| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C8_S1 |
| Complex: 3SY_A_2(4RMF) / Model_10(4RMF/A) = [3.3]
| Download | 862.40 | 6.06 | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
| Complex: ASP_A_3(3NEL) / Model_12(3NEL/A) = [3.5]
| Download | 9460.36 | 24.20 | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
| Complex: ASP_A_3(4O2D) / Model_9(4O2D/A) = [3.6]
| Download | 15505.04 | 25.24 | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
| Complex: ASP_B_6(4O2D) / Model_25(4O2D/B) = [3.8]
| Download | 13308.06 | 23.98 | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
| Complex: ATP_B_4(3NEM) / Model_26(3NEM/B) = [4.0]
| Download | 1004.09 | 12.93 | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
Consensus
[pKd Mean = 3.64] | - | 8027
(s=6107) | 18
(s=7) | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVFNPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTPPFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQPEFTQIDLETSFLTKEEIQAITEDMLVDVVKEAKNITIEKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |