| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: TYR_E_5(1X8X) / Model_7(1X8X/A) = [3.1]
| Download | 4625.40 | 32.66 | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |
| Complex: TYB_B_9(1H3F) / Model_21(1H3F/B) = [3.5]
| Download | 656.01 | 28.72 | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |
| Complex: IYR_C_3(1WQ3) / Model_11(1WQ3/A) = [3.6]
| Download | 592.44 | 19.88 | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |
| Complex: ATP_A_5(1H3E) / Model_2(1H3E/A) = [5.0]
| Download | 902.96 | 29.33 | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |
| Complex: YSA_D_4(1VBN) / Model_23(1VBN/B) = [6.8]
| Download | 1183.00 | 31.49 | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |
Consensus
[pKd Mean = 4.40] | - | 1591
(s=1530) | 28
(s=4) | MKSVEEQLALIQRGADEILVEAELVAKLKRGQPLRIKAGFDPTAPDLHLGHTVLINKLRQFQDLGHQVIFLIGDFTGMIGDPSGKSVTRPPLTREQVLENAETYKSQVFKILDPAKTEVAFNSTWMDQLTPADFIRLASQYTVARMLERDDFSKRYASNQPIAIHEFLYPLVQGYDSVALKADVELGGTDQKFNLLMGRELQRAYGQEAQVILTMPLLEGLDGVKKMSKSLGNYIGIQEAPGVMYSKLVSIPDTLMWRYFELLSFRSLDEIDSFRKDVEAGANPRDIKIKLAEEIVARFHGEEAAASAHKSAGNRLKEGELPEDLPEIELSSPEDMPVASVLNKAGLVKNAAAARDLLGAGSVKVDGQVVDRTFMLALGETRVFQAGKKAFARITLKAE |