| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: 3RN_A_4(3TX9) / Model_100(3TX9/A) = [3.2]
| Download | 563.87 | 17.00 | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |
| Complex: NAD_B_6(3KFT) / Model_28(3KFT/A) = [3.6]
| Download | 710.59 | 55.86 | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |
| Complex: TNL_B_10(4AEO) / Model_21(4AEO/B) = [3.7]
| Download | 731.05 | 25.05 | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |
| Complex: FMN_C_3(2GQ9) / Model_48(2GQ9/A) = [4.0]
| Download | 894.56 | 29.57 | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |
| Complex: FMN_E_5(2GQ8) / Model_49(2GQ8/A) = [4.2]
| Download | 853.74 | 29.57 | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |
Consensus
[pKd Mean = 3.74] | - | 750
(s=116) | 31
(s=13) | MATLFDPIVLGDLELPNRIVMAPLTRCRADEGRVPNALMAEYYAQRADAGLILSEATAVTPMGVGYPDTPGIWSDDQVRGWSNVTKAVHAAGGRIFLQLWHVGRISDPLYLNGELPVAPSAIAAEGHVSLVRPKRPYVTPRALDTEEIADIVEAYRQGAERAKAAGFDGVEIHGANGYLLDQFLQDSTNKRTDRYGGSIENRARLLLEVTDAAISVWGAQRVGVHLAPRADSHDMGDSNRLETFSHVARELGKRGIAFICAREAQADDSIGVALKKAFGGPYIANEQFTLDSANAILAKGDADAVAFGVPFIANPDLVERLRQGAELNPPRPETFYTGGTEGYLDYPTLA |