| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_A_6(4YMV) / Model_93(4YMV/A) = [3.5]
| Download | 1013.64 | 5.44 | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |
| Complex: ADP_A_5(2Q0H) / Model_79(2Q0H/A) = [3.6]
| Download | 609.16 | 15.79 | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |
| Complex: ADP_B_6(2OLJ) / Model_88(2OLJ/B) = [3.7]
| Download | 1252.86 | 8.93 | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |
| Complex: ADP_B_6(2Q0H) / Model_78(2Q0H/B) = [3.8]
| Download | 724.48 | 4.79 | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |
| Complex: ADP_A_5(2OLJ) / Model_89(2OLJ/A) = [4.0]
| Download | 819.65 | 4.79 | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |
Consensus
[pKd Mean = 3.72] | - | 883
(s=227) | 7
(s=4) | MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSVEGPSPQRGMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI |