Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
Complex: AF_C_7(1UA1) / Model_91(1UA1/A) = [3.4]
| Download | 855.24 | 31.38 | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |
Complex: CHAIN_C_2(1NJW) / Model_85(1NJW/A) = [3.5]
| Download | - | - | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |
Complex: SUC_A_4(1NKB) / Model_74(1NKB/A) = [3.5]
| Download | 1114.16 | 18.59 | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |
Complex: GOL_A_5(4DWI) / Model_67(4DWI/A) = [3.7]
| Download | 590.62 | 19.00 | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |
Complex: TTP_A_9(1NJY) / Model_83(1NJY/A) = [3.7]
| Download | 974.49 | 4.00 | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |
Consensus [pKd Mean = 3.56] | - | 883 (s=192) | 18 (s=9) | MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH |