| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ATP_C_3(1VCI) / Model_54(1VCI/A) = [3.2]
| Download | 850.34 | 6.94 | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
| Complex: ADP_D_7(4HLU) / Model_70(4HLU/D) = [3.8]
| Download | 607.72 | 13.38 | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
| Complex: ATP_A_6(4YMV) / Model_37(4YMV/A) = [3.8]
| Download | 845.54 | 5.25 | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
| Complex: ADP_B_6(2HYD) / Model_52(2HYD/B) = [4.3]
| Download | 1111.95 | 10.28 | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
| Complex: ADP_C_11(4HLU) / Model_71(4HLU/C) = [4.3]
| Download | 369.95 | 13.38 | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
Consensus
[pKd Mean = 3.88] | - | 757
(s=250) | 9
(s=3) | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |