| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: 112_D_4(2G2F) / Model_11(2G2F/A) = [3.2]
| Download | 1605.03 | 21.38 | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |
| Complex: ADP_E_5(2G2I) / Model_13(2G2I/A) = [4.0]
| Download | 1475.39 | 22.30 | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |
| Complex: PP1_B_2(1QCF) / Model_33(1QCF/A) = [4.8]
| Download | 586.99 | 29.22 | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |
| Complex: VGH_A_2(2YFX) / Model_48(2YFX/A) = [4.8]
| Download | 1282.24 | 16.41 | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |
| Complex: CHAIN_C_3(2G2I) / Model_13(2G2I/A) = [5.1]
| Download | - | - | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |
Consensus
[pKd Mean = 4.38] | - | 1237
(s=392) | 22
(s=4) | ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR |