| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: CIT_A_3(1RQ2) / Model_74(1RQ2/A) = [3.2]
| Download | 1035.76 | 12.14 | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
| Complex: CIT_A_2(2VXY) / Model_73(2VXY/A) = [3.3]
| Download | 663.83 | 9.33 | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
| Complex: CIT_A_3(2Q1X) / Model_7(2Q1X/A) = [4.0]
| Download | 1012.31 | 12.72 | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
| Complex: GDP_B_4(3WGL) / Model_28(3WGL/B) = [4.2]
| Download | 1367.61 | 12.52 | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
| Complex: GDP_A_3(3WGL) / Model_17(3WGL/A) = [4.4]
| Download | 1198.45 | 10.83 | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |
Consensus
[pKd Mean = 3.82] | - | 1055
(s=233) | 11
(s=1) | MSIDLSLPELPVLYPRITVVGVGGAGGNAVNNMIQSNLQGVNFVVANTDAQALEKSLCDKKIQLGINLTKGLGAGALPDVGKGAAEESIDEIMEHIKDSHMLFITAGMGGGTGTGAAPVIAKATREARAGVKDKASKEKKILTVGVVTKPFGFEGVRRMRIAELGLEELQKYVDTLIVIPNQNLFRVANEKTTFSDAFKLADNVLHIGIRGVTDLMVMPGLINLDFADIETVMSEMGKAMIGTGEAEGEDRAISAAEAAISNPLLDNVSMKGAQGILINITGGGDMTLFEVDAAANRVREEVDENANIIFGATFDQAMEGRVRVSVLATGIDCSVTHDNKQETSSVNQDETSEEKKFEWSYSQTLLPEAKQAEQVSEGVKWSSNIYDIPAYLRRKK |