| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: NAD_A_3(2HDH) / Model_18(2HDH/A) = [5.3]
| Download | 1699.61 | 23.70 | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |
| Complex: 3HC_C_3(1F12) / Model_4(1F12/A) = [6.2]
| Download | 1967.93 | 29.76 | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |
| Complex: NAD_C_7(4KUG) / Model_27(4KUG/C) = [8.8]
| Download | 1891.36 | 25.74 | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |
| Complex: NAI_B_4(1F17) / Model_22(1F17/B) = [9.0]
| Download | 1833.32 | 25.82 | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |
| Complex: NAI_A_3(1F17) / Model_6(1F17/A) = [9.0]
| Download | 1600.76 | 27.78 | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |
Consensus
[pKd Mean = 7.66] | - | 1798
(s=132) | 26
(s=2) | MTINKVTVLGAGTMGAQLAALFVNAGLKVKLLDIVVDKNDPNLIAKKSYDKITDKKRPLLFDLNLVSHLTYGNFDDDLVNDDADLYIEAVKEDIEIKHAVWQQVLQHAKEDALFATNTSGIPINAIAQAFNEKDQERFFGLHFFNPPRIMKLVELIPTSHTKESIILDVKNFAQNVLGKGVIVVNDVPGFVANRVGTQTMNDIMYRAEQHKLSIVDVDALTGQAIGRPKTGTYALSDLVGLDIAVSVIKGMQQVPEETPYFHDVKIVNTLFDNGALGRKTKQGFYKKDKETKARLVYDVEKQDYVPVSQPQLPILNEFNKDLVHNLDVIFNAQDEAGLFLWETLRNNFYYSAINVPKATDDFRDIDRALVWGFNWKLGPFQLWDAMGYERVKTRMEDELGDLPQWISDLDGGFYKQDETIEYATPVSHFVKDELWDKGDAKLSVTHDDQLLLKLQSKNNVITDEFNDALVDAIDLLENDHYTSMVIYADGNNFSVGANLFLMKKAHEDGLVDDVVAQSIDKLHYSFNRLKYSLKPVVTAVQGRALGGGCELVLYSPIVVAASETYIGLVEAGVGLLPSGGGLAEMADRILRTSHKFDDKQASMTKVLTNIAFAKVSTNAFEARRYGYLRDTDTIIFNTAQRVEVALKRAKYEAETNYIPNPRHQYIALGEDFKALIQGQLDAQRRGHFISDHDYHIALNIATILAGGDLPRNTFINQRYIQSLEKIGFIDLLKSKKSYERIAHMLKTGKPLRN |