| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: COA_D_4(2P2J) / Model_24(2P2J/B) = [4.1]
| Download | 1980.78 | 20.73 | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |
| Complex: COA_E_5(2P2F) / Model_2(2P2F/A) = [4.2]
| Download | 2312.66 | 22.27 | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |
| Complex: AMP_D_4(1RY2) / Model_9(1RY2/A) = [5.1]
| Download | 878.63 | 11.50 | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |
| Complex: AMP_D_4(1RY2) / Model_30(1RY2/A) = [5.1]
| Download | 862.42 | 14.74 | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |
| Complex: COA_A_7(1PG4) / Model_8(1PG4/A) = [5.2]
| Download | 2428.28 | 23.90 | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |
Consensus
[pKd Mean = 4.74] | - | 1692
(s=687) | 18
(s=4) | MTYLQQHARSIAEPAAFWAEQARSLAWYQAPANILESLPDGTHRWFADGRLNSAYLALDRQIEEGRGEQTALIYDSPVTGTQDRYSYLRLRDEVARLAGALRALGVGKGDRVIIYMPMVPQAAMAMLACARLGAVHSVVFGGFAPYELALRIDDATPKLVLTASCGLEFDRVIEYKPLVDKALELAIHQPAHVMVWQRPQAPARLHPGRDLDWQDCLAAAEPADPLPVASGDPLYIMYTSGTTGKPKGIVRDNGGHAVAVRYAVRTIYGMQAGDVWWGISDVGWVVGHSLIVYGPLMCGCTTVFYEGKPVRTPDAGAYWRVIEEHRVNSLFCAPTAIRAIRKEDPHGERVKRYDLGSLRHLFLAGEKLDSSTQHWLEEHTGRPVHDHWWQTETGWPVTAPCIGIAGHDLRAGSTNRAVPGYHVQVLDDEGRPLGANRQGAIVIALPLPPGCAQTLWGDHPRYLQAYLGNYPGYYHTGDGGYLDEDGFVYIMGRTDDVINVSGHRLSTGEMEERVAQHQAVAECAVIGVRDELKGHVPLGLVVLKDDAGIAAEQLQRELVALVREQIGALACFQRVVVVKRLPKTRSGKILRAVLRKIADGEDYAAPSTIDDPTILGEIEAALRVRKAG |