| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ADP_A_2(4JAU) / Model_5(4JAU/A) = [6.0]
| Download | 847.37 | 22.89 | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |
| Complex: ADP_A_2(2C2A) / Model_8(2C2A/A) = [6.6]
| Download | 1287.81 | 23.81 | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |
| Complex: ADP_A_2(2C2A) / Model_40(2C2A/A) = [6.6]
| Download | 1016.73 | 23.81 | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |
| Complex: ANP_A_3(4KP4) / Model_10(4KP4/A) = [7.0]
| Download | 1024.19 | 15.47 | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |
| Complex: ATP_A_4(3SL2) / Model_50(3SL2/A) = [7.7]
| Download | 997.70 | 16.32 | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |
Consensus
[pKd Mean = 6.78] | - | 1034
(s=142) | 20
(s=3) | LKSKLELLFTKISHVMNVWQATFFAAVSWVLALITIQTIYLWSISIRDDSLFLREVSQAIVQLFGTNKYTRIMQSFWMMSLKFLIIFLIACLFFAFFYRLMRQRILKKQLRTINFALNDGKPVDTESFVPEIQELERNIENMRERQKKLMQQEEQAQQARNDLITNVSHDLRTPLTSILGYLSYIHEDRYRDEIELRYYTELVYGKARHLHKLIDDLFSYTRLDSVDYQLKKDELDIVELLRQLVAEYDGRAAERNMQIVEHFDANKLIIGGDGNQIMRLFENLFSNALRYGEGNKQIDVSAKKEDNMAVVRVTNYGEEIPNVDLPYLFERFYKVDKNRTTTGTGLGLAIAKSIVEKHGGIVTAESKKRQTSFIVKLPLI |