Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C8_S1 |
Complex: EDO_A_10(5FTG) / Model_48(5FTG/A) = [3.2]
| Download | 761.84 | 27.86 | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |
Complex: ADP_A_4(3FEG) / Model_2(3FEG/A) = [3.5]
| Download | 715.21 | 17.16 | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |
Complex: ADP_A_7(3LQ3) / Model_1(3LQ3/A) = [3.9]
| Download | 658.29 | 17.16 | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |
Complex: HC7_A_2(3LQ3) / Model_1(3LQ3/A) = [7.0]
| Download | 1056.47 | 16.86 | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |
Complex: HC7_A_2(3FEG) / Model_2(3FEG/A) = [7.1]
| Download | 1253.78 | 14.13 | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |
Consensus [pKd Mean = 4.94] | - | 889 (s=228) | 18 (s=4) | MSATTDRTQRPLLSKSKKLNSLHSKSSPALNFDESHSLSIKRRKVNTRDPAVYFVTIGSKRMLLRIYGIGCEQILDRDKELDWLSRLSRLNIGPSLLGTFDNGRFEEYLESTTLTWHDLRDPFISAQIASRLNQLHSIVDTFPPAENEPLEVWQNIDKWYRSLESEVLSTLKKNPVWAKMIEQSLDLSQLHKDIETCKSILNTLSTPTVFAHNDTQYGNILKIENTDELVVIDFEYAGYNPRGYDIANHFCEWMYDYHSSEPAKMNHKSYPTHKEQVRFLTAYDKHHVTELLREVELWKMACHLFWGLWGLVQASQSEIDFDYFGYSLERLSVFKQELDAKATQIA |