S 1 FT #SUB 75 73 MET B 5 5 PJE G Protein S 1 FT #SUB 95 93 LEU B 3 3 VAL G Protein S 1 FT #SUB 95 93 LEU B 4 4 LEU G Protein S 1 FT #SUB 98 96 PRO B 1 1 02J G Protein A 2 FT #SUB 98 96 PRO B 2 2 ALA G Protein S 2 FT #SUB 98 96 PRO B 3 3 VAL G Protein S 1 FT #SUB 99 97 TYR B 1 1 02J G Protein S 8 FT DISORDER 1 1 CC SEQUENCE 301 AA (ATOM); CC SSGIVKMVSP TSKIEPCIVS VTYGSMTLNG LWLDDKVYCP RHVICSSSNM NEPDYSALLC CC RVTLGDFTIM SGRMSLTVVS YQMQGCQLVL TVSLQNPYTP KYTFGNVKPG ETFTVLAAYN CC GRPQGAFHVT MRSSYTIKGS FLCGSCGSVG YVLTGDSVKF VYMHQLELST GCHTGTDFTG CC NFYGPYRDAQ VVQLPVKDYV QTVNVIAWLY AAILNNCAWF VQNDVCSTED FNVWAMANGF CC SQVKADLVLD ALASMTGVSI ETLLAAIKRL YMGFQGRQIL GSCTFEDELA PSDVYQQLAG CC V CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ASSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ATOM -SSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ************************************************* CC SEQRES MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ATOM MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ************************************************** CC SEQRES PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ATOM PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ************************************************** CC SEQRES GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ATOM GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ************************************************** CC SEQRES VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ATOM VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ************************************************** CC SEQRES DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ATOM DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ************************************************** CC SEQRES GV CC ATOM GV CC ** SQ SEQUENCE 302 AA; MW; CN; ASSGIVKMVS PTSKIEPCIV SVTYGSMTLN GLWLDDKVYC PRHVICSSSN MNEPDYSALL CRVTLGDFTI MSGRMSLTVV SYQMQGCQLV LTVSLQNPYT PKYTFGNVKP GETFTVLAAY NGRPQGAFHV TMRSSYTIKG SFLCGSCGSV GYVLTGDSVK FVYMHQLELS TGCHTGTDFT GNFYGPYRDA QVVQLPVKDY VQTVNVIAWL YAAILNNCAW FVQNDVCSTE DFNVWAMANG FSQVKADLVL DALASMTGVS IETLLAAIKR LYMGFQGRQI LGSCTFEDEL APSDVYQQLA GV // ID 3D23A STANDARD; PRT; 302 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE 3C-like proteinase OS Human coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 1 -1 ALA A 139 137 LYS C Protein A 5 FT #SUB 1 -1 ALA A 171 169 THR C Protein B 2 FT #SUB 2 0 SER A 139 137 LYS C Protein S 2 FT #SUB 2 0 SER A 171 169 THR C Protein B 1 FT #SUB 2 0 SER A 172 170 GLY C Protein A 5 FT #SUB 2 0 SER A 173 171 CYS C Protein S 3 FT #SUB 4 2 GLY A 140 138 GLY C Protein B 3 FT #SUB 4 2 GLY A 141 139 SER C Protein B 5 FT #SUB 6 4 VAL A 128 126 PHE C Protein S 2 FT #SUB 6 4 VAL A 139 137 LYS C Protein S 1 FT #SUB 6 4 VAL A 141 139 SER C Protein S 1 FT #SUB 7 5 LYS A 128 126 PHE C Protein B 1 FT #SUB 8 6 MET A 127 125 ALA C Protein A 4 FT #SUB 9 7 VAL A 9 7 VAL C Protein S 3 FT #SUB 9 7 VAL A 126 124 GLY C Protein B 2 FT #SUB 9 7 VAL A 127 125 ALA C Protein A 6 FT #SUB 11 9 PRO A 12 10 THR C Protein A 3 FT #SUB 11 9 PRO A 16 14 GLU C Protein A 3 FT #SUB 11 9 PRO A 124 122 PRO C Protein S 1 FT #SUB 11 9 PRO A 125 123 GLN C Protein S 4 FT #SUB 11 9 PRO A 126 124 GLY C Protein S 4 FT #SUB 12 10 THR A 11 9 PRO C Protein S 3 FT #SUB 12 10 THR A 12 10 THR C Protein A 8 FT #SUB 12 10 THR A 16 14 GLU C Protein B 2 FT #SUB 13 11 SER A 12 10 THR C Protein B 1 FT #SUB 13 11 SER A 13 11 SER C Protein A 3 FT #SUB 13 11 SER A 16 14 GLU C Protein A 10 FT #SUB 16 14 GLU A 11 9 PRO C Protein S 4 FT #SUB 16 14 GLU A 12 10 THR C Protein S 2 FT #SUB 16 14 GLU A 13 11 SER C Protein S 9 FT #SUB 125 123 GLN A 11 9 PRO C Protein B 4 FT #SUB 125 123 GLN A 297 295 GLN C Protein S 3 FT #SUB 126 124 GLY A 8 6 MET C Protein B 2 FT #SUB 126 124 GLY A 9 7 VAL C Protein B 2 FT #SUB 126 124 GLY A 11 9 PRO C Protein B 1 FT #SUB 127 125 ALA A 7 5 LYS C Protein B 1 FT #SUB 127 125 ALA A 8 6 MET C Protein B 2 FT #SUB 127 125 ALA A 9 7 VAL C Protein B 5 FT #SUB 128 126 PHE A 6 4 VAL C Protein S 3 FT #SUB 128 126 PHE A 7 5 LYS C Protein S 1 FT #SUB 128 126 PHE A 8 6 MET C Protein S 1 FT #SUB 139 137 LYS A 6 4 VAL C Protein B 1 FT #SUB 140 138 GLY A 4 2 GLY C Protein B 3 FT #SUB 141 139 SER A 4 2 GLY C Protein A 2 FT #SUB 141 139 SER A 6 4 VAL C Protein S 1 FT #SUB 141 139 SER A 298 296 GLN C Protein S 5 FT #SUB 143 141 LEU A 298 296 GLN C Protein S 3 FT #SUB 143 141 LEU A 299 297 LEU C Protein S 1 FT #SUB 156 154 GLY A 123 121 ARG C Protein B 2 FT #SUB 171 169 THR A 217 215 ASN C Protein S 2 FT #SUB 172 170 GLY A 4 2 GLY C Protein B 2 FT #SUB 279 277 GLN A 285 283 THR C Protein S 1 FT #SUB 284 282 CYS A 284 282 CYS C Protein S 2 FT #SUB 285 283 THR A 279 277 GLN C Protein S 1 FT #SUB 298 296 GLN A 141 139 SER C Protein S 5 FT #SUB 298 296 GLN A 143 141 LEU C Protein B 1 FT #SUB 299 297 LEU A 143 141 LEU C Protein B 1 FT #SUB 301 299 GLY A 143 141 LEU C Protein B 1 FT #SUB 43 41 HIS A 4 4 LEU F Protein S 2 FT #SUB 43 41 HIS A 5 5 PJE F Protein S 1 FT #SUB 142 140 PHE A 5 5 PJE F Protein A 5 FT #SUB 144 142 CYS A 6 6 010 F Protein S 4 FT #SUB 145 143 GLY A 5 5 PJE F Protein B 3 FT #SUB 145 143 GLY A 6 6 010 F Protein B 1 FT #SUB 146 144 SER A 5 5 PJE F Protein S 1 FT #SUB 147 145 CYS A 5 5 PJE F Protein A 9 FT #SUB 165 163 HIS A 5 5 PJE F Protein S 5 FT #SUB 166 164 GLN A 4 4 LEU F Protein B 3 FT #SUB 166 164 GLN A 5 5 PJE F Protein B 3 FT #SUB 167 165 LEU A 3 3 VAL F Protein A 3 FT #SUB 167 165 LEU A 4 4 LEU F Protein S 1 FT #SUB 168 166 GLU A 2 2 ALA F Protein B 3 FT #SUB 168 166 GLU A 3 3 VAL F Protein A 9 FT #SUB 168 166 GLU A 5 5 PJE F Protein S 5 FT #SUB 169 167 LEU A 2 2 ALA F Protein S 1 FT #SUB 174 172 HIS A 5 5 PJE F Protein S 2 FT #SUB 191 189 GLN A 1 1 02J F Protein B 1 FT #SUB 191 189 GLN A 2 2 ALA F Protein A 4 FT #SUB 191 189 GLN A 3 3 VAL F Protein S 2 FT #SUB 191 189 GLN A 4 4 LEU F Protein S 9 FT #SUB 192 190 VAL A 1 1 02J F Protein B 5 FT #SUB 192 190 VAL A 2 2 ALA F Protein B 4 FT #SUB 193 191 VAL A 1 1 02J F Protein A 4 FT #SUB 194 192 GLN A 2 2 ALA F Protein S 1 FT DISORDER 48 50 CC SEQUENCE 299 AA (ATOM); CC ASSGIVKMVS PTSKIEPCIV SVTYGSMTLN GLWLDDKVYC PRHVICSMNE PDYSALLCRV CC TLGDFTIMSG RMSLTVVSYQ MQGCQLVLTV SLQNPYTPKY TFGNVKPGET FTVLAAYNGR CC PQGAFHVTMR SSYTIKGSFL CGSCGSVGYV LTGDSVKFVY MHQLELSTGC HTGTDFTGNF CC YGPYRDAQVV QLPVKDYVQT VNVIAWLYAA ILNNCAWFVQ NDVCSTEDFN VWAMANGFSQ CC VKADLVLDAL ASMTGVSIET LLAAIKRLYM GFQGRQILGS CTFEDELAPS DVYQQLAGV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ASSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ATOM ASSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICS--- CC *********************************************** CC SEQRES MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ATOM MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ************************************************** CC SEQRES PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ATOM PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ************************************************** CC SEQRES GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ATOM GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ************************************************** CC SEQRES VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ATOM VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ************************************************** CC SEQRES DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ATOM DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ************************************************** CC SEQRES GV CC ATOM GV CC ** SQ SEQUENCE 302 AA; MW; CN; ASSGIVKMVS PTSKIEPCIV SVTYGSMTLN GLWLDDKVYC PRHVICSSSN MNEPDYSALL CRVTLGDFTI MSGRMSLTVV SYQMQGCQLV LTVSLQNPYT PKYTFGNVKP GETFTVLAAY NGRPQGAFHV TMRSSYTIKG SFLCGSCGSV GYVLTGDSVK FVYMHQLELS TGCHTGTDFT GNFYGPYRDA QVVQLPVKDY VQTVNVIAWL YAAILNNCAW FVQNDVCSTE DFNVWAMANG FSQVKADLVL DALASMTGVS IETLLAAIKR LYMGFQGRQI LGSCTFEDEL APSDVYQQLA GV // ID 3D23C STANDARD; PRT; 302 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE 3C-like proteinase OS Human coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 223 221 GLN C 65 63 LEU B Protein S 1 FT #SUB 223 221 GLN C 80 78 VAL B Protein S 1 FT #SUB 223 221 GLN C 81 79 SER B Protein S 3 FT #SUB 223 221 GLN C 82 80 TYR B Protein S 11 FT #SUB 224 222 ASN C 65 63 LEU B Protein S 2 FT #SUB 224 222 ASN C 80 78 VAL B Protein A 6 FT #SUB 225 223 ASP C 80 78 VAL B Protein A 4 FT #SUB 225 223 ASP C 81 79 SER B Protein S 3 FT #SUB 270 268 ARG C 83 81 GLN B Protein A 2 FT #SUB 273 271 MET C 83 81 GLN B Protein S 2 FT #SUB 276 274 GLN C 57 55 SER B Protein B 2 FT #SUB 276 274 GLN C 84 82 MET B Protein S 2 FT #SUB 278 276 ARG C 61 59 CYS B Protein S 3 FT #SUB 4 2 GLY C 140 138 GLY A Protein B 3 FT #SUB 4 2 GLY C 141 139 SER A Protein B 2 FT #SUB 4 2 GLY C 172 170 GLY A Protein B 2 FT #SUB 6 4 VAL C 128 126 PHE A Protein S 3 FT #SUB 6 4 VAL C 139 137 LYS A Protein S 1 FT #SUB 6 4 VAL C 141 139 SER A Protein S 1 FT #SUB 7 5 LYS C 127 125 ALA A Protein B 1 FT #SUB 7 5 LYS C 128 126 PHE A Protein B 1 FT #SUB 8 6 MET C 126 124 GLY A Protein S 2 FT #SUB 8 6 MET C 127 125 ALA A Protein B 2 FT #SUB 8 6 MET C 128 126 PHE A Protein S 1 FT #SUB 9 7 VAL C 9 7 VAL A Protein S 3 FT #SUB 9 7 VAL C 126 124 GLY A Protein B 2 FT #SUB 9 7 VAL C 127 125 ALA A Protein A 5 FT #SUB 11 9 PRO C 12 10 THR A Protein A 3 FT #SUB 11 9 PRO C 16 14 GLU A Protein A 4 FT #SUB 11 9 PRO C 125 123 GLN A Protein S 4 FT #SUB 11 9 PRO C 126 124 GLY A Protein S 1 FT #SUB 12 10 THR C 11 9 PRO A Protein S 3 FT #SUB 12 10 THR C 12 10 THR A Protein A 8 FT #SUB 12 10 THR C 13 11 SER A Protein S 1 FT #SUB 12 10 THR C 16 14 GLU A Protein B 2 FT #SUB 13 11 SER C 13 11 SER A Protein A 3 FT #SUB 13 11 SER C 16 14 GLU A Protein A 9 FT #SUB 16 14 GLU C 11 9 PRO A Protein S 3 FT #SUB 16 14 GLU C 12 10 THR A Protein S 2 FT #SUB 16 14 GLU C 13 11 SER A Protein S 10 FT #SUB 123 121 ARG C 156 154 GLY A Protein S 2 FT #SUB 124 122 PRO C 11 9 PRO A Protein B 1 FT #SUB 125 123 GLN C 11 9 PRO A Protein B 4 FT #SUB 126 124 GLY C 9 7 VAL A Protein B 2 FT #SUB 126 124 GLY C 11 9 PRO A Protein B 4 FT #SUB 127 125 ALA C 8 6 MET A Protein B 4 FT #SUB 127 125 ALA C 9 7 VAL A Protein B 6 FT #SUB 128 126 PHE C 6 4 VAL A Protein S 2 FT #SUB 128 126 PHE C 7 5 LYS A Protein S 1 FT #SUB 139 137 LYS C 1 -1 ALA A Protein S 5 FT #SUB 139 137 LYS C 2 0 SER A Protein S 2 FT #SUB 139 137 LYS C 6 4 VAL A Protein B 1 FT #SUB 140 138 GLY C 4 2 GLY A Protein B 3 FT #SUB 141 139 SER C 4 2 GLY A Protein A 5 FT #SUB 141 139 SER C 6 4 VAL A Protein S 1 FT #SUB 141 139 SER C 298 296 GLN A Protein S 5 FT #SUB 143 141 LEU C 298 296 GLN A Protein S 1 FT #SUB 143 141 LEU C 299 297 LEU A Protein S 1 FT #SUB 143 141 LEU C 301 299 GLY A Protein S 1 FT #SUB 171 169 THR C 1 -1 ALA A Protein B 2 FT #SUB 171 169 THR C 2 0 SER A Protein B 1 FT #SUB 172 170 GLY C 2 0 SER A Protein B 5 FT #SUB 173 171 CYS C 2 0 SER A Protein A 3 FT #SUB 217 215 ASN C 171 169 THR A Protein S 2 FT #SUB 279 277 GLN C 285 283 THR A Protein S 1 FT #SUB 284 282 CYS C 284 282 CYS A Protein S 2 FT #SUB 285 283 THR C 279 277 GLN A Protein S 1 FT #SUB 297 295 GLN C 125 123 GLN A Protein S 3 FT #SUB 298 296 GLN C 141 139 SER A Protein S 5 FT #SUB 298 296 GLN C 143 141 LEU A Protein B 3 FT #SUB 299 297 LEU C 143 141 LEU A Protein B 1 FT #SUB 226 224 VAL C 25 23 GLY D Protein S 1 FT #SUB 26 24 SER C 6 6 010 E Protein B 1 FT #SUB 27 25 MET C 6 6 010 E Protein A 12 FT #SUB 28 26 THR C 6 6 010 E Protein B 10 FT #SUB 29 27 LEU C 5 5 PJE E Protein S 1 FT #SUB 43 41 HIS C 4 4 LEU E Protein S 3 FT #SUB 43 41 HIS C 5 5 PJE E Protein S 1 FT #SUB 142 140 PHE C 5 5 PJE E Protein A 5 FT #SUB 145 143 GLY C 5 5 PJE E Protein B 4 FT #SUB 145 143 GLY C 6 6 010 E Protein B 1 FT #SUB 146 144 SER C 5 5 PJE E Protein A 2 FT #SUB 147 145 CYS C 4 4 LEU E Protein S 1 FT #SUB 147 145 CYS C 5 5 PJE E Protein A 15 FT #SUB 165 163 HIS C 5 5 PJE E Protein S 5 FT #SUB 166 164 GLN C 4 4 LEU E Protein B 3 FT #SUB 166 164 GLN C 5 5 PJE E Protein B 3 FT #SUB 167 165 LEU C 2 2 ALA E Protein S 1 FT #SUB 167 165 LEU C 3 3 VAL E Protein A 3 FT #SUB 167 165 LEU C 4 4 LEU E Protein S 1 FT #SUB 168 166 GLU C 2 2 ALA E Protein B 3 FT #SUB 168 166 GLU C 3 3 VAL E Protein A 9 FT #SUB 168 166 GLU C 5 5 PJE E Protein S 7 FT #SUB 169 167 LEU C 2 2 ALA E Protein S 1 FT #SUB 174 172 HIS C 5 5 PJE E Protein S 2 FT #SUB 189 187 ASP C 4 4 LEU E Protein B 1 FT #SUB 191 189 GLN C 1 1 02J E Protein B 4 FT #SUB 191 189 GLN C 2 2 ALA E Protein A 5 FT #SUB 191 189 GLN C 3 3 VAL E Protein S 3 FT #SUB 191 189 GLN C 4 4 LEU E Protein S 7 FT #SUB 192 190 VAL C 1 1 02J E Protein B 9 FT #SUB 192 190 VAL C 2 2 ALA E Protein B 5 FT #SUB 193 191 VAL C 1 1 02J E Protein A 6 FT #SUB 194 192 GLN C 2 2 ALA E Protein S 1 FT DISORDER 1 3 FT DISORDER 302 302 CC SEQUENCE 298 AA (ATOM); CC GIVKMVSPTS KIEPCIVSVT YGSMTLNGLW LDDKVYCPRH VICSSSNMNE PDYSALLCRV CC TLGDFTIMSG RMSLTVVSYQ MQGCQLVLTV SLQNPYTPKY TFGNVKPGET FTVLAAYNGR CC PQGAFHVTMR SSYTIKGSFL CGSCGSVGYV LTGDSVKFVY MHQLELSTGC HTGTDFTGNF CC YGPYRDAQVV QLPVKDYVQT VNVIAWLYAA ILNNCAWFVQ NDVCSTEDFN VWAMANGFSQ CC VKADLVLDAL ASMTGVSIET LLAAIKRLYM GFQGRQILGS CTFEDELAPS DVYQQLAG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ASSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ATOM ---GIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC *********************************************** CC SEQRES MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ATOM MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ************************************************** CC SEQRES PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ATOM PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ************************************************** CC SEQRES GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ATOM GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ************************************************** CC SEQRES VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ATOM VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ************************************************** CC SEQRES DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ATOM DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ************************************************** CC SEQRES GV CC ATOM G- CC * SQ SEQUENCE 302 AA; MW; CN; ASSGIVKMVS PTSKIEPCIV SVTYGSMTLN GLWLDDKVYC PRHVICSSSN MNEPDYSALL CRVTLGDFTI MSGRMSLTVV SYQMQGCQLV LTVSLQNPYT PKYTFGNVKP GETFTVLAAY NGRPQGAFHV TMRSSYTIKG SFLCGSCGSV GYVLTGDSVK FVYMHQLELS TGCHTGTDFT GNFYGPYRDA QVVQLPVKDY VQTVNVIAWL YAAILNNCAW FVQNDVCSTE DFNVWAMANG FSQVKADLVL DALASMTGVS IETLLAAIKR LYMGFQGRQI LGSCTFEDEL APSDVYQQLA GV // ID 3D23D STANDARD; PRT; 302 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE 3C-like proteinase OS Human coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 48 46 SER D 36 34 ASP B Protein S 6 FT #SUB 48 46 SER D 96 94 GLN B Protein A 9 FT #SUB 51 49 MET D 95 93 LEU B Protein S 2 FT #SUB 51 49 MET D 96 94 GLN B Protein S 3 FT #SUB 52 50 ASN D 96 94 GLN B Protein S 5 FT #SUB 52 50 ASN D 97 95 ASN B Protein S 1 FT #SUB 52 50 ASN D 98 96 PRO B Protein S 3 FT #SUB 144 142 CYS D 76 74 SER B Protein S 1 FT #SUB 144 142 CYS D 94 92 SER B Protein S 1 FT #SUB 168 166 GLU D 74 72 ARG B Protein S 3 FT #SUB 172 170 GLY D 74 72 ARG B Protein B 4 FT #SUB 174 172 HIS D 74 72 ARG B Protein S 1 FT #SUB 191 189 GLN D 95 93 LEU B Protein S 2 FT #SUB 191 189 GLN D 96 94 GLN B Protein S 3 FT #SUB 191 189 GLN D 98 96 PRO B Protein A 2 FT #SUB 25 23 GLY D 226 224 VAL C Protein B 1 FT #SUB 26 24 SER D 6 6 010 G Protein B 1 FT #SUB 27 25 MET D 6 6 010 G Protein A 10 FT #SUB 28 26 THR D 6 6 010 G Protein B 8 FT #SUB 29 27 LEU D 5 5 PJE G Protein S 1 FT #SUB 43 41 HIS D 4 4 LEU G Protein S 1 FT #SUB 43 41 HIS D 5 5 PJE G Protein S 1 FT #SUB 51 49 MET D 4 4 LEU G Protein B 1 FT #SUB 142 140 PHE D 5 5 PJE G Protein A 3 FT #SUB 143 141 LEU D 5 5 PJE G Protein B 1 FT #SUB 144 142 CYS D 5 5 PJE G Protein A 5 FT #SUB 145 143 GLY D 5 5 PJE G Protein B 5 FT #SUB 145 143 GLY D 6 6 010 G Protein B 2 FT #SUB 146 144 SER D 5 5 PJE G Protein B 1 FT #SUB 147 145 CYS D 5 5 PJE G Protein A 14 FT #SUB 165 163 HIS D 5 5 PJE G Protein S 3 FT #SUB 166 164 GLN D 4 4 LEU G Protein B 3 FT #SUB 166 164 GLN D 5 5 PJE G Protein B 3 FT #SUB 167 165 LEU D 3 3 VAL G Protein A 3 FT #SUB 167 165 LEU D 4 4 LEU G Protein S 1 FT #SUB 168 166 GLU D 2 2 ALA G Protein B 3 FT #SUB 168 166 GLU D 3 3 VAL G Protein A 8 FT #SUB 168 166 GLU D 5 5 PJE G Protein S 7 FT #SUB 174 172 HIS D 5 5 PJE G Protein S 2 FT #SUB 189 187 ASP D 4 4 LEU G Protein B 2 FT #SUB 191 189 GLN D 1 1 02J G Protein B 3 FT #SUB 191 189 GLN D 2 2 ALA G Protein A 6 FT #SUB 191 189 GLN D 3 3 VAL G Protein S 2 FT #SUB 191 189 GLN D 4 4 LEU G Protein S 7 FT #SUB 192 190 VAL D 1 1 02J G Protein B 8 FT #SUB 192 190 VAL D 2 2 ALA G Protein B 5 FT #SUB 193 191 VAL D 1 1 02J G Protein A 7 FT #SUB 194 192 GLN D 2 2 ALA G Protein S 1 FT DISORDER 1 2 FT DISORDER 302 302 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 299 AA (ATOM); CC SGIVKMVSPT SKIEPCIVSV TYGSMTLNGL WLDDKVYCPR HVICSSSNMN EPDYSALLCR CC VTLGDFTIMS GRMSLTVVSY QMQGCQLVLT VSLQNPYTPK YTFGNVKPGE TFTVLAAYNG CC RPQGAFHVTM RSSYTIKGSF LCGSCGSVGY VLTGDSVKFV YMHQLELSTG CHTGTDFTGN CC FYGPYRDAQV VQLPVKDYVQ TVNVIAWLYA AILNNCAWFV QNDVCSTEDF NVWAMANGFS CC QVKADLVLDA LASMTGVSIE TLLAAIKRLY MGFQGRQILG SCTFEDELAP SDVYQQLAG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ASSGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ATOM --SGIVKMVSPTSKIEPCIVSVTYGSMTLNGLWLDDKVYCPRHVICSSSN CC ************************************************ CC SEQRES MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ATOM MNEPDYSALLCRVTLGDFTIMSGRMSLTVVSYQMQGCQLVLTVSLQNPYT CC ************************************************** CC SEQRES PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ATOM PKYTFGNVKPGETFTVLAAYNGRPQGAFHVTMRSSYTIKGSFLCGSCGSV CC ************************************************** CC SEQRES GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ATOM GYVLTGDSVKFVYMHQLELSTGCHTGTDFTGNFYGPYRDAQVVQLPVKDY CC ************************************************** CC SEQRES VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ATOM VQTVNVIAWLYAAILNNCAWFVQNDVCSTEDFNVWAMANGFSQVKADLVL CC ************************************************** CC SEQRES DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ATOM DALASMTGVSIETLLAAIKRLYMGFQGRQILGSCTFEDELAPSDVYQQLA CC ************************************************** CC SEQRES GV CC ATOM G- CC * SQ SEQUENCE 302 AA; MW; CN; ASSGIVKMVS PTSKIEPCIV SVTYGSMTLN GLWLDDKVYC PRHVICSSSN MNEPDYSALL CRVTLGDFTI MSGRMSLTVV SYQMQGCQLV LTVSLQNPYT PKYTFGNVKP GETFTVLAAY NGRPQGAFHV TMRSSYTIKG SFLCGSCGSV GYVLTGDSVK FVYMHQLELS TGCHTGTDFT GNFYGPYRDA QVVQLPVKDY VQTVNVIAWL YAAILNNCAW FVQNDVCSTE DFNVWAMANG FSQVKADLVL DALASMTGVS IETLLAAIKR LYMGFQGRQI LGSCTFEDEL APSDVYQQLA GV // ID 3D23H STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOX DE Y)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 1 1 02J H 192 190 VAL B Protein A 4 FT #SUB 1 1 02J H 193 191 VAL B Protein A 4 FT #SUB 2 2 ALA H 168 166 GLU B Protein A 3 FT #SUB 2 2 ALA H 169 167 LEU B Protein S 1 FT #SUB 2 2 ALA H 191 189 GLN B Protein B 4 FT #SUB 2 2 ALA H 192 190 VAL B Protein A 4 FT #SUB 2 2 ALA H 194 192 GLN B Protein S 1 FT #SUB 3 3 VAL H 167 165 LEU B Protein B 3 FT #SUB 3 3 VAL H 168 166 GLU B Protein B 8 FT #SUB 3 3 VAL H 191 189 GLN B Protein A 3 FT #SUB 4 4 LEU H 43 41 HIS B Protein S 2 FT #SUB 4 4 LEU H 166 164 GLN B Protein A 3 FT #SUB 4 4 LEU H 167 165 LEU B Protein S 1 FT #SUB 4 4 LEU H 189 187 ASP B Protein S 2 FT #SUB 4 4 LEU H 191 189 GLN B Protein A 9 FT #SUB 5 5 PJE H 29 27 LEU B Protein B 1 FT #SUB 5 5 PJE H 43 41 HIS B Protein S 1 FT #SUB 5 5 PJE H 142 140 PHE B Protein S 3 FT #SUB 5 5 PJE H 143 141 LEU B Protein S 2 FT #SUB 5 5 PJE H 144 142 CYS B Protein S 1 FT #SUB 5 5 PJE H 145 143 GLY B Protein B 3 FT #SUB 5 5 PJE H 147 145 CYS B Protein A 10 FT #SUB 5 5 PJE H 165 163 HIS B Protein S 4 FT #SUB 5 5 PJE H 166 164 GLN B Protein B 3 FT #SUB 5 5 PJE H 168 166 GLU B Protein S 4 FT #SUB 5 5 PJE H 174 172 HIS B Protein S 2 FT #SUB 6 6 010 H 144 142 CYS B Protein S 4 FT #SUB 6 6 010 H 145 143 GLY B Protein B 1 CC SEQUENCE 6 AA (ATOM); CC XAVLXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XAVLXX CC ATOM XAVLXX CC ****** SQ SEQUENCE 6 AA; MW; CN; XAVLXX // ID 3D23F STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOX DE Y)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 1 1 02J F 191 189 GLN A Protein B 1 FT #SUB 1 1 02J F 192 190 VAL A Protein A 5 FT #SUB 1 1 02J F 193 191 VAL A Protein A 4 FT #SUB 2 2 ALA F 168 166 GLU A Protein A 3 FT #SUB 2 2 ALA F 169 167 LEU A Protein S 1 FT #SUB 2 2 ALA F 191 189 GLN A Protein B 4 FT #SUB 2 2 ALA F 192 190 VAL A Protein A 4 FT #SUB 2 2 ALA F 194 192 GLN A Protein S 1 FT #SUB 3 3 VAL F 167 165 LEU A Protein B 3 FT #SUB 3 3 VAL F 168 166 GLU A Protein A 9 FT #SUB 3 3 VAL F 191 189 GLN A Protein B 2 FT #SUB 4 4 LEU F 43 41 HIS A Protein S 2 FT #SUB 4 4 LEU F 166 164 GLN A Protein A 3 FT #SUB 4 4 LEU F 167 165 LEU A Protein S 1 FT #SUB 4 4 LEU F 191 189 GLN A Protein A 9 FT #SUB 5 5 PJE F 43 41 HIS A Protein S 1 FT #SUB 5 5 PJE F 142 140 PHE A Protein S 5 FT #SUB 5 5 PJE F 145 143 GLY A Protein B 3 FT #SUB 5 5 PJE F 146 144 SER A Protein S 1 FT #SUB 5 5 PJE F 147 145 CYS A Protein A 9 FT #SUB 5 5 PJE F 165 163 HIS A Protein S 5 FT #SUB 5 5 PJE F 166 164 GLN A Protein B 3 FT #SUB 5 5 PJE F 168 166 GLU A Protein S 5 FT #SUB 5 5 PJE F 174 172 HIS A Protein S 2 FT #SUB 6 6 010 F 144 142 CYS A Protein S 4 FT #SUB 6 6 010 F 145 143 GLY A Protein B 1 CC SEQUENCE 6 AA (ATOM); CC XAVLXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XAVLXX CC ATOM XAVLXX CC ****** SQ SEQUENCE 6 AA; MW; CN; XAVLXX // ID 3D23E STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOX DE Y)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 1 1 02J E 191 189 GLN C Protein S 4 FT #SUB 1 1 02J E 192 190 VAL C Protein A 9 FT #SUB 1 1 02J E 193 191 VAL C Protein A 6 FT #SUB 2 2 ALA E 167 165 LEU C Protein S 1 FT #SUB 2 2 ALA E 168 166 GLU C Protein A 3 FT #SUB 2 2 ALA E 169 167 LEU C Protein S 1 FT #SUB 2 2 ALA E 191 189 GLN C Protein B 5 FT #SUB 2 2 ALA E 192 190 VAL C Protein A 5 FT #SUB 2 2 ALA E 194 192 GLN C Protein S 1 FT #SUB 3 3 VAL E 167 165 LEU C Protein B 3 FT #SUB 3 3 VAL E 168 166 GLU C Protein A 9 FT #SUB 3 3 VAL E 191 189 GLN C Protein B 3 FT #SUB 4 4 LEU E 43 41 HIS C Protein S 3 FT #SUB 4 4 LEU E 147 145 CYS C Protein B 1 FT #SUB 4 4 LEU E 166 164 GLN C Protein A 3 FT #SUB 4 4 LEU E 167 165 LEU C Protein S 1 FT #SUB 4 4 LEU E 189 187 ASP C Protein S 1 FT #SUB 4 4 LEU E 191 189 GLN C Protein A 7 FT #SUB 5 5 PJE E 29 27 LEU C Protein B 1 FT #SUB 5 5 PJE E 43 41 HIS C Protein S 1 FT #SUB 5 5 PJE E 142 140 PHE C Protein S 5 FT #SUB 5 5 PJE E 145 143 GLY C Protein B 4 FT #SUB 5 5 PJE E 146 144 SER C Protein A 2 FT #SUB 5 5 PJE E 147 145 CYS C Protein A 15 FT #SUB 5 5 PJE E 165 163 HIS C Protein S 5 FT #SUB 5 5 PJE E 166 164 GLN C Protein B 3 FT #SUB 5 5 PJE E 168 166 GLU C Protein S 7 FT #SUB 5 5 PJE E 174 172 HIS C Protein S 2 FT #SUB 6 6 010 E 26 24 SER C Protein S 1 FT #SUB 6 6 010 E 27 25 MET C Protein A 12 FT #SUB 6 6 010 E 28 26 THR C Protein S 10 FT #SUB 6 6 010 E 145 143 GLY C Protein S 1 CC SEQUENCE 6 AA (ATOM); CC XAVLXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XAVLXX CC ATOM XAVLXX CC ****** SQ SEQUENCE 6 AA; MW; CN; XAVLXX // ID 3D23G STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 3D23 DE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOX DE Y)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 1 1 02J G 98 96 PRO B Protein A 2 FT #SUB 1 1 02J G 99 97 TYR B Protein S 8 FT #SUB 2 2 ALA G 98 96 PRO B Protein B 2 FT #SUB 3 3 VAL G 75 73 MET B Protein S 1 FT #SUB 3 3 VAL G 95 93 LEU B Protein S 1 FT #SUB 3 3 VAL G 98 96 PRO B Protein S 1 FT #SUB 4 4 LEU G 95 93 LEU B Protein B 1 FT #SUB 5 5 PJE G 75 73 MET B Protein S 1 FT #SUB 1 1 02J G 191 189 GLN D Protein A 3 FT #SUB 1 1 02J G 192 190 VAL D Protein A 8 FT #SUB 1 1 02J G 193 191 VAL D Protein A 7 FT #SUB 2 2 ALA G 168 166 GLU D Protein A 3 FT #SUB 2 2 ALA G 191 189 GLN D Protein B 6 FT #SUB 2 2 ALA G 192 190 VAL D Protein A 5 FT #SUB 2 2 ALA G 194 192 GLN D Protein S 1 FT #SUB 3 3 VAL G 167 165 LEU D Protein B 3 FT #SUB 3 3 VAL G 168 166 GLU D Protein A 8 FT #SUB 3 3 VAL G 191 189 GLN D Protein B 2 FT #SUB 4 4 LEU G 43 41 HIS D Protein S 1 FT #SUB 4 4 LEU G 51 49 MET D Protein S 1 FT #SUB 4 4 LEU G 166 164 GLN D Protein A 3 FT #SUB 4 4 LEU G 167 165 LEU D Protein S 1 FT #SUB 4 4 LEU G 189 187 ASP D Protein S 2 FT #SUB 4 4 LEU G 191 189 GLN D Protein A 7 FT #SUB 5 5 PJE G 29 27 LEU D Protein B 1 FT #SUB 5 5 PJE G 43 41 HIS D Protein S 1 FT #SUB 5 5 PJE G 142 140 PHE D Protein S 3 FT #SUB 5 5 PJE G 143 141 LEU D Protein S 1 FT #SUB 5 5 PJE G 144 142 CYS D Protein S 5 FT #SUB 5 5 PJE G 145 143 GLY D Protein B 5 FT #SUB 5 5 PJE G 146 144 SER D Protein B 1 FT #SUB 5 5 PJE G 147 145 CYS D Protein A 14 FT #SUB 5 5 PJE G 165 163 HIS D Protein S 3 FT #SUB 5 5 PJE G 166 164 GLN D Protein B 3 FT #SUB 5 5 PJE G 168 166 GLU D Protein S 7 FT #SUB 5 5 PJE G 174 172 HIS D Protein S 2 FT #SUB 6 6 010 G 26 24 SER D Protein S 1 FT #SUB 6 6 010 G 27 25 MET D Protein A 10 FT #SUB 6 6 010 G 28 26 THR D Protein S 8 FT #SUB 6 6 010 G 145 143 GLY D Protein S 2 CC SEQUENCE 6 AA (ATOM); CC XAVLXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XAVLXX CC ATOM XAVLXX CC ****** SQ SEQUENCE 6 AA; MW; CN; XAVLXX //