| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ATP_P_3(4CRM) / Model_17(4CRM/P) = [3.6]
| Download | 998.97 | 19.06 | MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEKMAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKPVHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYPGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED |
| Complex: ADP_A_7(3BK7) / Model_9(3BK7/A) = [3.8]
| Download | 739.27 | 15.72 | MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEKMAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKPVHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYPGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED |
| Complex: ADP_A_5(1YQT) / Model_7(1YQT/A) = [4.7]
| Download | 611.52 | 4.31 | MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEKMAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKPVHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYPGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED |
| Complex: ATP_A_3(3FVQ) / Model_48(3FVQ/A) = [7.5]
| Download | 859.59 | 6.26 | MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEKMAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKPVHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYPGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED |
Consensus
[pKd Mean = 4.90] | - | 802
(s=143) | 11
(s=6) | MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEKMAAADPGELESIMKTYDRLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYSGAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKPVHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYPGTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED |