| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C7_S1 |
| Complex: ATP_B_4(3NEM) / Model_24(3NEM/B) = [5.9]
| Download | 1522.17 | 5.18 | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |
| Complex: AMO_A_3(3NEM) / Model_7(3NEM/A) = [6.4]
| Download | 840.00 | 11.71 | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |
| Complex: ATP_B_8(2XTI) / Model_27(2XTI/B) = [6.4]
| Download | 1327.98 | 13.47 | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |
| Complex: ATP_B_10(1B8A) / Model_25(1B8A/B) = [7.3]
| Download | 1607.99 | 11.40 | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |
| Complex: NSS_A_4(2XGT) / Model_11(2XGT/A) = [7.5]
| Download | 953.58 | 16.82 | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |
Consensus
[pKd Mean = 6.70] | - | 1250
(s=304) | 11
(s=3) | MKTTINQVYKHVGEEVTIGAWVANKRSSGKIAFLQLRDGTGFIQGVVVKAEVEESIFQTAKSVTQETSLYIKGIVKEDERSPLGYELAVTDIEVIHEATDYPITPKEHGTEFLMDHRHLWLRSKRQHAIMKIRNEIIRATYEFFNNEGFVKVDPPILTGSAPEGTTELFATKYFDEDAYLSQSGQLYMEAAAMALGKVFSFGPTFRAEKSKTKRHLIEFWMIEPEMAFVEFEENLQVQENYVSFIVQSVLKNCKIELNTLGRDTSKLEQIKAPFPRITYDEAIEFLKEKGFDDIEWGDDFGAPHETAIAEHYDKPVFITRYPTSLKPFYMQPASDREDVVLCADLIAPEGYGEIIGGSERIHDMELLESRLKEHGLDSDAYKWYAELRKYGSVPHSGFGLGLERTVAWISGAPHVRETIPFPRLLNRLYP |