| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ACY_A_10(4WH3) / Model_4(4WH3/A) = [3.1]
| Download | 505.39 | 10.92 | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |
| Complex: NDG_A_2(4OCJ) / Model_5(4OCJ/A) = [4.6]
| Download | 420.27 | 5.61 | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |
| Complex: NDG_A_2(4OCU) / Model_9(4OCU/A) = [4.7]
| Download | 447.98 | 5.96 | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |
| Complex: A2G_A_2(4OCQ) / Model_3(4OCQ/A) = [4.8]
| Download | 431.69 | 4.42 | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |
| Complex: GN1_A_2(4OCO) / Model_7(4OCO/A) = [5.4]
| Download | 487.44 | 3.00 | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |
Consensus
[pKd Mean = 4.52] | - | 458
(s=32) | 5
(s=2) | MKDTILDALKAAYKLDADNLIANRFGSGHIHKTYKVESSTQSFILQEFNDTVFKYPERISNNLGYLLDNFDPANIPFVLPLPIPNIDGGLFTELDGGLYRLFPFVNGVTRDDIDYKEQASKAAEAFAHFVLVFLPTDSNKLQDTIQDFHHLGWRYSQFDAALKAPAIEIDEETREMIAYYETRKDLLEQYGIYRNKLPLRATHNDTKINNLIFSEDLKKVNAVIDLDTIMAGFVFYDFGDLARTVACTRDESSLDWGKIKIDMVKYEGLLEGFYTVLAGHVTEEELNSLSFGAEMMTLIMGLRFLTDHLQGNTYYQVDYVEQNLHRSKNQAELLTAFMEKREEIKTLETNLKRKFL |