| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_A_5(2Q0H) / Model_63(2Q0H/A) = [3.3]
| Download | 320.72 | 6.85 | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
| Complex: AGS_B_6(3C4J) / Model_60(3C4J/B) = [3.3]
| Download | 853.97 | 10.53 | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
| Complex: IPA_A_6(3TIF) / Model_76(3TIF/B) = [3.4]
| Download | 528.24 | 44.62 | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
| Complex: ATP_A_6(4YMV) / Model_37(4YMV/A) = [3.4]
| Download | 1029.07 | 11.29 | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
| Complex: ATP_J_5(4YMV) / Model_17(4YMV/J) = [3.4]
| Download | 665.22 | 10.38 | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |
Consensus
[pKd Mean = 3.36] | - | 679
(s=246) | 16
(s=14) | VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN |