| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: GOL_A_6(3RR7) / Model_18(3RR7/A) = [3.5]
| Download | 591.59 | 5.15 | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |
| Complex: DCP_B_2(5KTQ) / Model_9(5KTQ/A) = [4.0]
| Download | 1994.02 | 5.58 | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |
| Complex: CHAIN_C_2(1U47) / Model_101(1U47/A) = [4.5]
| Download | - | - | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |
| Complex: DG3_A_4(3RRG) / Model_20(3RRG/A) = [5.1]
| Download | 1255.32 | 3.43 | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |
| Complex: DDS_A_6(1QSY) / Model_7(1QSY/A) = [5.1]
| Download | 1348.86 | 3.46 | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |
Consensus
[pKd Mean = 4.44] | - | 1297
(s=496) | 4
(s=1) | MQKKTFTIIDGYGFLFGAYYVLHHLTTTTGMPIGAVYGFLNMVLKYITHSDYLTIALDSGKKNFRHDLYPEYKANRVTPPEGLIPQFTILREAIEAFNLSYEEIEGYEADDIIATLTAKYANHQDLKVVIISSDKDLFQLLNYDVLIFDPIKNIYIDEKQVIEKFGVNSNKLLDLFSLTGDVSDNIPGVPGIGPKTAAKLLDRFNSLNNTIENINNIKQTRTRNILTEHKEKALISRKLLSLCEKVDLQHDVIKYKVLSPNMEKLLSFLKKYEFNSLIGKVEKLFSYNESSTKERTEYSSEALEKFLECCRYEGKVAIHCHFENNVLSKISLSYNEDNIFYIDQNRSQDALITINSALFSNGILKIIHDTRETRKTIPTIEKVLGSVDDLMIMSYSLDTGKHDHSIPNIIAHNLSENVETFSAKTLIAIHEKLKQRLFKEKLFTIYERFDKPLMKVIFNMEKNGILLNIHKLQELSDKFQQLIAVLENDIYNLAGEKFNIASPKQLSDVLFNKMGLNKKKKLKSGSYSTNSVVLEELEIEGVEIASKILDWRHLSKLKSTYTDALIKQVDPLDGRIHTNFSTTVTATGRLSSSSPNLQNIPIRSKEGNLIRQTFIAPKGYKIISADYSQIELRLLAHVANVTAFKEAFANGKDIHGITAGQVFGVQKDMEVDEQLRRKAKSINFGIMYGISQFGLAKRLGITIEEAAEYINYYFSCYPEIKVYMEKVVSTARQHGYVETLFGRRCFVKDINNTIPYLRQFAERAAINAPLQGTAADIIKCAMIQLFDQLKAGKIILQVHDELLVEVENEKVQETAKLMKDVMENIVKISIPLEVEVKISDNWGTTTQTL |