| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: NAD_B_7(2BI4) / Model_41(2BI4/B) = [6.5]
| Download | 1529.43 | 28.20 | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |
| Complex: APR_A_7(1RRM) / Model_7(1RRM/A) = [7.0]
| Download | 1548.36 | 18.72 | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |
| Complex: NAD_A_4(2BI4) / Model_2(2BI4/A) = [7.4]
| Download | 1435.42 | 23.44 | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |
| Complex: NAD_A_4(2BL4) / Model_3(2BL4/A) = [7.4]
| Download | 1598.44 | 23.00 | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |
| Complex: NAD_B_7(2BL4) / Model_40(2BL4/B) = [7.5]
| Download | 1396.33 | 20.34 | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |
Consensus
[pKd Mean = 7.16] | - | 1501
(s=74) | 22
(s=3) | MNSFQIKTKVAFGTNSLQVLKEIKNKNVWIICDRFLADGEGLQGLIGQLDASNNVHIFTDVVPDPPISKVAGGVSEAGKIQPQVMIAFGGGSAIDTAKGIYYFAKRLEKINISTFIAIPTTSGTGSEVTAATVITDPTTKIKYPLFLDELIPDMAILDAQLVVTVPPAITANTGMDVLTHAIEAYVSKDASDYTDALGEKSVQLTLRFLTSCYDDGRNLADREKMHNASTMAGMAFNCANLGLNHSIAHQLGAQFHVPHGLANAILLDAVIRFNAFKNRETEQKYAEMARICGIASRSDSNETAVRLLRERIVAMMEHMQMPRTLTDAGVAKEKVYAKMDEIATNALKDACLPTSPTTPTHQELKEILEQII |