| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C9_S1 |
| Complex: ASP_C_10(4X2S) / Model_37(4X2S/C) = [3.1]
| Download | 3869.82 | 37.55 | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |
| Complex: ASP_B_7(4X2S) / Model_38(4X2S/B) = [3.2]
| Download | 5655.21 | 37.55 | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |
| Complex: ASP_B_5(3KBC) / Model_48(3KBC/B) = [3.6]
| Download | 4923.46 | 37.99 | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |
| Complex: TB1_E_5(2NWW) / Model_36(2NWW/B) = [3.6]
| Download | 603.40 | 26.57 | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |
| Complex: ASP_C_6(3KBC) / Model_47(3KBC/C) = [3.6]
| Download | 5287.91 | 37.99 | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |
Consensus
[pKd Mean = 3.42] | - | 4067
(s=1832) | 35
(s=4) | MGKAKLSLAWQIVIGLALGIAVGAVLNHFSAEKAWWIANVLQPAGDIFIRLIKMIVVPIVISSLVVGIAGVGDAKKLGRIGLKTIIYFEIVTTVAIVVGLLLANLFQPGTGIDMSTLGTVDISQYQKTTQEVQHDHAFIATILNLIPSNVFAAIARGEMLPIIFFSVMFGLGLSSLPNDLREPLVKVFQGVSETMFKVTHMIMKYAPIGVFALIAVTVANFGFASLLPLAKLVILVYVAIVFFALVVLGLIARMFGFSIMRLIRIFKDDLVLAYSTASSETVLPRIIEKMEAYGAPKAISSFVVPTGYSFNLDGSTLYQSIAAIFIAQLYGIDLSIGQQIMLVLTLMVTSKGIAGVPGVSFVVLLATLGSVGIPLEGLAFIAGVDRIMDMARTALNVIGNALAVLVISKWEGMYDAAKGQRYWDSLPHLRQAVGEAKGKQATLE |