| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: IPA_A_6(3TIF) / Model_57(3TIF/B) = [3.8]
| Download | 753.07 | 1.56 | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |
| Complex: ATP_A_9(1XEF) / Model_76(1XEF/A) = [4.8]
| Download | 770.25 | 2.06 | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |
| Complex: ADP_B_2(2FF7) / Model_60(2FF7/A) = [5.0]
| Download | 674.90 | -4.08 | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |
| Complex: 12D_A_2(3B5J) / Model_67(3B5J/A) = [5.1]
| Download | 533.19 | -4.08 | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |
| Complex: 128_A_2(2PMK) / Model_59(2PMK/A) = [5.1]
| Download | 470.35 | -3.58 | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |
Consensus
[pKd Mean = 4.76] | - | 640
(s=119) | -1
(s=2) | MTAMTVPPSLLPLEPFPTAPDTRASTPHIRLHGLGKRYPGGVQALREIDLEIRRGEVFGIIGRSGAGKSSLIRTLNRLERPSEGQVLIDDEDIGGYDGQRLVALRRRIGMIFQHFNLMSAKTVRQNIALPLRVAGVPRARIEERVAGLLQLVGLEEKRDAYPAQLSGGQKQRVGIARALVHQPQILLCDEATSALDPESTQAILALLRDINRRLGLTIVLITHEMAVIREICDRVVVLECGRIVEQGEVWEVFGDPRHAVTRSLLGSLRAALPADLQARLRQAPGAGDPVLLDLQYTGASRRVPDLLAIARAIGQRVDLLHGGIERIQGRALGRLLLQVGAPPGELPGVLAKAALVADKVEVLGHVAHA |