| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: NAI_A_3(4YAG) / Model_1(4YAG/A) = [7.9]
| Download | 1334.39 | 22.07 | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
| Complex: NAD_B_13(5HA5) / Model_69(5HA5/B) = [8.2]
| Download | 1508.53 | 24.08 | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
| Complex: NAD_D_25(5HA5) / Model_68(5HA5/D) = [8.3]
| Download | 1424.48 | 24.53 | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
| Complex: NAP_A_5(1X7G) / Model_10(1X7G/A) = [8.4]
| Download | 1660.39 | 23.74 | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
| Complex: NAD_E_5(2D1Y) / Model_105(2D1Y/A) = [8.6]
| Download | 1081.51 | 27.00 | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |
Consensus
[pKd Mean = 8.28] | - | 1401
(s=192) | 24
(s=1) | MLQRGAGQYFAGKRCFVTGAASGIGRATALRLAAQGAELYLTDRDRDGLAQTVCDARALGAQVPEHRVLDVSDYQDVAAFAADIHARHPSMDVVLNIAGVSAWGTVDQLTHDQWSRMVAINLMGPIHVIETLVPPMVAAGRGGHLVNVSSAAGLVGLPWHAAYSASKYGLRGLSEVLRFDLARHGIGVSVVVPGAVKTPLVNTVEIAGVDRDDPRVNRWVERFSGHAVTPEKAADKILAGVTRNRYLVYTSADIRALYAFKRYAWWPYTLVMRRVNVFFTRALRPGP |