| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: EXO_A_9(2GRU) / Model_19(2GRU/A) = [3.6]
| Download | 540.94 | -3.76 | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
| Complex: ADP_B_7(1NVA) / Model_34(1NVA/B) = [3.9]
| Download | 1500.69 | 15.75 | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
| Complex: ADP_C_13(1NVF) / Model_28(1NVF/C) = [4.0]
| Download | 1428.34 | 19.29 | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
| Complex: ADP_A_11(1NVF) / Model_16(1NVF/A) = [4.0]
| Download | 1233.82 | 18.54 | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
| Complex: ADP_B_12(1NVF) / Model_29(1NVF/B) = [4.1]
| Download | 1226.65 | 18.54 | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |
Consensus
[pKd Mean = 3.92] | - | 1186
(s=339) | 13
(s=8) | MPEITVRAKSKTYPVYINEFALEDIREKWTKSLAKFSHVFVLTDGHVAELHKAKLDAVLADLPVVTYYVAPNGEEAKTFRVYEDVMTKMIETGLDRKAVLIAFGGGVIGDLGGFVAATYMRGIPFYQVPTTVLAHDSAVGGKVAINHPLGKNMIGNFYQPEAVIYDTQFFATLPERELRSGFAEMIKHALISDLTLLRALMDTFTEPKDFYTKDLTPFLQRGIEIKANIVAQDETEQGVRAYLNFGHTFGHALEAYGNFGKWLHGEAITYGMIYALTMSETIYGLDFDLAEFKTWLEQLGYDTTFDASVPFSKILENMRHDKKTTFNEISMVLLEEIGKPVIFKADDDLIFETYKRVMRKGGNVI |