| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: MIX_G_7(2FUM) / Model_21(2FUM/C) = [4.9]
| Download | 1723.06 | 7.55 | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |
| Complex: MIX_E_5(2FUM) / Model_2(2FUM/A) = [5.2]
| Download | 1710.43 | 7.93 | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |
| Complex: ADP_A_2(3F61) / Model_4(3F61/A) = [5.3]
| Download | 753.36 | 12.32 | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |
| Complex: AGS_A_2(3ORM) / Model_3(3ORM/A) = [5.4]
| Download | 1148.22 | 13.47 | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |
| Complex: ACP_A_2(1O6Y) / Model_1(1O6Y/A) = [5.5]
| Download | 1358.97 | 17.24 | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |
Consensus
[pKd Mean = 5.26] | - | 1338
(s=364) | 11
(s=3) | MTDVDPHATRRDLVPNIPAELLEAGFDNVEEIGRGGFGVVYRCVQPSLDRAVAVKVLSTDLDRDNLERFLREQRAMGRLSGHPHIVTVLQVGVLAGGRPFIVMPYHAKNSLETLIRRHGPLDWRETLSIGVKLAGALEAAHRVGTLHRDVKPGNILLTDYGEPQLTDFGIARIAGGFETATGVIAGSPAFTAPEVLEGASPTPASDVYSLGATLFCALTGHAAYERRSGERVIAQFLRITSQPIPDLRKQGLPADVAAAIERAMARHPADRPATAADVGEELRDVQRRNGVSVDEMPLPVELGVERRRSPEAHAAHRHTGGGTPTVPTPPTPATKYRPSVPTGSLVTRSRLTDILRAGGRRRLILIHAPSGFGKSTLAAQWREELSRDGAAVAWLTIDNDDNNEVWFLSHLLESIRRVRPTLAESLGHVLEEHGDDAGRYVLTSLIDEIHENDDRIAVVIDDWHRVSDSRTQAALGFLLDNGCHHLQLIVTSWSRAGLPVGRLRIGDELAEIDSAALRFDTDEAAALLNDAGGLRLPRADVQALTTSTDGWAAALRLAALSLRGGGDATQLLRGLSGASDVIHEFLSENVLDTLEPELREFLLVASVTERTCGGLASALAGITNGRAMLEEAEHRGLFLQRTEDDPNWFRFHQMFADFLHRRLERGGSHRVAELHRRASAWFAENGYLHEAVDHALAAGDPARAVDLVEQDETNLPEQSKMTTLLAIVQKLPTSMVVSRARLQLAIAWANILLQRPAPATGALNRFETALGRAELPEATQADLRAEADVLRAVAEVFADRVERVDDLLAEAMSRPDTLPPRVPGTAGNTAALAAICRFEFAEVYPLLDWAAPYQEMMGPFGTVYAQCLRGMAARNRLDIVAALQNFRTAFEVGTAVGAHSHAARLAGSLLAELLYETGDLAGAGRLMDESYLLGSEGGAVDYLAARYVIGARVKAAQGDHEGAADRLSTGGDTAVQLGLPRLAARINNERIRLGIALPAAVAADLLAPRTIPRDNGIATMTAELDEDSAVRLLSAGDSADRDQACQRAGALAAAIDGTRRPLAALQAQILHIETLAATGRESDARNELAPVATKCAELGLSRLLVDAGLA |