| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: NTC_A_3(1NIS) / Model_10(1NIS/A) = [4.5]
| Download | 388.91 | -2.84 | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
| Complex: ICT_A_4(1C97) / Model_15(1C97/A) = [5.0]
| Download | 325.80 | 1.59 | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
| Complex: ICT_A_3(7ACN) / Model_14(7ACN/A) = [5.1]
| Download | 383.30 | -1.20 | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
| Complex: MIC_A_3(1AMI) / Model_5(1AMI/A) = [5.2]
| Download | 397.27 | -0.54 | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
| Complex: NIC_A_3(8ACN) / Model_9(8ACN/A) = [5.4]
| Download | 356.18 | -1.79 | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |
Consensus
[pKd Mean = 5.04] | - | 370
(s=26) | 0
(s=1) | MNNSLNSKTTLNVSGKSYGYFSLNAASKFLGIDLAKLPCSLKVLLENLLRNEDEVNVRLDDIKTLAGCVKKHVNHEISYKPARVLMQDFTGVPAIVDLASMRSYVKKKGGNPSKINPSVPVDLVIDHSVQVDSYGNTSAFGKNVELEIKRNLERYQFLKWGESSFTNFRVVPPGTGICHQVNLEYLAQVVCNESGVVYPDTLVGTDSHTTMVNGLSVLGWGVGGIEAESVMIGQPISMVIPEIVGFKLMGRLPEGVTATDLVLTITNILRAKGVVGKFVEFYGDGLDYLSLADRATIANMAPEYGATCGFFPIDQKTLDYLSLTGRPEGLIKLVEVYAKEQGLWRSGEELAFFDILELDLSGVEPVMAGPKRPQDKVSLSQVAESFSTSFSVNESKENDKLQDGSVVIAAITSCTNTSNPSVMIAAGLIARKAIKFGIKSKPWVKTSLAPGSRVVTKYLEKSGLQKNLNTLGFNLVGYGCTTCIGNSGPLNKDIEDDIKNKNLTVAAVLSGNRNFEGRIHPLVKANYLASPPLVVVYALAGTVQVDLTKDSICKDKNGNNVYLKDIWPTNNEIEDCVRSVVTCEMFMQKYKDVFSGDEHWQKIKYERGEIYNWDTKSTYIQNPPYFDDLLAGNDKDNVIDIKNARVLAMFGDSVTTDHISPAGNIASNSPAGIYLKNLGIEPQDFNSYGSRRGNHNVMMRGTFANIRIKNEMISNEGGYTKHIPSQETMSIFDTAMRYKEEAVPLVVIAGKEYGAGSSRDWAAKGTLLLGIKAVIAESFERIHRSNLVGMGVLPLIFQGGVTRRIFDSSEIISIKGEIVPSGNLECIIKRKDNSEQSIQLKCCVQTATEVKYLMSGGVLSYILAQSS |