| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: APC_A_4(5ES7) / Model_12(5ES7/A) = [4.3]
| Download | 1292.44 | 16.00 | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |
| Complex: AMP_A_2(3VNS) / Model_26(3VNS/A) = [6.3]
| Download | 836.94 | 10.73 | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |
| Complex: AMP_A_2(4DG8) / Model_58(4DG8/A) = [6.4]
| Download | 776.31 | 22.03 | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |
| Complex: AMP_A_2(4DG8) / Model_19(4DG8/A) = [6.4]
| Download | 772.45 | 22.03 | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |
| Complex: AMP_A_9(1AMU) / Model_2(1AMU/A) = [6.6]
| Download | 909.35 | 12.87 | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |
Consensus
[pKd Mean = 6.00] | - | 917
(s=193) | 16
(s=4) | MKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSPDDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNSNYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQLAQVRADMFRGLHTLYVGGEALSPALMNAVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIPIGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGERIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLREKDGEAQLYTHYVGDHKKTDTDFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR |