protein_id stringlengths 4 4 | n_samples int64 10 69 | ligand_smi stringlengths 13 181 | protein_aa stringlengths 303 5.41k | npkd float64 2.25 9.26 | std float64 0 0.89 | pocket stringlengths 137 750 |
|---|---|---|---|---|---|---|
1d9i | 10 | [NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2C=CCn3c(=O)n(CCS(=O)(=O)c4ccccc4)c(=O)n32)CC1 | ALAASPCYSGLYLEUARGPROLEUPHEGLULYSLYSSERLEUGLUASPLYSTHRGLUARGGLULEULEUGLUSERTYRILEASPILEVALGLUGLYSERASPALAGLUILEGLYMETSERPROTRPGLNVALMETLEUPHEARGLYSSERPROGLNGLULEULEUCYSGLYALASERLEUILESERASPARGTRPVALLEUTHRALAALAHISCYSLEULEUTYRPROPROTRPASPLYSASNPHETHRGLUASNASPLEULEUVALARGILEGLYLYSHISSERARGTHRARGTYRGLUARGASNILEGLULYSILESE... | 6.508279 | 0.033269 | I(16)-V(17)-C(42)-A(55)-H(57)-C(58)-L(60)-Y(60)-P(60)-W(60)-K(60)-Y(94)-N(95)-W(96)-R(97)-E(97)-N(98)-L(99)-D(100)-D(102)-V(138)-G(142)-N(143)-E(146)-S(171)-T(172)-R(173)-I(174)-R(175)-I(176)-M(180)-A(183)-G(188)-D(189)-A(190)-C(191)-E(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-E(217)-G(... |
4ayp | 10 | CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | THRPROGLUASPTRPLYSALALEUALAALAASPVALARGSERGLUPHEGLNTRPALATRPGLNGLYTYRVALALALYSALATRPGLYLYSASPGLUILEASNPROVALSERGLYTHRSERARGSERPHEPHEILEGLUGLYHISASPLEUGLYLEUSERLEUVALGLUALALEUASPTHRLEUTRPILEMETGLYLEUASPALAGLUPHEGLNALAGLYVALASPTRPVALLYSALAASNLEUSERPHEASPVALASPGLYASNALAGLNVALPHEGLUTHRASNILEARGLEUVALGLYGLYLEULEUSERALAHISLE... | 4.134693 | 0.292071 | F(71)-L(80)-E(84)-Q(118)-F(120)-E(121)-I(124)-R(125)-R(167)-Y(168)-T(181)-N(182)-L(183)-A(184)-E(185)-I(186)-T(188)-A(228)-S(243)-I(244)-D(245)-V(246)-Y(247)-A(248)-D(249)-S(250)-F(251)-E(253)-Y(254)-S(308)-E(309)-L(310)-A(311)-Y(313)-E(346)-G(361)-L(362)-R(363)-P(364)-E(365)-Y(366)-D(368)-P(421)-G(422)-Y(423)-W(424)-S... |
6mji | 58 | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](OCC2CC2)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | LYSTHRGLNVALGLUGLNSERPROGLNSERLEUVALVALARGGLNGLYGLUASNCYSVALLEUGLNCYSASNTYRSERVALTHRPROASPASNHISLEUARGTRPPHELYSGLNASPTHRGLYLYSGLYLEUVALSERLEUTHRVALLEUVALASPGLNLYSASPLYSTHRSERASNGLYARGTYRSERALATHRLEUASPLYSASPALALYSHISSERTHRLEUHISILETHRALATHRLEULEUASPASPTHRALATHRTYRILECYSVALVALGLYASPARGGLYSERALALEUGLYARGLEUHISPHEGLYALAGL... | 6.089807 | 0.415364 | F(10)-R(11)-C(12)-L(13)-Q(14)-M(15)-T(26)-D(27)-S(28)-V(29)-V(30)-W(31)-T(37)-H(38)-R(39)-W(40)-I(47)-S(48)-F(49)-S(54)-L(58)-W(63)-L(66)-Q(67)-H(68)-M(69)-F(70)-Q(71)-V(72)-Y(73)-R(74)-V(75)-S(76)-F(77)-T(78)-R(79)-D(80)-I(81)-Q(82)-E(83)-L(84)-V(85)-K(86)-M(87)-M(88)-E(92)-D(93)-Y(94)-I(96)-E(97)-I(98)-Q(99)-L(100)-S... |
1tpw | 33 | O=C(COP(=O)([O-])[O-])NO | ARGLYSPHEPHEVALGLYGLYASNTRPLYSMETASNGLYASPLYSLYSSERLEUGLYGLULEUILEHISTHRLEUASNGLYALALYSLEUSERALAASPTHRGLUVALVALCYSGLYALAPROSERILETYRLEUASPPHEALAARGGLNLYSLEUASPALALYSILEGLYVALALAALAGLNASNCYSTYRLYSVALPROLYSGLYALAPHETHRGLYGLUILESERPROALAMETILELYSASPILEGLYALAALATRPVALILELEUGLYHISPROGLUARGARGHISVALPHEGLYGLUSERASPGLULEUILEGL... | 4.698454 | 0.126423 | G(9)-G(10)-N(11)-W(12)-K(13)-N(15)-G(42)-Q(64)-I(92)-H(95)-P(96)-E(97)-I(124)-C(126)-A(163)-Y(164)-E(165)-P(166)-V(167)-W(168)-A(169)-I(170)-G(171)-T(172)-G(173)-K(174)-T(175)-I(207)-Y(208)-G(209)-G(210)-S(211)-V(212)-T(213)-N(216)-F(229)-L(230)-V(231)-G(232)-G(233)-A(234)-S(235)-L(236)-K(237)-I(243)-A(73)-T(75) |
4aba | 69 | [NH3+]Cc1csc(-c2cccs2)n1 | ILEVALGLYGLYTYRTHRCYSGLYALAASNTHRVALPROTYRGLNVALSERLEUASNSERGLYTYRHISPHECYSGLYGLYSERLEUILEASNSERGLNTRPVALVALSERALAALAHISCYSTYRLYSSERGLYILEGLNVALARGLEUGLYGLUASPASNILEASNVALVALGLUGLYASNGLUGLNPHEILESERALASERLYSSERILEVALHISPROSERTYRASNSERASNTHRLEUASNASNASPILEMETLEUILELYSLEULYSSERALAALASERLEUASNSERARGVALALASERILESERLEUPROTH... | 5.630751 | 0.124492 | I(16)-V(17)-C(42)-H(57)-L(99)-I(138)-G(142)-N(143)-S(146)-Y(151)-Y(172)-A(183)-K(188)-D(189)-S(190)-C(191)-Q(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-S(217)-G(219)-C(220)-A(221)-Q(221)-K(224)-P(225)-G(226)-V(227)-Y(228) |
6bs4 | 10 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])S)[C@@H](O)[C@H]1O | SERVALGLYTRPPROSERARGLEUSERGLYVALARGLEUHISLEUVALTHRGLYLYSGLYGLYTHRGLYLYSSERTHRILEALAALAALALEUALALEUTHRLEUALAALAGLYGLYARGLYSVALLEULEUVALGLUVALGLUGLYARGGLNGLYILEALAGLNLEUPHEASPVALPROPROLEUPROTYRGLNGLULEULYSILEALATHRALAGLUARGGLYGLYGLNVALASNALALEUALAILEASPILEGLUALAALAPHELEUGLUTYRLEUASPMETPHETYRASNLEUGLYILEALAGLYARGALAMETAR... | 5.951361 | 0.004545 | V(26)-T(27)-G(28)-K(29)-G(30)-G(31)-T(32)-G(33)-K(34)-S(35)-T(36)-I(37)-A(38)-A(39)-E(56)-E(58)-R(60)-G(62)-Q(65)-L(66)-D(162)-A(163)-P(164)-P(165)-T(166)-R(168)-V(209)-L(211)-V(239)-N(240)-R(241)-N(242)-L(315)-P(316)-T(317)-V(318)-S(319)-D(320)-G(321)-V(322)-D(323)-S(326)-L(327)-L(330)-S(333)-S(158)-R(159)-N(160)-E(25... |
4kzq | 10 | O=c1cc(-c2ccc(O)cc2)oc2ccccc12 | GLYTHRILELEUILEASPLEUSERPROASPASPLYSGLUPHEGLNSERVALGLUGLUGLUMETGLNSERTHRVALARGGLUHISARGASPGLYGLYHISALAGLYGLYILEPHEASNARGTYRASNILELEULYSILEGLNLYSVALCYSASNLYSLYSLEUTRPGLUARGTYRTHRHISARGARGLYSGLUVALSERGLUGLUASNHISASNHISALAASNGLUARGMETLEUPHEHISGLYSERPROPHEVALASNALAILEILEHISLYSGLYPHEASPGLUARGHISALATYRILEGLYGLYMETPHEGLYALAGL... | 6.352056 | 0.015698 | R(977)-H(979)-L(1029)-F(1030)-H(1031)-G(1032)-S(1033)-P(1034)-F(1035)-V(1036)-I(1039)-F(1044)-R(1047)-H(1048)-A(1049)-Y(1050)-I(1051)-G(1052)-G(1053)-M(1054)-F(1055)-G(1058)-I(1059)-Y(1060)-F(1061)-A(1062)-E(1063)-N(1064)-S(1065)-S(1066)-K(1067)-S(1068)-N(1069)-Q(1070)-Y(1071)-V(1072)-Y(1073)-G(1074)-I(1075)-G(1076)-G(... |
2xdk | 10 | Nc1nccc(-c2cccnc2)n1 | PROMETGLUGLUGLUGLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSAL... | 6.85343 | 0.049367 | E(47)-L(48)-I(49)-S(50)-N(51)-S(52)-S(53)-D(54)-A(55)-L(56)-K(58)-I(78)-I(91)-V(92)-D(93)-T(94)-G(95)-I(96)-G(97)-M(98)-T(99)-D(102)-L(103)-N(105)-N(106)-L(107)-G(108)-K(112)-G(135)-V(136)-G(137)-F(138)-Y(139)-V(150)-I(151)-T(152)-K(153)-H(154)-W(162)-G(183)-T(184)-K(185)-V(186) |
1xhy | 10 | CC(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-] | LYSTHRVALVALVALTHRTHRILELEUGLUSERPROTYRVALMETMETLYSLYSASNHISGLUMETLEUGLUGLYASNGLUARGTYRGLUGLYTYRCYSVALASPLEUALAALAGLUILEALALYSHISCYSGLYPHELYSTYRLYSLEUTHRILEVALGLYASPGLYLYSTYRGLYALAARGASPALAASPTHRLYSILETRPASNGLYMETVALGLYGLULEUVALTYRGLYLYSALAASPILEALAILEALAPROLEUTHRILETHRLEUVALARGGLUGLUVALILEASPPHESERLYSPROPHEMETSERLEUGL... | 6.366635 | 0.010117 | I(8)-L(9)-E(10)-S(11)-Y(13)-G(56)-K(57)-Y(58)-G(59)-A(60)-M(71)-V(72)-A(85)-P(86)-L(87)-T(88)-I(89)-T(90)-R(93)-F(99)-L(106)-G(107)-I(108)-S(109)-T(134)-L(135)-D(136)-S(137)-G(138)-S(139)-T(140)-K(141)-E(142)-F(143)-F(144)-V(168)-R(169)-T(170)-T(171)-A(172)-F(187)-L(188)-L(189)-E(190)-S(191)-T(192)-M(193)-K(215)-G(216)... |
1zhy | 20 | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | METASPPROSERGLNTYRALASERSERSERSERTRPTHRSERPHELEULYSSERILEALASERPHEASNGLYASPLEUSERSERLEUSERALAPROPROPHEILELEUSERPROILESERLEUTHRGLUPHESERGLNTYRTRPALAGLUHISPROGLULEUPHELEUGLUPROSERPHEILEASNASPASPASNTYRLYSGLUHISCYSLEUILEASPPROGLUVALGLUSERPROGLULEUALAARGMETLEUALAVALTHRLYSTRPPHEILESERTHRLEULYSSERGLNTYRCYSSERARGASNGLUSERLEUGL... | 8.218413 | 0.06448 | W(10)-F(13)-L(14)-I(17)-F(20)-L(24)-S(25)-L(27)-A(29)-P(30)-F(32)-I(33)-L(34)-S(35)-L(39)-E(41)-F(42)-S(43)-Q(44)-Y(45)-W(46)-F(89)-T(92)-L(93)-S(95)-Q(96)-Y(97)-C(98)-S(99)-R(100)-S(106)-E(107)-K(108)-K(109)-P(110)-N(112)-P(113)-P(146)-T(148)-F(150)-Y(164)-N(165)-Q(166)-I(167)-K(168)-A(169)-F(171)-L(177)-T(178)-V(179)... |
5f8y | 10 | [NH3+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O | THRTHRPHELEUILELYSHISLYSALASERGLYLYSPHELEUHISPROTYRGLYGLYSERSERASNPROALAASNASNTHRLYSLEUVALLEUHISSERASPILEHISGLUARGMETTYRPHEGLNPHEASPVALVALASPGLUARGTRPGLYTYRILELYSHISVALALASERGLYLYSILEVALHISPROTYRGLYGLYGLNALAASNPROPROASNGLUTHRASNMETVALLEUHISGLNASPARGHISASPARGALALEUPHEALAMETASPPHEPHEASNASPASNILEMETHISLYSGLYGLYLYSTYRILEHI... | 4.368259 | 0.074618 | N(26)-N(27)-T(28)-I(62)-V(63)-H(64)-P(65)-Y(66)-G(67)-G(68)-Q(69)-T(76)-N(77)-M(78)-V(79)-L(80)-H(81)-Q(82)-D(83)-R(84)-H(85)-R(87)-A(88) |
6d3q | 10 | O=C1[C@@H](P(=O)([O-])[O-])C[C@H](O)N1O | GLNGLNMETGLYARGGLYSERMETSERLYSILEVALLYSILEILEGLYARGGLUILEILEASPSERARGGLYASNPROTHRVALGLUALAGLUVALHISLEUGLUGLYGLYPHEVALGLYMETALAALAALAPROSERGLYALASERTHRGLYSERARGGLUALALEUGLULEUARGASPGLYASPLYSSERARGPHELEUGLYLYSGLYVALTHRLYSALAVALALAALAVALASNGLYPROILEALAGLNALALEUILEGLYLYSASPALALYSASPGLNALAGLYILEASPLYSILEMETILEASPLEUASPGLYTH... | 4.701723 | 0.892214 | R(15)-S(38)-G(39)-A(40)-S(41)-T(42)-G(43)-E(46)-M(149)-N(151)-N(154)-H(158)-Q(166)-E(167)-M(169)-D(207)-E(208)-D(245)-C(246)-A(247)-E(250)-E(289)-D(290)-V(314)-D(316)-D(317)-L(339)-K(341)-N(343)-Q(344)-S(368)-H(369)-R(370)-S(371)-G(372)-E(373)-K(392)-T(393)-G(394)-R(401) |
2pou | 20 | NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 | HISHISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVA... | 2.249414 | 0.294096 | W(5)-Y(7)-W(16)-S(29)-P(30)-L(60)-N(62)-H(64)-A(65)-F(66)-N(67)-V(68)-E(69)-I(91)-Q(92)-F(93)-H(94)-F(95)-H(96)-E(106)-H(107)-E(117)-L(118)-H(119)-L(120)-V(121)-H(122)-W(123)-F(131)-A(134)-V(135)-L(141)-A(142)-V(143)-L(144)-G(145)-G(196)-S(197)-L(198)-T(199)-T(200)-P(201)-P(202)-L(203)-L(204)-C(206)-V(207)-T(208)-W(209... |
4ezr | 10 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)[O-])C(C)C | VALLEULEULEUASPVALTHRPROLEUSERLEUGLYILEGLUTHRMETGLYGLYVALMETTHRTHRLEUILEALALYSASNTHRTHRILEPROTHRLYSHISSERGLNVALPHESERTHRALAGLUASPASNGLNSERALAVALTHRILEHISVALLEUGLNGLYGLUARGLYSARGALAALAASPASNLYSSERLEUGLYGLNPHEASNLEUASPGLYILEASNPROALAPROARGGLYMETPROGLNILEGLUVALTHRPHEASPILEASPALAASPGLYILELEUHISVALSERALALYSASPLYSASNSERGLYLY... | 6.908973 | 0.132494 | I(401)-E(402)-T(403)-M(404)-G(405)-G(406)-V(407)-M(408)-T(409)-T(410)-L(411)-S(423)-Q(424)-V(425)-F(426)-S(427)-T(428)-A(429)-E(430)-N(432)-Q(433)-S(434)-A(435)-V(436)-T(437)-I(438)-H(439)-V(440)-L(441)-K(446)-A(448)-S(453)-Q(456)-F(457)-N(458)-L(459)-D(460)-I(462)-R(467)-G(468)-M(469)-P(470)-Q(471)-I(472)-V(474)-A(488... |
5aoj | 10 | O=C([O-])c1cc(I)c(-n2cccc2)c(I)c1O | SERVALPROSERGLNLYSTHRTYRGLNGLYSERTYRGLYPHEARGLEUGLYPHELEUHISSERGLYTHRALALYSSERVALTHRCYSTHRTYRSERPROALALEUASNLYSLEUPHECYSGLNLEUALALYSTHRCYSPROVALGLNLEUTRPVALASPSERTHRPROPROPROGLYTHRARGVALARGALAMETALAILETYRLYSGLNSERGLNHISMETTHRGLUVALVALARGARGCYSPROHISHISGLUARGCYSSERASPSERASPGLYLEUALAPROPROGLNHISLEUILEARGVALGLUGLYASNLEUAR... | 6.508631 | 0.017701 | Y(107)-F(109)-R(110)-Q(144)-L(145)-W(146)-V(147)-D(148)-S(149)-T(150)-P(151)-P(152)-P(153)-G(154)-T(155)-R(156)-V(157)-V(218)-P(219)-C(220)-E(221)-P(222)-P(223)-S(227)-D(228)-C(229)-T(230)-T(231)-I(232)-T(256)-L(257)-E(258) |
4lar | 53 | C[C@H]([NH3+])Cc1ccccc1 | GLUVALGLNLEUGLNGLUSERGLYPROSERLEUVALLYSPROSERGLNTHRLEUSERLEUTHRCYSSERVALTHRGLYASPSERVALTHRSERGLYTYRTRPSERTRPILEARGGLNPHEPROGLYASNLYSLEUASPTYRMETGLYTYRILESERTYRARGGLYSERTHRTYRTYRASNPROSERLEULYSSERARGILESERILETHRARGASPTHRSERLYSASNGLNVALTYRLEUGLNLEULYSSERVALSERSERGLUASPTHRALATHRTYRTYRCYSSERTYRPHEASPSERASPASPTYRALAMETGLUTY... | 5.362756 | 0.097067 | G(32)-Y(33)-W(34)-S(35)-W(36)-I(37)-Y(47)-G(49)-Y(50)-I(51)-S(52)-Y(58)-S(93)-Y(94)-F(95)-D(96)-S(97)-Y(100)-M(100)-E(101)-Y(102)-W(103)-H(32)-Y(34)-Y(36)-L(46)-Y(49)-H(89)-Q(90)-W(91)-S(92)-F(94)-F(96)-T(97)-F(98) |
4ou3 | 10 | NC(=[NH2+])NCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CSSC[C@@H](C(=O)NCC(=O)[O-])NC1=O | GLNSERLYSPROTRPASNARGTYRARGLEUPROTHRTHRLEULEUPROASPSERTYRASNVALTHRLEUARGPROTYRLEUTHRPROASNALAASPGLYLEUTYRILEPHELYSGLYLYSSERILEVALARGPHELEUCYSGLNGLUPROTHRASPVALILEILEILEHISSERLYSLYSLEUASNTYRTHRTHRGLNGLYHISMETVALVALLEUARGGLYVALGLYASPSERGLNVALPROGLUILEASPARGTHRGLULEUVALGLULEUTHRGLUTYRLEUVALVALHISLEULYSGLYSERLEUGLNPROGLYHI... | 5.937971 | 0.368046 | L(185)-Q(206)-M(207)-Q(208)-S(209)-T(210)-D(211)-Y(273)-L(274)-D(343)-F(344)-N(345)-A(346)-G(347)-A(348)-M(349)-E(350)-N(351)-T(356)-Y(357)-R(358)-A(361)-R(376)-T(379)-V(380)-I(381)-A(382)-H(383)-E(384)-H(387)-N(392)-W(399)-L(402)-N(405)-E(406)-A(409)-S(410)-E(413)-D(434)-T(459)-P(460)-A(461)-Q(462)-I(463)-S(464)-E(465... |
1br6 | 10 | Nc1nc2ncc(CNc3ccc(C(=O)[O-])cc3)nc2c(=O)[nH]1 | METILEPHEPROLYSGLNTYRPROILEILEASNPHETHRTHRALAGLYALATHRVALGLNSERTYRTHRASNPHEILEARGALAVALARGGLYARGLEUTHRTHRGLYALAASPVALARGHISGLUILEPROVALLEUPROASNARGVALGLYLEUPROILEASNGLNARGPHEILELEUVALGLULEUSERASNHISALAGLULEUSERVALTHRLEUALALEUASPVALTHRASNALATYRVALVALGLYTYRARGALAGLYASNSERALATYRPHEPHEHISPROASPASNGLNGLUASPALAGLUALAILETHRHI... | 6.796157 | 0.149051 | L(45)-R(48)-R(56)-L(72)-A(73)-L(74)-D(75)-T(77)-N(78)-A(79)-Y(80)-V(81)-V(82)-G(83)-F(93)-D(96)-N(97)-D(100)-G(120)-G(121)-N(122)-Y(123)-D(124)-R(125)-L(126)-E(127)-R(134)-F(168)-I(169)-C(171)-I(172)-Q(173)-I(175)-S(176)-E(177)-A(179)-R(180)-F(181)-I(205)-L(207)-E(208)-N(209)-S(210)-W(211)-G(212)-R(213)-V(256)-R(258) |
6mll | 10 | O=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 | SERHISMETLEUTHRASNLEUVALALAGLUPROPHEALALYSLEUGLUGLNASPPHEGLYGLYSERILEGLYVALTYRALAMETASPTHRGLYSERGLYALATHRVALSERTYRARGALAGLUGLUARGPHEPROLEUCYSSERSERPHELYSGLYPHELEUALAALAALAVALLEUALAARGSERGLNGLNGLNALAGLYLEULEUASPTHRPROILEARGTYRGLYLYSASNALALEUVALPROTRPSERPROILESERGLULYSTYRLEUTHRTHRGLYMETTHRVALALAGLULEUSERALAALAALAVALGLNTY... | 5.398753 | 0.1285 | L(68)-C(69)-S(70)-S(71)-F(72)-K(73)-V(103)-P(104)-W(105)-S(106)-A(126)-V(127)-Q(128)-Y(129)-S(130)-D(131)-N(132)-W(165)-E(166)-L(167)-E(168)-L(169)-N(170)-S(171)-A(172)-N(214)-T(215)-T(216)-G(217)-R(220)-D(233)-K(234)-T(235)-G(236)-T(237)-C(238)-G(239)-V(240)-T(243)-A(244)-N(245)-D(246)-K(270)-H(274)-E(276) |
2xbx | 10 | CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 | ILEVALGLYGLYGLNGLUCYSLYSASPGLYGLUCYSPROTRPGLNALALEULEUILEASNGLUGLUASNGLUGLYPHECYSGLYGLYTHRILELEUSERGLUPHETYRILELEUTHRALAALAHISCYSLEUTYRGLNALALYSARGPHELYSVALARGVALGLYASPARGASNTHRGLUGLNGLUGLUGLYGLYGLUALAVALHISGLUVALGLUVALVALILELYSHISASNARGPHETHRLYSGLUTHRTYRASPPHEASPILEALAVALLEUARGLEULYSTHRPROILETHRPHEARGMETASNVALALAPROAL... | 8.008693 | 0.1304 | I(16)-V(17)-H(57)-Q(61)-F(94)-T(95)-K(96)-E(97)-T(98)-Y(99)-D(100)-D(102)-V(138)-R(143)-H(145)-E(147)-K(148)-G(149)-L(158)-V(160)-S(172)-S(173)-F(174)-I(175)-I(176)-T(177)-M(180)-F(181)-C(182)-A(183)-G(184)-E(188)-D(189)-A(190)-C(191)-Q(192)-G(193)-D(194)-S(195)-G(196)-G(197)-H(199)-I(212)-V(213)-S(214)-W(215)-G(216)-E... |
4tu4 | 18 | Cc1noc(C)c1-c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)[O-])c1 | SERMETGLNGLUGLUASPTHRPHEARGGLULEUARGILEPHELEUARGASNVALTHRHISARGLEUALAILEASPLYSARGPHEARGVALPHETHRLYSPROVALASPPROASPGLUVALPROASPTYRVALTHRVALILELYSGLNPROMETASPLEUSERSERVALILESERLYSILEASPLEUHISLYSTYRLEUTHRVALLYSASPTYRLEUARGASPILEASPLEUILECYSSERASNALALEUGLUTYRASNPROASPARGASPPROGLYASPARGLEUILEARGHISARGALACYSALALEUARGASPTHRAL... | 6.118829 | 0.226655 | F(1006)-R(1007)-V(1008)-F(1009)-T(1010)-K(1011)-P(1012)-V(1013)-D(1014)-P(1015)-D(1016)-E(1017)-V(1018)-D(1020)-Y(1021)-I(1025)-M(1029)-D(1030)-L(1031)-S(1032)-I(1056)-N(1059)-A(1060)-L(1061)-E(1062)-Y(1063)-N(1064)-G(1070)-D(1071)-L(1073)-I(1074)-R(1077) |
4b7p | 15 | C[N@H+]1CC[C@H](NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1 | METGLUGLUGLUGLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPH... | 7.526564 | 0.347619 | I(26)-F(44)-L(45)-E(47)-L(48)-I(49)-S(50)-N(51)-S(52)-S(53)-D(54)-A(55)-L(56)-D(57)-K(58)-I(59)-E(62)-I(78)-I(91)-V(92)-D(93)-T(94)-G(95)-I(96)-G(97)-M(98)-T(99)-A(101)-D(102)-L(103)-N(105)-N(106)-L(107)-G(108)-I(110)-K(112)-G(132)-F(134)-G(135)-V(136)-G(137)-F(138)-Y(139)-S(140)-A(141)-V(148)-V(150)-I(151)-T(152)-K(15... |
1df8 | 16 | O=C([O-])CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 | GLYILETHRGLYTHRTRPTYRASNGLNLEUGLYSERTHRPHEILEVALTHRALAGLYALAASPGLYALALEUTHRGLYTHRTYRGLUALAALAVALGLYASNALAGLUSERARGTYRVALLEUTHRGLYARGTYRASPSERALAPROALATHRASPGLYSERGLYTHRALALEUGLYTRPTHRVALALATRPLYSASNASNTYRARGASNALAHISSERALATHRTHRTRPSERGLYGLNTYRVALGLYGLYALAGLUALAARGILEASNTHRGLNTRPLEULEUTHRSERGLYTHRTHRGLUALAASNALATRPLYSSE... | 7.162473 | 0.067691 | Y(22)-N(23)-Q(24)-L(25)-G(26)-S(27)-T(28)-F(29)-Y(43)-E(44)-A(45)-A(46)-V(47)-G(48)-N(49)-A(50)-E(51)-Y(54)-W(75)-V(77)-A(78)-W(79)-K(80)-R(84)-N(85)-A(86)-H(87)-S(88)-A(89)-T(90)-T(91)-W(92)-T(106)-Q(107)-W(108)-L(109)-L(110)-T(111)-S(112)-G(113)-L(124)-V(125)-G(126)-H(127)-D(128)-T(129)-F(130)-W(120)-K(121) |
1yvm | 51 | c1ccc2[nH]c(-c3cscn3)nc2c1 | ALAILESERILELYSTHRPROGLUASPILEGLULYSMETARGVALALAGLYARGLEUALAALAGLUVALLEUGLUMETILEGLUPROTYRVALLYSPROGLYVALSERTHRGLYGLULEUASPARGILECYSASNASPTYRILEVALASNGLUGLNHISALAVALSERALACYSLEUGLYTYRHISGLYTYRPROLYSSERVALCYSILESERILEASNGLUVALVALCYSHISGLYILEPROASPASPALALYSLEULEULYSASPGLYASPILEVALASNILEASPVALTHRVALILELYSASPGLYPHEHISGLYAS... | 5.537789 | 0.358648 | S(57)-A(58)-C(59)-L(60)-G(61)-Y(62)-H(63)-G(64)-Y(65)-P(66)-K(67)-S(68)-V(69)-C(70)-C(78)-H(79)-G(80)-I(81)-P(82)-D(97)-V(98)-T(99)-D(108)-E(167)-Y(168)-C(169)-G(170)-H(171)-F(177)-H(178)-Q(182)-H(185)-T(202)-E(204)-M(206)-W(221)-Q(233)-E(235) |
4ezz | 10 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)[O-] | VALLEULEULEUASPVALTHRPROLEUSERLEUGLYILEGLUTHRMETGLYGLYVALMETTHRTHRLEUILEALALYSASNTHRTHRILEPROTHRLYSHISSERGLNVALPHESERTHRALAGLUASPASNGLNSERALAVALTHRILEHISVALLEUGLNGLYGLUARGLYSARGALAALAASPASNLYSSERLEUGLYGLNPHEASNLEUASPGLYILEASNPROALAPROARGGLYMETPROGLNILEGLUVALTHRPHEASPILEASPALAASPGLYILELEUHISVALSERALALYSASPLYSASNSERGLYLY... | 6.867343 | 0.12967 | I(401)-E(402)-T(403)-M(404)-G(405)-G(406)-V(407)-M(408)-T(409)-T(410)-L(411)-Q(424)-V(425)-F(426)-S(427)-T(428)-A(429)-E(430)-D(431)-N(432)-Q(433)-S(434)-A(435)-V(436)-T(437)-I(438)-H(439)-L(441)-A(448)-Q(456)-F(457)-N(458)-L(459)-D(460)-G(461)-I(462)-R(467)-G(468)-M(469)-P(470)-Q(471)-I(472)-E(473)-V(474)-F(476)-V(486... |
1uwf | 19 | CCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | PHEALACYSLYSTHRALAASNGLYTHRALAILEPROILEGLYGLYGLYSERALAASNVALTYRVALASNLEUALAPROVALVALASNVALGLYGLNASNLEUVALVALASPLEUSERTHRGLNILEPHECYSHISASNASPTYRPROGLUTHRILETHRASPTYRVALTHRLEUGLNARGGLYSERALATYRGLYGLYVALLEUSERASNPHESERGLYTHRVALLYSTYRSERGLYSERSERTYRPROPHEPROTHRTHRSERGLUTHRPROARGVALVALTYRASNSERARGTHRASPLYSPROTRPPROVALALALE... | 5.002907 | 0.285831 | F(1)-A(2)-P(12)-I(13)-G(14)-G(15)-C(44)-H(45)-N(46)-D(47)-Y(48)-P(49)-E(50)-T(51)-I(52)-T(53)-D(54)-Y(55)-Y(95)-N(96)-S(97)-R(98)-Q(133)-T(134)-N(135)-N(136)-Y(137)-N(138)-S(139)-D(140)-D(141)-F(142)-F(144) |
5e73 | 10 | CC(=O)N(c1cc(O)ccc1C)c1cn(C(C)=O)c2ccccc12 | SERMETSERVALLYSLYSPROLYSARGASPASPSERLYSASPLEUALALEUCYSSERMETILELEUTHRGLUMETGLUTHRHISGLUASPALATRPPROPHELEULEUPROVALASNLEULYSLEUVALPROGLYTYRLYSLYSVALILELYSLYSPROMETASPPHESERTHRILEARGGLULYSLEUSERSERGLYGLNTYRPROASNLEUGLUTHRPHEALALEUASPVALARGLEUVALPHEASPASNCYSGLUTHRPHEASNGLUASPASPSERASPILEGLYARGALAGLYHISASNMETARGLYSTYRPHEGL... | 6.703485 | 0.168994 | A(1886)-W(1887)-P(1888)-F(1889)-L(1890)-L(1891)-P(1892)-V(1893)-N(1894)-L(1895)-K(1896)-L(1897)-V(1898)-P(1899)-Y(1901)-I(1905)-M(1909)-D(1910)-F(1911)-S(1912)-V(1936)-F(1937)-N(1939)-C(1940)-E(1941)-T(1942)-F(1943)-N(1944)-S(1948)-I(1950)-G(1951)-G(1954) |
4pvy | 12 | CC(C)Oc1ccc(-c2cncc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c2)cc1 | ASPVALTYRALAGLNGLULYSGLNASPPHEVALGLNHISPHESERGLNILEVALARGVALLEUTHRGLUASPGLUMETGLYHISPROGLUILEGLYASPALAILEALAARGLEULYSGLUVALLEUGLUTYRASNALAILEGLYGLYLYSTYRASNARGGLYLEUTHRVALVALVALALAPHEARGGLULEUVALGLUPROARGLYSGLNASPALAASPSERLEUGLNARGALATRPTHRVALGLYTRPCYSVALGLULEULEUGLNALAPHEPHELEUVALALAASPASPILEMETASPSERSERLEUTHRARGARGGL... | 4.303816 | 0.295049 | F(98)-L(126)-D(127)-A(128)-I(129)-N(130)-D(131)-A(132)-N(133)-L(134)-E(136)-A(137)-R(60)-L(95)-Q(96)-A(97)-F(98)-F(99)-L(100)-V(101)-A(102)-D(103)-D(104)-I(105)-M(106)-D(107)-S(109)-T(111)-R(112)-R(113)-A(132)-N(133)-E(136)-S(163)-S(164)-Y(165)-Q(166)-T(167)-E(168)-I(169)-G(170)-Q(171)-T(172)-D(174)-L(175)-Y(193)-I(196... |
1nc1 | 24 | CSC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O | PHESERMETLYSILEGLYILEILEGLYALAMETGLUGLUGLUVALTHRLEULEUARGASPLYSILEGLUASNARGGLNTHRILESERLEUGLYGLYCYSGLUILETYRTHRGLYGLNLEUASNGLYTHRGLUVALALALEULEULYSSERGLYILEGLYLYSVALALAALAALALEUGLYALATHRLEULEULEUGLUHISCYSLYSPROASPVALILEILEASNTHRGLYSERALAGLYGLYLEUALAPROTHRLEULYSVALGLYASPILEVALVALSERASPGLUALAARGTYRHISASPALAASPVALTHRALAPH... | 6.931266 | 0.141142 | G(7)-A(8)-M(9)-E(11)-E(12)-S(48)-G(49)-I(50)-G(51)-K(52)-A(54)-A(55)-N(73)-T(74)-G(75)-S(76)-A(77)-G(78)-G(79)-L(80)-H(98)-I(145)-V(146)-S(147)-G(148)-D(149)-A(150)-F(151)-I(152)-N(153)-G(154)-L(158)-I(161)-A(170)-V(171)-E(172)-M(173)-E(174)-A(175)-T(176)-I(178)-R(193)-A(194)-I(195)-S(196)-D(197)-V(198)-A(199)-D(200)-S... |
3pyy | 26 | O=C1NC(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 | TYRASPLYSTRPGLUMETGLUARGTHRASPILETHRMETLYSHISLYSLEUGLYGLYGLYGLNTYRGLYGLUVALTYRGLUGLYVALTRPLYSLYSTYRSERLEUTHRVALALAVALLYSTHRLEULYSGLUVALGLUGLUPHELEULYSGLUALAALAVALMETLYSGLUILELYSHISPROASNLEUVALGLNLEULEUGLYVALCYSTHRARGGLUPROPROPHETYRILEILETHRGLUPHEMETTHRTYRGLYASNLEULEUASPTYRLEUARGGLUCYSASNARGGLNGLUVALASNALAVALVALLEULEUTY... | 6.473672 | 0.335558 | L(342)-L(346)-R(351)-V(354)-N(355)-A(356)-V(357)-V(358)-L(359)-L(360)-Y(361)-M(362)-A(363)-T(364)-I(366)-F(444)-G(445)-V(446)-L(447)-L(448)-W(449)-E(450)-I(451)-A(452)-T(453)-Y(454)-R(479)-P(480)-E(481)-G(482)-C(483)-P(484)-E(485)-K(486)-V(487)-Y(488)-L(490)-M(491)-F(512)-M(515)-F(516)-E(518)-S(519) |
4b5s | 58 | CC(=O)C(=O)[O-] | METGLUASNSERPHELYSALAALALEULYSALAGLYARGPROGLNILEGLYLEUTRPLEUGLYLEUSERSERSERTYRSERALAGLULEULEUALAGLYALAGLYPHEASPTRPLEULEUILEASPGLYGLUHISALAPROASNASNVALGLNTHRVALLEUTHRGLNLEUGLNALAILEALAPROTYRPROSERGLNPROVALVALARGPROSERTRPASNASPPROVALGLNILELYSGLNLEULEUASPVALGLYTHRGLNTHRLEULEUVALPROMETVALGLNASNALAASPGLUALAARGGLUALAVALARGAL... | 4.615773 | 0.247789 | W(19)-W(38)-L(40)-D(42)-E(44)-H(45)-R(70)-L(91)-P(93)-M(94)-Q(147)-I(148)-E(149)-F(170)-I(171)-G(172)-P(173)-A(174)-D(175)-L(176)-S(177)-A(178)-D(179)-G(184)-P(186)-I(195)-I(211)-L(212)-I(213)-A(231)-V(234)-G(117)-V(118)-G(119)-S(120)-A(121)-L(122) |
2ayr | 11 | CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 | LEUALALEUSERLEUTHRALAASPGLNMETVALSERALALEULEUASPALAGLUPROPROILELEUTYRSERGLUTYRASPPROTHRARGPROPHESERGLUALASERMETMETGLYLEULEUTHRASNLEUALAASPARGGLULEUVALHISMETILEASNTRPALALYSARGVALPROGLYPHEVALASPLEUTHRLEUHISASPGLNVALHISLEULEUGLUSERALATRPLEUGLUILELEUMETILEGLYLEUVALTRPARGSERMETGLUHISPROGLYLYSLEULEUPHEALAPROASNLEULEULEUASPAR... | 8.200185 | 0.101795 | I(326)-L(327)-M(342)-M(343)-G(344)-L(345)-L(346)-T(347)-N(348)-L(349)-A(350)-D(351)-R(352)-E(353)-L(354)-V(355)-M(357)-E(380)-W(383)-L(384)-E(385)-I(386)-L(387)-M(388)-I(389)-G(390)-L(391)-V(392)-R(394)-S(395)-L(402)-L(403)-F(404)-A(405)-L(408)-L(410)-G(415)-V(418)-E(419)-G(420)-M(421)-V(422)-E(423)-I(424)-F(425)-M(427... |
5g5z | 10 | OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O | LYSTHRLEULYSPHEMETTHRALASERSERPROLEUSERPROLYSASPPROASNGLULYSLEUILELEUGLNARGLEUGLULYSGLUTHRGLYVALHISILEASPTRPTHRASNTYRGLNSERASPPHEALAGLULYSARGASNLEUASPILESERSERGLYASPLEUPROASPALAILEHISASNASPGLYALASERASPVALASPLEUMETASNTRPALALYSLYSGLYVALILEILEPROVALGLUASPLEUILEASPLYSTYRMETPROASNLEULYSLYSILELEUASPGLULYSPROGLUTYRLYSALALEUME... | 5.561441 | 0.23042 | S(56)-L(58)-N(108)-W(165)-E(167)-E(168)-L(169)-I(176)-H(177)-N(180)-M(182)-N(235)-E(236)-W(296)-T(313)-W(314)-D(315)-K(316)-N(317)-N(318)-M(347)-G(348)-F(349)-K(353)-N(382)-N(383)-W(384)-H(407)-A(414)-P(415)-A(416)-E(417)-L(418)-R(419)-Q(420)-K(421)-T(422)-E(423)-V(424)-G(425)-G(426)-I(430)-Y(435)-M(441)-P(442)-D(443)-... |
6qmj | 20 | COc1cc([C@@H](CC(=O)[O-])c2ccc(C)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc2nnn(C)c12 | GLYARGLEUILETYRTHRALAGLYGLYTYRPHEARGGLNSERLEUSERTYRLEUGLUALATYRASNPROSERASNGLYSERTRPLEUARGLEUALAASPLEUGLNVALPROARGSERGLYLEUALAGLYCYSVALVALGLYGLYLEULEUTYRALAVALGLYGLYARGASNASNSERPROASPGLYASNTHRASPSERSERALALEUASPCYSTYRASNPROMETTHRASNGLNTRPSERPROCYSALASERMETSERVALPROARGASNARGILEGLYVALGLYVALILEASPGLYHISILETYRALAVALGLYGLYSE... | 7.051018 | 0.136405 | G(333)-Y(334)-F(335)-R(336)-Q(337)-S(338)-L(339)-R(362)-S(363)-G(364)-L(365)-G(379)-R(380)-N(382)-N(387)-N(414)-R(415)-I(416)-H(436)-I(461)-G(462)-V(463)-G(477)-F(478)-D(479)-G(480)-T(481)-N(482)-R(483)-L(484)-I(506)-R(507)-S(508)-G(509)-A(510)-G(524)-Y(525)-D(526)-G(527)-Q(528)-D(529)-Q(530)-L(531)-R(554)-S(555)-A(556... |
1b3h | 11 | [NH3+]CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] | ALAASPVALPROALAGLYVALGLNLEUALAASPLYSGLNTHRLEUVALARGASNASNGLYSERGLUVALGLNSERLEUASPPROHISLYSILEGLUGLYVALPROGLUSERASNVALSERARGASPLEUPHEGLUGLYLEULEUILESERASPVALGLUGLYHISPROSERPROGLYVALALAGLULYSTRPGLUASNLYSASPPHELYSVALTRPTHRPHEHISLEUARGGLUASNALALYSTRPSERASPGLYTHRPROVALTHRALAHISASPPHEVALTYRSERTRPGLNARGLEUALAASPPROASNTHRALASE... | 9.260609 | 0.251938 | N(19)-G(20)-S(21)-Q(24)-I(31)-E(32)-G(33)-V(34)-P(35)-E(36)-S(37)-N(38)-S(40)-R(41)-P(108)-Y(109)-Y(112)-Y(115)-V(160)-H(161)-P(162)-S(163)-Y(245)-N(246)-N(247)-M(248)-Y(269)-L(270)-C(271)-T(272)-Y(273)-Y(274)-E(276)-Y(317)-N(366)-S(368)-L(370)-H(371)-W(397)-F(400)-L(401)-D(402)-R(404)-H(405)-A(412)-R(413)-A(414)-G(415... |
4zx3 | 10 | CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(Br)cc1 | PROLYSILEHISTYRARGLYSASPTYRLYSPROSERGLYPHEILEILEASNGLNVALTHRLEUASNILEASNILEHISASPGLNGLUTHRILEVALARGSERVALLEUASPMETASPILESERLYSHISASNVALGLYGLUASPLEUVALPHEASPGLYVALGLYLEULYSILEASNGLUILESERILEASNASNLYSLYSLEUVALGLUGLYGLUGLUTYRTHRTYRASPASNGLUPHELEUTHRILEPHESERLYSPHEVALPROLYSSERLYSPHEALAPHESERSERGLUVALILEILEHISPROGLUTHRASNTY... | 4.79222 | 0.357892 | T(305)-Q(317)-C(318)-E(319)-A(320)-T(321)-G(322)-Y(383)-F(457)-N(458)-V(459)-G(460)-A(461)-M(462)-E(463)-N(464)-N(468)-I(469)-F(470)-N(471)-N(473)-S(474)-R(489)-T(492)-V(493)-H(496)-E(497)-Y(498)-H(500)-T(503)-N(505)-W(512)-L(515)-K(518)-E(519)-G(520)-T(522)-V(523)-E(526)-M(571)-E(572)-N(573)-F(574)-Y(575)-T(576)-T(577... |
5mby | 10 | O=C([O-])[C@@H]1CCC[NH2+]1 | GLYPROSERPHETRPLEUGLYASNGLUTHRLEULYSVALPROLEUALALEUPHEALALEUASNARGGLNARGLEUCYSGLUARGLEUARGLYSASNPROALAVALGLNALAGLYSERILEVALVALLEUGLNGLYGLYGLUGLUTHRGLNARGTYRCYSTHRASPTHRGLYVALLEUPHEARGGLNGLUSERPHEPHEHISTRPALAPHEGLYVALTHRGLUPROGLYCYSTYRGLYVALILEASPVALASPTHRGLYLYSSERTHRLEUPHEVALPROARGLEUPROALASERHISALATHRTRPMETGLYLYSILEHI... | 4.788363 | 0.489799 | D(153)-Y(241)-I(244)-V(253)-L(254)-H(255)-Y(256)-L(274)-D(276)-D(287)-T(289)-M(364)-P(365)-H(366)-G(367)-L(368)-G(369)-H(370)-V(376)-H(377)-S(396)-L(397)-R(398)-T(399)-T(410)-E(412)-P(413)-G(414)-Y(416)-R(450)-E(452)-D(60)-W(107) |
3kek | 11 | Cc1cc(-c2ncn(C[C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1 | TYRASNVALPHEPROARGTHRLEULYSTRPSERLYSMETASNLEUTHRTYRARGILEVALASNTYRTHRPROASPMETTHRHISSERGLUVALGLULYSALAPHELYSLYSALAPHELYSVALTRPSERASPVALTHRPROLEUASNPHETHRARGLEUHISASPGLYILEALAASPILEMETILESERPHEGLYILELYSGLUHISGLYASPPHETYRPROPHEASPGLYPROSERGLYLEULEUALAHISALAPHEPROPROGLYPROASNTYRGLYGLYASPALAHISPHEASPASPASPGLUTHRTRPTHRSERSE... | 8.059516 | 0.315318 | M(129)-K(136)-A(137)-K(140)-V(144)-G(183)-L(184)-L(185)-A(186)-H(187)-F(201)-E(205)-W(207)-T(208)-S(209)-S(210)-S(211)-Y(214)-N(215)-L(216)-F(217)-L(218)-V(219)-A(220)-A(221)-H(222)-E(223)-F(224)-H(226)-H(232)-S(233)-D(235)-P(236)-G(237)-A(238)-L(239)-M(240)-F(241)-P(242)-I(243)-Y(244)-T(245)-Y(246)-T(247)-G(248)-K(249... |
6eiq | 12 | COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)c(C(=O)c2ccccc2)s1 | LYSVALTYRASNASPGLYTYRASPASPASPASNTYRASPTYRILEVALLYSASNGLYGLULYSTRPMETASPARGTYRGLUILEASPSERLEUILEGLYLYSGLYSERPHEGLYGLNVALVALLYSALATYRASPARGVALGLUGLNGLUTRPVALALAILELYSILEILELYSASNLYSLYSALAPHELEUASNGLNALAGLNILEGLUVALARGLEULEUGLULEUMETASNLYSHISASPTHRGLUMETLYSTYRTYRILEVALHISLEULYSARGHISPHEMETPHEARGASNHISLEUCYSLEUVALPHEGLUME... | 7.194557 | 0.064816 | S(163)-L(164)-I(165)-G(166)-K(167)-G(168)-F(170)-G(171)-Q(172)-V(173)-V(174)-K(175)-A(176)-V(185)-A(186)-I(187)-K(188)-I(189)-I(190)-E(203)-V(222)-H(223)-L(236)-V(237)-F(238)-E(239)-M(240)-L(241)-S(242)-Y(243)-N(244)-L(245)-Y(246)-D(247)-L(248)-R(250)-N(251)-K(289)-E(291)-N(292)-I(293)-L(294)-L(295)-K(304)-I(305)-V(306... |
6j0o | 10 | Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(=O)(=O)CCO)cc3)c2)n1 | THRHISARGPHEVALGLNLYSVALGLUGLUMETVALGLNASNHISMETTHRTYRSERLEUGLNASPVALGLYGLYASPALAASNTRPGLNLEUVALVALGLUGLUGLYGLUMETLYSVALTYRARGARGGLUVALGLUGLUASNGLYILEVALLEUASPPROLEULYSALATHRHISALAVALLYSGLYVALTHRGLYHISGLUVALCYSASNTYRPHETRPASNVALASPVALARGASNASPTRPGLUTHRTHRILEGLUASNPHEHISVALVALGLUTHRLEUALAASPASNALAILEILEILETYRGLNTHRHISLY... | 7.133058 | 0.012513 | L(418)-F(436)-R(442)-W(445)-E(446)-T(447)-T(448)-I(449)-E(450)-F(452)-I(465)-Q(467)-T(468)-H(469)-K(470)-R(471)-V(472)-W(473)-S(476)-Q(477)-R(478)-D(479)-V(480)-L(481)-Y(482)-L(483)-S(484)-V(502)-C(503)-N(504)-F(505)-S(506)-V(519)-R(520)-A(521)-K(522)-I(523)-N(524)-V(525)-A(526)-M(527)-Y(553)-V(554)-A(555)-N(556)-V(557... |
4l19 | 10 | Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1 | TYRASNVALPHEPROARGTHRLEULYSTRPSERLYSMETASNLEUTHRTYRARGILEVALASNTYRTHRPROASPMETTHRHISSERGLUVALGLULYSALAPHELYSLYSALAPHELYSVALTRPSERASPVALTHRPROLEUASNPHETHRARGLEUHISASPGLYILEALAASPILEMETILESERPHEGLYILELYSGLUHISGLYASPPHETYRPROPHEASPGLYPROSERGLYLEULEUALAHISALAPHEPROPROGLYPROASNTYRGLYGLYASPALAHISPHEASPASPASPGLUTHRTRPTHRSERSE... | 6.661422 | 0.003156 | G(183)-L(184)-L(185)-A(186)-H(187)-F(201)-W(207)-Y(214)-N(215)-L(216)-F(217)-L(218)-V(219)-A(220)-A(221)-H(222)-E(223)-H(226)-H(232)-S(233)-D(235)-P(236)-G(237)-A(238)-L(239)-M(240)-F(241)-P(242)-I(243)-Y(244)-T(245)-Y(246)-T(247)-G(248)-K(249)-H(251)-F(252)-M(253)-L(254)-P(255)-D(258) |
4mhz | 58 | COc1ccc(/N=C(/S)NCCCn2ccnc2)cc1OC | LEULYSTRPPROARGASPLEUARGPROLEUALAHISHISASPLEULEUTYRMETGLYGLNILESERGLUASPARGGLYASPPHEASNALATHRLEUARGASNPHELEUVALPROARGVALVALGLYSERGLNLYSHISARGGLUVALARGGLUPHEILEVALARGSERLEULYSASPLEUASPTRPASPVALGLUGLUASPCYSPHEASPGLYGLNTHRPROHISGLYILELYSPROPHECYSASNVALILEALATHRLEUASNPROSERALACYSHISARGLEUVALLEUALACYSHISTYRASPSERLEULEUHISLY... | 5.692553 | 0.238477 | H(128)-L(132)-F(139)-T(143)-D(144)-S(145)-E(183)-E(184)-A(185)-W(189)-S(194)-L(195)-L(236)-L(237)-D(238)-L(239)-Y(250)-G(293)-F(294)-I(295)-E(296)-D(297)-D(298)-H(299)-I(300)-H(311)-I(313)-P(314)-S(315)-P(316)-F(317)-P(318)-D(319)-W(321)-H(322)-D(326) |
5nvw | 25 | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2CC2)C(C)(C)C)cc1 | METASPVALPHELEUMETILEARGARGHISLYSTHRTHRILEPHETHRASPALALYSGLUSERSERTHRVALPHEGLULEULYSARGILEVALGLUGLYILELEULYSARGPROPROASPGLUGLNARGLEUTYRLYSASPASPGLNLEULEUASPASPGLYLYSTHRLEUGLYGLUGLYPHETHRSERGLNTHRALAARGPROGLNALAPROALATHRVALGLYLEUALAPHEARGALAASPASPTHRPHEGLUALALEUILEGLUPROPHESERSERPROPROGLULEUPROASPVALMETLYSMETMETTYRVALLY... | 6.666712 | 0.275143 | S(65)-V(66)-N(67)-S(68)-R(69)-E(70)-P(71)-S(72)-V(74)-F(76)-V(84)-L(85)-P(86)-V(87)-W(88)-L(89)-N(90)-F(91)-Q(96)-P(97)-Y(98)-P(99)-T(100)-L(101)-G(106)-R(107)-R(108)-I(109)-H(110)-S(111)-Y(112)-R(113)-G(114)-H(115)-L(116)-W(117)-F(119)-P(138) |
5nn6 | 11 | OCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO | GLNCYSASPVALPROPROASNSERARGPHEASPCYSALAPROASPLYSALAILETHRGLNGLUGLNCYSGLUALAARGGLYCYSCYSTYRILEPROALALYSGLNGLYGLNPROTRPCYSPHEPHEPROPROSERTYRPROSERTYRLYSLEUGLUASNLEUSERSERSERGLUMETGLYTYRTHRALATHRLEUTHRARGTHRTHRPROTHRPHEPHEPROLYSASPILELEUTHRLEUARGLEUASPVALMETMETGLUTHRGLUASNARGLEUHISPHETHRILELYSASPPROALAASNARGARGTYRGLUVALPR... | 5.791579 | 0.23068 | D(282)-L(283)-A(284)-P(285)-Y(292)-C(374)-R(375)-W(376)-G(377)-W(402)-N(403)-D(404)-L(405)-D(406)-M(408)-I(441)-V(442)-D(443)-V(480)-W(481)-W(516)-I(517)-D(518)-M(519)-N(520)-E(521)-S(523)-F(525)-R(600)-W(613)-T(614)-G(615)-D(616)-V(617)-D(645)-F(649)-L(650)-R(672)-H(674)-N(675)-S(676)-L(677) |
2bok | 19 | C[N+](C)(C)CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(C(N)=[NH2+])cc1)[N@H+]1CCC[C@@H]21 | ILEVALGLYGLYGLNGLUCYSLYSASPGLYGLUCYSPROTRPGLNALALEULEUILEASNGLUGLUASNGLUGLYPHECYSGLYGLYTHRILELEUSERGLUPHETYRILELEUTHRALAALAHISCYSLEUTYRGLNALALYSARGPHELYSVALARGVALGLYALAVALHISGLUVALGLUVALVALILELYSHISASNARGPHETHRLYSGLUTHRTYRASPPHEASPILEALAVALLEUARGLEULYSTHRPROILETHRPHEARGMETASNVALALAPROALACYSLEUPROGLUARGASPTRPALAGLUSERTH... | 7.446103 | 0.314163 | I(16)-V(17)-F(41)-C(42)-G(43)-A(55)-H(57)-C(58)-Y(60)-Q(61)-F(94)-T(95)-K(96)-E(97)-T(98)-Y(99)-D(100)-D(102)-V(138)-G(142)-R(143)-E(147)-Q(151)-L(158)-V(160)-S(172)-S(173)-F(174)-I(175)-I(176)-M(180)-A(183)-G(184)-E(188)-D(189)-A(190)-C(191)-Q(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-... |
3vfa | 10 | COc1ccc(S(=O)(=O)N(C[C@H]2CCC(=O)N2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)cc1 | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALILEGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEILEILEGLUILEALAGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROALAASNILEILEGLYARGASNLEULEUTHRGLNILEGLYALATHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 7.955301 | 0.425657 | R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)-V(56)-L(76)-P(79)-T(80)-P(81)-A(82)-N(83)-I(84)-I(85)-G(86)-R(87)-N(88)-R(8)-P(9)-L(10)-A(22)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-E(34)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)... |
1utj | 10 | [NH3+]Cc1ccccc1 | ILEVALGLYGLYTYRGLUCYSLYSPROTYRSERGLNPROHISGLNVALSERLEUASNSERGLYTYRHISPHECYSGLYGLYSERLEUVALASNGLUASNTRPVALVALSERALAALAHISCYSTYRLYSSERARGVALGLUVALARGLEUGLYGLUHISASNILELYSVALTHRGLUGLYSERGLUGLNPHEILESERSERSERARGVALILEARGHISPROASNTYRSERSERTYRASNILEASPASNASPILEMETLEUILELYSLEUSERLYSPROALATHRLEUASNTHRTYRVALGLNPROVALALALEUPROTH... | 5.084604 | 0.030321 | I(16)-V(17)-H(57)-I(99)-V(138)-G(142)-N(143)-Y(172)-A(183)-G(184)-K(188)-D(189)-S(190)-C(191)-Q(192)-G(193)-D(194)-S(195)-G(196)-G(197)-V(212)-V(213)-S(214)-W(215)-G(216)-Y(217)-G(219)-C(220)-A(221)-E(221)-N(224)-P(225)-G(226)-V(227)-Y(228) |
2w67 | 10 | CC(=O)N[C@H]1C[NH2+]C[C@@H](O)[C@@H](O)[C@@H]1O | LEUGLNPROPROPROGLNGLNLEUILEVALGLNASNLYSTHRILEASPLEUPROALAVALTYRGLNLEUASNGLYGLYGLUGLUALAASNPROHISALAVALLYSVALLEULYSGLULEULEUSERGLYLYSGLNSERLYSGLYMETLEUILESERILEGLYGLULYSGLYASPLYSSERVALARGLYSTYRSERARGGLNILEPROASPHISLYSGLUGLYTYRTYRLEUSERVALASNGLULYSGLUILEVALLEUALAGLYASNASPGLUARGGLYTHRTYRTYRALALEUGLNTHRPHEALAGLNLEULEULYSAS... | 6.080729 | 0.249121 | V(133)-E(134)-G(135)-F(136)-Y(137)-G(138)-G(164)-P(165)-K(166)-H(207)-F(240)-F(241)-D(242)-D(243)-C(278)-P(279)-T(280)-E(281)-Y(282)-N(283)-W(286)-M(308)-W(309)-T(310)-R(313)-V(314)-I(315)-W(337)-W(338)-N(339)-F(340)-P(341)-V(342)-S(343)-D(344)-Y(345)-V(346)-R(347)-N(372)-P(373)-M(374)-H(433) |
2ra6 | 10 | CCc1ccc(O)cc1 | ARGHISTRPHISTHRVALVALLEUALASERSERASPARGSERLEUILEGLUGLUGLUGLYPROPHEARGASNPHEILEGLNASNILETHRVALGLUSERGLYASNLEUASNGLYPHEPHELEUTHRARGLYSASNGLYGLNCYSILEPROLEUTYRLEUTHRALAPHELYSTHRGLUGLUALAARGGLNPHELYSLEUASNTYRTYRGLYTHRASNASPVALTYRTYRGLUSERSERLYSPROASNGLUTYRALALYSPHEILEPHETYRASNTYRHISASPGLYLYSVALASNVALVALALAASNLEUPHEGLYARGTH... | 4.92523 | 0.167393 | W(28)-T(30)-L(33)-F(47)-N(49)-I(51)-N(53)-I(54)-T(55)-V(56)-N(60)-L(61)-N(62)-G(63)-F(64)-F(65)-L(76)-Y(77)-L(78)-T(79)-A(80)-F(81)-F(89)-K(90)-L(91)-N(92)-Y(93)-N(97)-V(99)-Y(100)-Y(101)-A(110)-K(111)-F(112)-I(113)-F(114)-V(125)-N(127)-L(128)-F(129) |
6quv | 10 | C[N@H+]1CC[C@](C)([C@]23NC(=O)c4ccccc4[C@H]2c2ccccc2N3)CC1 | METTHRGLUTYRLYSLEUVALVALVALGLYALAASPGLYVALGLYLYSSERALALEUTHRILEGLNLEUILEGLNASNHISPHEVALASPGLUTYRASPPROTHRILEGLUASPSERTYRARGLYSGLNVALVALILEASPGLYGLUTHRCYSLEULEUASPILELEUASPTHRALAGLYGLNGLUGLUTYRSERALAMETARGASPGLNTYRMETARGTHRGLYGLUGLYPHELEUCYSVALPHEALAILEASNASNTHRLYSSERPHEGLUASPILEHISHISTYRARGGLUGLNILELYSARGVALLYSASPSERGL... | 5.14622 | 0.386777 | K(5)-E(37)-D(38)-S(39)-Y(40)-R(41)-D(54)-I(55)-L(56)-D(57)-T(74)-E(3)-Y(4)-K(5)-L(6)-V(7)-V(8)-E(37)-D(38)-S(39)-Y(40)-R(41)-L(53)-D(54)-I(55)-L(56)-D(57)-T(58)-Q(70)-Y(71)-M(72)-R(73)-T(74)-G(75)-E(76)-G(77)-F(78)-K(104) |
6p84 | 20 | CC1(C)CC(=O)c2c(nc3[nH]n(-c4ccccc4)c(=O)c3c2-c2cccs2)C1 | SERILEARGLEUALAASPLEUALAGLNGLNLEUASPALAGLULEUHISGLYASPGLYASPILEVALILETHRGLYVALALASERMETGLNSERALAGLNTHRGLYHISILETHRPHEMETVALASNPROLYSTYRARGGLUHISLEUGLYLEUCYSGLNALASERALAVALVALMETTHRGLNASPASPLEUPROPHEALALYSSERALAALALEUVALVALLYSASNPROTYRLEUTHRTYRALAARGMETALAGLNILELEUASPTHRTHRPROGLNPROALAGLNASNILEALAPROSERALAVALILEASPALATH... | 7.700139 | 0.506506 | Y(80)-I(230)-I(231)-D(232)-N(233)-T(247)-A(248)-V(249)-A(250)-G(251)-G(252)-V(253)-C(265)-M(266)-I(267)-G(268)-G(269)-A(270)-S(271)-V(283)-T(284)-V(285)-T(286)-G(287)-M(288)-G(289)-V(300)-Y(301)-S(302)-F(183)-G(184)-Y(185)-A(186)-N(187)-W(192)-V(193)-I(195)-Q(236)-A(238)-H(239)-V(253)-I(254)-M(255)-A(256)-G(257)-S(271)... |
2p09 | 10 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | ASPASPASPASPLYSLYSTHRASNTRPLEULYSARGILETYRARGVALARGPROCYSVALLYSCYSLYSVALALAPROARGASPTRPLYSVALLYSASNLYSHISLEUARGILETYRASNMETCYSLYSTHRCYSPHEASNASNSERILEASPILEGLYASPASPTHRTYRHISGLYHISVALASPTRPLEUMETTYRALAASPSERASPASPASPASPLYSLYSTHRASNTRPLEULYSARGILETYRARGVALARGPROCYSVALLYSCYSLYSVALALAPROARGASPTRPLYSVALLYSASNLYSHISLEUARGIL... | 5.946006 | 0.065215 | C(23)-V(24)-K(25)-P(30)-R(31)-D(32)-W(33)-K(34)-K(36)-R(41)-I(42)-Y(43)-N(44)-M(45)-C(46)-K(47)-T(48)-C(49)-F(50)-N(51)-S(53)-I(54)-D(59)-T(60)-Y(61)-H(62)-G(63)-H(64)-V(65)-D(66)-D(6)-K(9)-D(72)-S(73) |
4auj | 48 | OCC#Cc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 | PHEALACYSLYSTHRALAASNGLYTHRALAILEPROILEGLYGLYGLYSERALAASNVALTYRVALASNLEUALAPROVALVALASNVALGLYGLNASNLEUVALVALASPLEUSERTHRGLNILEPHECYSHISASNASPTYRPROGLUTHRILETHRASPTYRVALTHRLEUGLNARGGLYSERALATYRGLYGLYVALLEUSERASNPHESERGLYTHRVALLYSTYRSERGLYSERSERTYRPROPHEPROTHRTHRSERGLUTHRPROARGVALVALTYRASNSERARGTHRASPLYSPROTRPPROVALALALE... | 4.862583 | 0.241276 | F(1)-A(2)-P(12)-I(13)-G(14)-G(15)-C(44)-H(45)-N(46)-D(47)-Y(48)-P(49)-E(50)-T(51)-I(52)-T(53)-D(54)-Y(55)-Y(95)-N(96)-S(97)-R(98)-Q(133)-T(134)-N(135)-N(136)-Y(137)-N(138)-S(139)-D(140)-D(141)-F(142)-F(144) |
5tcy | 10 | O=C(NCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O | ALAMETLEUPROILESERMETSERASPGLUGLYASPSERPHELEUVALLYSASPSERLEUGLYGLUASNLYSILEPROLYSASNPROSERLYSVALVALILELEUASPLEUGLYILELEUASPTHRPHEASPALALEULYSLEUASNASPLYSVALVALGLYVALPROALALYSASNLEUPROLYSTYRLEUGLNGLNPHELYSASNLYSPROSERVALGLYGLYVALGLNGLNVALASPPHEGLUALAILEASNALALEULYSPROASPLEUILEILEILESERGLYARGGLNSERLYSPHETYRASPLYSLEULYSGL... | 3.174924 | 0.031464 | L(58)-K(79)-N(80)-G(96)-V(97)-Q(98)-Q(99)-S(116)-G(117)-R(118)-Q(119)-S(120)-K(121)-F(122)-N(139)-L(191)-N(193)-R(205)-F(206)-G(225)-T(226)-L(227)-R(249)-I(252)-L(253)-N(255)-W(287)-Y(288)-L(289)-A(290) |
2q88 | 29 | CC1=NCC[C@@H](C(=O)[O-])N1 | ARGASPGLUASNLYSLEUGLUGLULEULYSGLUGLNGLYPHEALAARGILEALAILEALAASNGLUPROPROPHETHRALAVALGLYALAASPGLYLYSVALSERGLYALAALAPROASPVALALAARGGLUILEPHELYSARGLEUGLYVALALAASPVALVALALASERILESERGLUTYRGLYALAMETILEPROGLYLEUGLNALAGLYARGHISASPALAILETHRALAGLYLEUPHEMETLYSPROGLUARGCYSALAALAVALALATYRSERGLNPROILELEUCYSASPALAGLUALAPHEALALEULYSLY... | 6.352476 | 0.281485 | A(19)-E(21)-P(22)-P(23)-F(24)-T(25)-A(37)-Y(60)-G(61)-M(63)-I(64)-I(75)-A(77)-G(78)-L(79)-F(80)-M(81)-K(82)-R(85)-Y(91)-L(96)-D(98)-E(100)-A(128)-P(129)-G(130)-G(131)-G(132)-T(133)-E(134)-E(135)-K(136)-L(137)-Y(169)-S(170)-L(171)-P(172)-L(174)-S(175)-I(176)-Y(200)-C(201)-D(202)-G(203)-F(239) |
3mxd | 20 | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2O)C(=O)O1)S(=O)(=O)c1ccc2c(c1)OCO2 | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILEARGILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETASNLEUPROGLYLYSTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEPROILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 8.020949 | 0.258304 | R(8)-L(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)-V(56)-L(76)-T(80)-P(81)-V(82)-N(83)-I(84)-I(85)-G(86)-R(87)-N(88)-R(8)-P(9)-L(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)... |
1dmp | 10 | Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 | PROGLNVALTHRLEUTRPGLNARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILELEUILEGLUILEGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYALATHRLEUASNPHEPROGLNVALTHRLEUTRPGLNARGPR... | 7.332936 | 0.225408 | R(8)-P(9)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-L(33)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-I(54)-V(56)-L(76)-T(80)-P(81)-V(82)-N(83)-I(84)-I(85)-G(86)-R(87)-R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-L(33)-K(45)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)-V(56)... |
1ohr | 15 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | PROGLNILETHRLEUTRPGLNARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILELEUILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPGLNAR... | 8.123212 | 0.324981 | R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-I(54)-V(56)-L(76)-P(79)-T(80)-P(81)-V(82)-N(83)-I(84)-I(85)-G(86)-R(87)-N(88)-R(8)-P(9)-L(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)... |
6chp | 10 | COC(=O)N1CCC(Cc2cccc([C@@H](CC#N)Nc3nc4nc(C)ccc4[nH]3)c2)CC1 | GLNLYSARGALAILETYRPROGLYTHRPHEASPPROILETHRASNGLYHISILEASPILEVALTHRARGALATHRGLNMETPHEASPHISVALILELEUALAILEALAALASERPROSERLYSLYSPROMETPHETHRLEUGLUGLUARGVALALALEUALAGLNGLNALATHRALAHISLEUGLYASNVALGLUVALVALGLYPHESERASPLEUMETALAASNPHEALAARGASNGLNHISALATHRVALLEUILEARGGLYLEUARGALAVALALAASPPHEGLUTYRGLUMETGLNLEUALAHISMETASNARGHI... | 6.673559 | 0.272614 | I(6)-Y(7)-P(8)-G(9)-T(10)-F(11)-A(35)-I(36)-A(37)-A(38)-S(39)-P(40)-S(41)-K(42)-L(48)-R(51)-G(69)-F(70)-S(71)-D(72)-L(73)-M(74)-A(75)-N(76)-F(77)-L(86)-I(87)-R(88)-Y(98)-E(99)-M(100)-Q(101)-L(102)-A(103)-H(104)-M(105)-N(106)-R(107)-H(108)-L(109)-L(113)-E(114)-S(115)-V(116)-F(117)-S(130)-L(131)-V(132)-K(133)-E(134)-V(13... |
2yek | 32 | CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 | ARGVALTHRASNGLNLEUGLNTYRLEUHISLYSVALVALMETLYSALALEUTRPLYSHISGLNPHEALATRPPROPHEARGGLNPROVALASPALAVALLYSLEUGLYLEUPROASPTYRHISLYSILEILELYSGLNPROMETASPMETGLYTHRILELYSARGARGLEUGLUASNASNTYRTYRTRPALAALASERGLUCYSMETGLNASPPHEASNTHRMETPHETHRASNCYSTYRILETYRASNLYSPROTHRASPASPILEVALLEUMETALAGLNTHRLEUGLULYSILEPHELEUGLNLYSVALALASERME... | 6.687691 | 0.744522 | F(95)-A(96)-W(97)-P(98)-F(99)-R(100)-Q(101)-P(102)-V(103)-D(104)-A(105)-K(107)-L(108)-G(109)-L(110)-P(111)-D(112)-Y(113)-I(117)-M(121)-D(122)-M(123)-M(148)-F(149)-N(151)-C(152)-Y(153)-I(154)-Y(155)-N(156)-K(157)-D(160)-D(161)-I(162)-V(163)-M(165)-A(166)-L(169) |
5lso | 10 | NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O | ALAMETGLYLYSCYSPROTHRLYSVALVALLEULEUARGASNMETVALGLYALAGLYGLUVALASPGLUASPLEUGLUVALGLUTHRLYSGLUGLUCYSGLULYSTYRGLYLYSVALGLYLYSCYSVALILEPHEGLUILEPROGLYALAPROASPASPGLUALAVALARGILEPHELEUGLUPHEGLUARGVALGLUSERALAILELYSALAVALVALASPLEUASNGLYARGTYRPHEGLYGLYARGVALVALLYSALACYSPHETYRASNLEUASPLYSPHEARGVALLEUASPLEUALAGLUGLN | 5.656012 | 0.143353 | L(309)-M(312)-V(313)-G(314)-E(317)-V(318)-D(319)-E(320)-D(321)-L(322)-E(323)-V(324)-E(325)-T(326)-K(327)-E(328)-E(329)-C(330)-E(331)-K(332)-Y(333)-I(355)-L(357)-A(368)-D(371)-L(372)-N(373)-G(374)-R(375)-Y(376)-F(377)-G(378)-G(379)-R(380)-V(381)-V(382)-A(384) |
4mc1 | 10 | CC(C)(C)[C@@H]1Cc2cc(F)ccc2S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)C1 | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALILEGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEILEILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 7.349399 | 0.035655 | R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-I(54)-V(56)-L(76)-P(79)-T(80)-P(81)-V(82)-N(83)-I(84)-I(85)-G(86)-R(87)-N(88)-R(8)-L(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-I(33)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53... |
3miy | 13 | CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | GLYSERVALILEASPPROSERGLULEUTHRPHEVALGLNGLUILEGLYSERGLYGLYLEUVALHISLEUGLYTYRTRPLEUASNLYSASPLYSVALALAILELYSTHRILESERGLUGLUASPPHEILEGLUGLUALAGLUVALMETMETLYSLEUSERHISPROLYSLEUVALGLNLEUTYRGLYVALCYSLEUGLUGLNALAPROILECYSLEUVALPHEGLUPHEMETGLUHISGLYCYSLEUSERASPTYRLEUARGTHRGLNARGGLYLEUPHEALAALAGLUTHRLEULEUGLYMETCYSLEUASPVALCYSGL... | 7.507984 | 0.141483 | Q(367)-E(368)-I(369)-G(370)-S(371)-L(376)-V(377)-H(378)-L(379)-G(380)-K(387)-V(388)-A(389)-I(390)-K(391)-M(410)-V(419)-Q(420)-L(421)-L(433)-V(434)-F(435)-E(436)-F(437)-M(438)-E(439)-H(440)-G(441)-C(442)-L(443)-D(445)-Y(446)-T(449)-R(486)-N(487)-C(488)-L(489)-V(490)-G(491)-K(497)-V(498)-S(499)-D(500)-F(501) |
1ws1 | 10 | CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C | METALAVALLEUGLUILEILELYSHISPROASNGLUVALLEUGLUTHRPROCYSGLUARGVALILEASNPHEASPLYSLYSLEUVALLYSLEULEULYSASPMETHISGLUTHRMETLEUILEALAASPGLYVALGLYLEUALAALAPROGLNVALGLYVALSERLEUGLNVALALAVALVALASPVALASPASPASPTHRGLYLYSILEGLULEUILEASNPROSERILELEUGLULYSARGGLYGLUGLNVALGLYPROGLUGLYCYSLEUSERPHEPROGLYLEUTYRGLYGLUVALGLUARGALAASPTYRILELY... | 5.286366 | 0.302956 | I(6)-I(7)-L(14)-M(35)-M(39)-L(40)-A(42)-D(43)-G(44)-V(45)-G(46)-L(47)-A(48)-A(49)-P(50)-Q(51)-A(59)-V(60)-V(61)-D(62)-V(63)-G(86)-P(87)-E(88)-G(89)-C(90)-L(91)-S(92)-F(93)-P(94)-G(95)-L(96)-Y(97)-G(98)-E(99)-V(100)-R(102)-F(125)-L(126)-A(127)-R(128)-A(129)-I(130)-Q(131)-H(132)-E(133)-I(134)-D(135)-H(136)-L(137)-V(140)-... |
6d1g | 18 | Cc1cc(Br)c2c(CP(=O)([O-])[O-])cc(=O)oc2c1 | GLYASPGLNARGPHEGLYASPLEUVALPHEARGGLNLEUALAPROASNVALTRPGLNHISTHRSERTYRLEUASPMETPROGLYPHEGLYALAVALALASERASNGLYLEUILEVALARGASPGLYGLYARGVALLEUVALVALASPTHRALATRPTHRASPASPGLNTHRALAGLNILELEUASNTRPILELYSGLNGLUILEASNLEUPROVALALALEUALAVALVALTHRHISALAHISGLNASPLYSMETGLYGLYMETASPALALEUHISALAALAGLYILEALATHRTYRALAASNALALEUSERASNGLNLE... | 5.351285 | 0.355006 | L(65)-M(67)-P(68)-G(69)-F(70)-G(71)-A(72)-V(73)-A(74)-S(75)-N(76)-W(93)-H(120)-A(121)-H(122)-Q(123)-D(124)-K(125)-M(126)-E(152)-M(154)-H(189)-T(190)-G(207)-C(208)-L(209)-K(211)-L(218)-G(219)-N(220)-L(221)-G(222)-D(223)-S(249)-H(250) |
5g60 | 10 | OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O | THRLEULYSPHEMETTHRALASERSERPROLEUSERPROLYSASPPROASNGLULYSLEUILELEUGLNARGLEUGLULYSGLUTHRGLYVALHISILEASPTRPTHRASNTYRGLNSERASPPHEALAGLULYSARGASNLEUASPILESERSERGLYASPLEUPROASPALAILEHISASNASPGLYALASERASPVALASPLEUMETASNTRPALALYSLYSGLYVALILEILEPROVALGLUASPLEUILEASPLYSTYRMETPROASNLEULYSLYSILELEUASPGLULYSPROGLUTYRLYSALALEUMETTH... | 4.528287 | 0.182011 | A(54)-S(55)-S(56)-P(57)-L(58)-K(66)-N(108)-D(109)-G(110)-W(165)-E(167)-L(169)-I(176)-H(177)-N(180)-N(235)-E(236)-W(296)-T(313)-W(314)-D(315)-K(316)-N(317)-N(318)-M(347)-G(348)-F(349)-A(350)-K(353)-N(382)-N(383)-W(384)-H(407)-A(414)-P(415)-A(416)-E(417)-L(418)-R(419)-Q(420)-K(421)-T(422)-E(423)-V(424)-G(425)-G(426)-I(43... |
1b55 | 12 | O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O | ALAALAVALILELEUGLUSERILEPHELEULYSARGSERGLNGLNLYSLYSLYSTHRSERPROLEUASNPHELYSLYSARGLEUPHELEULEUTHRVALHISLYSLEUSERTYRTYRGLUTYRASPPHEGLUARGGLYARGARGGLYSERLYSLYSGLYSERILEASPVALGLULYSILETHRCYSVALGLUTHRVALVALPROGLULYSASNPROPROPROGLUARGGLNILEPROARGARGMETGLUGLNILESERILEILEGLUARGPHEPROTYRPROPHEGLNVALVALTYRASPGLUGLYPROLEUTYRVALPH... | 3.697256 | 0.053755 | K(12)-R(13)-S(14)-Q(15)-Q(16)-K(17)-K(18)-K(19)-T(20)-S(21)-P(22)-L(23)-N(24)-F(25)-K(26)-K(27)-R(28)-L(29)-F(30)-Y(39)-Y(40)-E(41)-S(51)-K(52)-K(53)-G(54)-S(55)-I(56)-Y(106)-E(108)-P(110)-L(111)-Y(112)-K(160)-E(45) |
3sww | 10 | COCCN1Cc2c(nc(C)c(C[NH3+])c2-c2ccc(Cl)cc2Cl)C1=O | ARGLYSTHRTYRTHRLEUTHRASPTYRLEULYSASNTHRTYRARGLEULYSLEUTYRSERLEUARGTRPILESERASPHISGLUTYRLEUTYRLYSGLNGLUASNASNILELEUVALPHEASNALAGLUTYRGLYASNSERSERVALPHELEUGLUASNSERTHRPHEASPGLUPHEGLYHISSERILEASNASPTYRSERILESERPROASPGLYGLNPHEILELEULEUGLUTYRASNTYRVALLYSGLNTRPARGHISSERTYRTHRALASERTYRASPILETYRASPLEUASNLYSARGGLNLEUILETHRGLUGL... | 7.119434 | 0.09642 | R(125)-H(126)-W(201)-V(202)-E(204)-E(205)-E(206)-V(207)-S(209)-Y(256)-F(357)-R(358)-Y(547)-G(549)-P(550)-S(552)-K(554)-L(598)-W(627)-G(628)-W(629)-S(630)-Y(631)-G(632)-G(633)-Y(634)-V(635)-V(653)-A(654)-P(655)-V(656)-S(657)-W(659)-Y(662)-D(663)-V(665)-Y(666)-T(667)-R(669)-Y(670)-D(708)-N(710)-V(711)-Q(715)-H(740)-G(741... |
6arm | 10 | O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | PHESERCYSASNVALASPGLYGLYSERSERILEGLYALAGLYTHRTHRSERVALTYRVALASNLEUASPPROVALILEGLNPROGLYGLNASNLEUVALVALASPLEUSERGLNHISILESERCYSTRPASNASPTYRGLYGLYTRPTYRASPTHRASPHISILEASNLEUVALGLNGLYSERALAPHEALAGLYSERLEUGLNSERTYRLYSGLYSERLEUTYRTRPASNASNVALTHRTYRPROPHEPROLEUTHRTHRASNTHRASNVALLEUASPILEGLYASPLYSTHRPROMETPROLEUPROLEULYSLEUTY... | 4.380986 | 0.107497 | F(1)-S(2)-C(3)-S(10)-I(11)-G(12)-A(13)-W(43)-N(44)-D(45)-Y(46)-G(47)-W(49)-Y(50)-D(51)-T(52)-D(53)-H(54)-I(55)-I(94)-G(95)-D(96)-K(97)-K(132)-I(133)-A(134)-T(135)-L(136)-G(137)-S(138)-G(139)-N(140)-P(141)-R(142)-F(144) |
3t1m | 10 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 | LEUILEVALPROTYRASNLEUPROLEUPROGLYGLYVALVALPROARGMETLEUILETHRILELEUGLYTHRVALLYSPROASNALAASNARGILEALALEUASPPHEGLNARGGLYASNASPVALALAPHEHISPHEASNPROARGPHEASNGLUASNASNARGARGVALILEVALCYSASNTHRLYSLEUASPASNASNTRPGLYARGGLUGLUARGGLNSERVALPHEPROPHEGLUSERGLYLYSPROPHELYSILEGLNVALLEUVALGLUPROASPHISPHELYSVALALAVALASNASPALAHISLEULEUGL... | 4.660492 | 0.166553 | V(116)-P(117)-A(142)-N(143)-R(144)-I(145)-A(146)-L(147)-D(148)-V(155)-H(158)-F(159)-N(160)-P(161)-R(162)-F(163)-N(164)-E(165)-N(166)-V(170)-V(172)-C(173)-N(174)-T(175)-K(176)-W(181)-G(182)-R(183)-E(184)-E(185)-R(186)-R(224)-I(236)-S(237)-G(238)-D(239)-I(240) |
4ryd | 15 | CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 | VALTYRGLNGLUPROTHRASPPROLYSPHEPROGLNGLNTRPTYRLEUSERGLYVALTHRGLNARGASPLEUASNVALLYSALAALATRPALAGLNGLYTYRTHRGLYHISGLYILEVALVALSERILELEUASPASPGLYILEGLULYSASNHISPROASPLEUALAGLYASNTYRASPPROGLYALASERPHEASPVALASNASPGLNASPPROASPPROGLNPROARGTYRTHRGLNMETASNASPASNARGHISGLYTHRARGCYSALAGLYGLUVALALAALAVALALAASNASNGLYVALCYSGLYVALGLYVA... | 6.065941 | 0.331671 | D(153)-D(154)-G(155)-N(176)-R(185)-T(187)-N(190)-D(191)-N(192)-R(193)-H(194)-G(195)-T(196)-C(198)-R(225)-M(226)-L(227)-D(228)-G(229)-E(230)-V(231)-T(232)-D(233)-A(234)-V(235)-E(236)-A(237)-A(252)-S(253)-W(254)-G(255)-P(256)-E(257)-D(258)-D(259)-T(262)-V(263)-D(264)-G(265)-P(266)-A(267)-R(268)-L(269)-A(270)-E(271)-W(291... |
4xtv | 14 | Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CNS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1 | THRASPARGASPARGLEUARGPROPROLEUASPGLUARGSERLEUARGASPGLNLEUILEGLYALAGLYSERGLYTRPARGGLNLEUASPVALVALALAGLNTHRGLYSERTHRASNALAASPLEULEUALAARGALAALASERGLYALAASPILEASPGLYVALVALLEUILEALAGLUHISGLNTHRALAGLYARGGLYARGHISGLYARGGLYTRPALAALATHRALAARGALAGLNILEILELEUSERVALGLYVALARGVALVALASPVALPROVALGLNALATRPGLYTRPLEUSERLEUALAALAGLYLEUAL... | 8.952975 | 0.461445 | T(36)-G(37)-S(38)-T(39)-N(40)-A(41)-D(42)-L(43)-L(58)-A(60)-Q(63)-T(64)-A(65)-G(66)-R(67)-G(68)-R(69)-H(70)-G(71)-R(72)-G(73)-W(74)-A(75)-A(76)-T(77)-Q(81)-I(82)-I(83)-L(84)-S(85)-V(86)-K(127)-W(128)-P(129)-N(130)-D(131)-V(132)-G(137)-K(138)-L(139)-A(140)-G(141)-I(142)-L(143)-A(144)-E(145)-V(152)-L(153)-G(154)-V(155)-G... |
2zdk | 19 | NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1 | ILEVALGLYGLYTYRTHRCYSGLYALAASNTHRVALPROTYRGLNVALSERLEUASNSERGLYTYRHISPHECYSGLYGLYSERLEUILEASNSERGLNTRPVALVALSERALAALAHISCYSTYRLYSSERGLYILEGLNVALARGLEUGLYGLUASPASNILEASNVALVALGLUGLYASNGLUGLNPHEILESERALASERLYSSERILEVALHISPROSERTYRASNSERASNTHRLEUASNASNASPILEMETLEUILELYSLEULYSSERALAALASERLEUASNSERARGVALALASERILESERLEUPROTH... | 7.245276 | 0.176925 | I(16)-V(17)-C(42)-A(55)-H(57)-C(58)-Y(94)-N(95)-S(96)-N(97)-T(98)-L(99)-N(100)-D(102)-I(138)-G(142)-N(143)-S(146)-L(158)-Y(172)-Q(175)-I(176)-M(180)-C(182)-A(183)-G(184)-K(188)-D(189)-S(190)-C(191)-Q(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-S(217)-G(219)-C(220)-A(221)-Q(221)-K(224)-P(2... |
3s8l | 15 | CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCC1 | GLUMETLYSPROHISPROTRPPHEPHEGLYLYSILEPROARGALALYSALAGLUGLUMETLEUSERLYSGLNARGHISASPGLYALAPHELEUILEARGGLUSERGLUSERALAPROGLYASPPHESERLEUSERVALLYSPHEGLYASNASPVALGLNHISPHELYSVALLEUARGASPGLYALAGLYLYSTYRPHELEUTRPVALVALLYSPHEASNSERLEUASNGLULEUVALASPTYRHISARGSERTHRSERVALSERARGASNGLNGLNILEPHELEUARGASPILEGLUGLNVAL | 5.329703 | 0.254236 | I(65)-P(66)-R(67)-A(68)-A(70)-E(71)-R(86)-E(87)-S(88)-E(89)-S(90)-A(91)-P(92)-D(94)-F(95)-S(96)-L(97)-S(98)-V(99)-V(105)-Q(106)-H(107)-F(108)-K(109)-V(110)-L(111)-F(119)-L(120)-W(121)-V(122)-L(131)-H(135)-V(140)-S(141)-R(142)-N(143)-Q(144)-I(146) |
5c8n | 15 | COC1(CC[NH3+])CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 | GLYGLUALAPROASNGLNALALEULEUARGILELEULYSGLUTHRGLUPHELYSLYSILELYSVALLEUGLYSERGLYALAPHEGLYTHRVALTYRLYSGLYLEUTRPILEPROGLUGLYGLULYSVALLYSILEPROVALALAILELYSGLULEUTHRSERPROLYSALAASNLYSGLUILELEUASPGLUALATYRVALMETALASERVALASPASNPROHISVALCYSARGLEULEUGLYILECYSLEUTHRSERTHRVALGLNLEUILEMETGLNLEUMETPROPHEGLYCYSLEULEUASPTYRVALARGGLUHI... | 7.993778 | 0.165769 | V(717)-L(718)-G(719)-S(720)-G(721)-F(723)-G(724)-T(725)-V(726)-Y(727)-K(728)-G(729)-P(741)-V(742)-A(743)-I(744)-K(745)-E(746)-I(759)-E(762)-M(766)-V(774)-C(775)-R(776)-L(777)-L(778)-L(788)-I(789)-M(790)-Q(791)-L(792)-M(793)-P(794)-F(795)-G(796)-C(797)-L(798)-D(800)-D(837)-R(841)-N(842)-V(843)-L(844)-V(845)-K(846)-K(852... |
4mrw | 16 | Oc1ccnc2cc(Cl)ccc12 | ALAGLYTHRSERILECYSTHRSERGLUGLUTRPGLNGLYLEUMETGLNPHETHRLEUPROVALARGLEUCYSLYSGLUILEGLULEUPHEHISPHEASPILEGLYPROPHEGLUASNMETTRPPROGLYILEPHEVALTYRMETVALHISARGSERCYSGLYTHRSERCYSPHEGLULEUGLULYSLEUCYSARGPHEILEMETSERVALLYSLYSASNTYRARGARGVALPROTYRHISASNTRPLYSHISALAVALTHRVALALAHISCYSMETTYRALAILELEUGLNASNASNHISTHRLEUPHETHRASPLEUGL... | 5.391744 | 0.226622 | Y(524)-H(525)-H(529)-L(635)-T(671)-A(672)-C(673)-D(674)-L(675)-C(676)-S(677)-V(678)-T(679)-K(680)-T(685)-T(688)-A(689)-I(692)-Y(693)-F(696)-M(713)-V(722)-G(725)-Q(726)-L(727)-G(728)-F(729)-Y(730)-V(733)-A(734)-Y(738)-W(762) |
3cfn | 19 | O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12 | CYSPROLEUMETVALLYSVALLEUASPALAVALARGGLYSERPROALAILEASNVALALAVALHISVALPHEARGLYSALAALAASPASPTHRTRPGLUPROPHEALASERGLYLYSTHRSERGLUSERGLYGLULEUHISGLYLEUTHRTHRGLUGLUGLUPHEVALGLUGLYILETYRLYSVALGLUILEASPTHRLYSSERTYRTRPLYSALALEUGLYILESERPROPHEHISGLUHISALAGLUVALVALPHETHRALAASNASPSERGLYPROARGARGTYRTHRILEALAALALEULEUSERPROTYRSERTY... | 6.126936 | 0.327978 | M(13)-V(14)-K(15)-V(16)-L(17)-A(19)-E(54)-Y(105)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-S(117)-T(118)-T(119)-A(120)-V(121)-V(122)-T(123)-S(115)-V(14)-K(15)-V(16)-L(17)-D(18)-G(22)-S(23)-P(24)-A(25)-I(26)-T(49)-E(51)-S(52)-G(53)-E(54)-L(55)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-S(117)-T(118)-T(119)-A(120)-V(121)-... |
6q4g | 10 | Nc1nc(-c2cccc(CC(=O)[O-])c2)c2[nH]cnc2n1 | METGLUASNPHEGLULYSVALGLULYSILEGLYGLUGLYTHRTYRGLYVALVALTYRLYSALAARGASNLYSLEUTHRGLYGLUVALVALALALEULYSLYSILEARGLEUASPPROSERTHRALAILEARGGLUILESERLEULEULYSGLULEUASNHISPROASNILEVALLYSLEULEUASPVALILEHISTHRGLUASNLYSLEUTYRLEUVALPHEGLUPHELEUHISGLNASPLEULYSLYSPHEMETASPALASERALALEUTHRGLYILEPROLEUPROLEUILELYSSERTYRLEUPHEGLNLEULEUGL... | 7.318639 | 0.224692 | K(9)-I(10)-G(11)-E(12)-G(13)-T(14)-Y(15)-G(16)-V(17)-V(18)-Y(19)-K(20)-V(29)-V(30)-A(31)-L(32)-K(33)-V(64)-K(65)-L(78)-V(79)-F(80)-E(81)-F(82)-L(83)-H(84)-Q(85)-D(86)-H(125)-D(127)-L(128)-K(129)-P(130)-Q(131)-N(132)-L(133)-L(134)-I(135)-K(142)-L(143)-A(144)-D(145)-L(148)-T(165) |
3ip9 | 17 | [NH3+]CCCC(=O)[O-] | METASPVALVALILEALAVALGLYALAPROLEUTHRGLYPROASNALAALAPHEGLYALAGLNILEGLNLYSGLYALAGLUGLNALAALALYSASPILEASNALAALAGLYGLYILEASNGLYGLUGLNILELYSILEVALLEUGLYASPASPVALSERASPPROLYSGLNGLYILESERVALALAASNLYSPHEVALALAASPGLYVALLYSPHEVALVALGLYHISPHEASNSERGLYVALSERILEPROALASERGLUVALTYRALAGLUASNGLYILELEUGLUILETHRPROALAALATHRASNPROVALPHETH... | 5.281741 | 0.222272 | N(15)-F(18)-Q(21)-I(22)-S(53)-H(76)-F(77)-N(78)-S(79)-G(80)-V(81)-S(82)-I(83)-T(98)-P(99)-A(100)-A(101)-T(102)-N(103)-P(104)-F(106)-R(116)-C(118)-G(119)-R(120)-D(121)-Q(124)-D(146)-T(148)-P(149)-Y(150)-G(151)-L(154)-G(201)-L(202)-H(203)-G(225)-D(226)-G(227)-I(228)-V(229)-T(247)-F(248)-G(249)-A(274)-Y(275)-Y(330) |
4m8y | 10 | CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC | PROGLNILETHRLEUTRPGLNARGPROPHEVALTHRVALLYSILEALAGLYGLNLEUMETGLUALALEULEUASPTHRGLYALAASPASPTHRILELEUGLUGLUGLUMETSERLEUPROGLYARGTRPTHRPROLYSVALVALGLYGLYILEGLYGLYPHEMETLYSVALARGGLNTYRASPGLNILELEUVALGLUILECYSGLYHISLYSVALILEGLYTHRVALLEUVALGLYPROTHRPROALAASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPGL... | 7.575179 | 0.089376 | R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-I(32)-K(46)-V(47)-V(48)-G(49)-G(50)-I(51)-G(52)-G(53)-F(54)-M(55)-L(77)-T(81)-P(82)-A(83)-N(84)-I(85)-I(86)-G(87)-R(88)-N(89)-R(8)-F(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-I(32)-E(34)-K(46)-V(47)-V(48)-G(49)-G(50)-I(51)-G(52)-G(53)-M(55)-V(57... |
4iic | 13 | OC[C@H]1C[NH2+]C[C@@H](O)[C@@H]1O | LEUALAPHESERPROPROPHETYRPROSERPROTRPALAASNGLYGLNGLYGLUTRPALAGLUALATYRGLNARGALAVALALAILEVALSERGLNMETTHRLEUASPGLULYSVALASNLEUTHRTHRGLYTHRGLYTRPGLULEUGLULYSCYSVALGLYGLNTHRGLYGLYVALPROARGLEUASNILEGLYGLYMETCYSLEUGLNASPSERPROLEUGLYILEARGASPSERASPTYRASNSERALAPHEPROALAGLYVALASNVALALAALATHRTRPASPLYSASNLEUALATYRLEUARGGLYGLNALAME... | 5.499281 | 0.073152 | W(68)-V(74)-G(75)-L(90)-Q(91)-D(92)-S(93)-P(94)-R(98)-D(99)-Q(140)-L(141)-G(142)-A(144)-G(146)-P(147)-R(156)-E(159)-T(187)-K(189)-H(190)-N(194)-E(197)-R(200)-Q(201)-E(204)-M(245)-C(246)-S(247)-Y(248)-M(278)-S(279)-D(280)-W(281)-G(282)-A(283)-M(299)-P(300)-F(305)-W(358)-G(450)-S(451)-G(452)-T(453)-E(509)-G(510)-Y(511) |
5ouh | 67 | C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 | GLYGLUPHEGLNARGLYSLEUTYRLYSGLULEUVALLYSASNTYRASNPROASPVALILEPROTHRGLNARGASPARGPROVALTHRVALTYRPHESERLEUSERLEULEUGLNILEMETASPVALASPGLULYSASNGLNVALVALASPVALVALILETRPLEUGLNMETSERTRPTHRASPHISTYRLEUGLNTRPASNVALSERGLUTYRPROGLYVALLYSGLNVALSERVALPROILESERSERLEUTRPLYSPROASPILELEULEUTYRASNALAILEGLUARGPROGLUVALLEUTHRPROGLNLEUALALE... | 5.541136 | 0.22391 | D(87)-L(89)-L(90)-Y(91)-N(92)-K(141)-G(143)-S(144)-W(145)-T(146)-H(147)-H(148)-R(182)-Y(184)-E(185)-C(186)-C(187)-E(189)-P(190)-Y(191)-P(192)-S(34)-L(36)-V(51)-I(52)-W(53)-L(54)-Q(55)-M(56)-Q(75)-V(76)-S(77)-V(78)-T(101)-P(102)-Q(103)-L(104)-A(105)-L(106)-V(107)-V(113)-Q(114)-Y(115)-L(116)-P(117)-S(118)-I(119)-G(163) |
3f8c | 21 | CCOc1ccc(-c2nc3cc(-c4nc5ccc(N6CC[NH+](C)CC6)cc5[nH]4)ccc3[nH]2)cc1 | GLUILEPROLYSGLUMETLEUARGALAGLNTHRASNVALILELEULEUASNVALLEULYSGLNGLYASPASNTYRVALTYRGLYILEILELYSGLNVALLYSGLUALASERASNGLYGLUMETGLULEUASNGLUALATHRLEUTYRTHRILEPHELYSARGLEUGLULYSASPGLYILEILESERSERTYRTRPGLYASPGLUGLYARGARGLYSTYRTYRARGLEUTHRGLUILEGLYHISGLUASNMETARGLEUALAPHEGLUSERTRPSERARGVALASPLYSILEILEGLUASNLEUGLUALAGLUILEPROLY... | 6.13433 | 0.347454 | E(3)-I(4)-P(5)-M(8)-R(10)-A(11)-Q(12)-T(13)-N(14)-V(15)-I(16)-L(18)-N(19)-K(22)-R(56)-L(57)-D(60)-I(62)-I(63)-L(81)-I(84)-G(85)-H(86)-E(87)-N(88)-M(89)-R(90)-L(91)-A(92)-F(93)-E(94)-S(95)-W(96)-S(97)-V(99)-D(100)-I(103)-E(3)-I(4)-P(5)-M(8)-A(11)-Q(12)-N(14)-V(15)-I(16)-L(18)-N(19)-K(22)-L(57)-D(60)-I(62)-I(63)-L(81)-I(... |
6o48 | 10 | CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(C)C)C(N)=O | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALILEGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEILEILEGLUILEALAGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYALATHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 8.408996 | 0.408972 | R(8)-L(10)-L(23)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)-V(56)-L(76)-T(80)-P(81)-V(82)-N(83)-I(84)-I(85)-G(86)-R(87)-R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-D(30)-T(31)-V(32)-K(43)-P(44)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54... |
6gjl | 11 | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc1nn[nH]n1 | METVALASNPROTHRVALPHEPHEASPILEALAVALASPGLYGLUPROLEUGLYARGVALSERPHEGLULEUPHEALAASPLYSVALPROLYSTHRALAGLUASNPHEARGALALEUSERTHRGLYGLULYSGLYPHEGLYTYRLYSGLYSERCYSPHEHISARGILEILEPROGLYPHEMETCYSGLNGLYGLYASPPHETHRARGHISASNGLYTHRGLYGLYLYSSERILETYRGLYGLULYSPHEGLUASPGLUASNPHEILELEULYSHISTHRGLYPROGLYILELEUSERMETALAASNALAGLYPROASNTH... | 6.821381 | 0.560178 | H(54)-R(55)-I(57)-F(60)-M(61)-C(62)-Q(63)-G(64)-G(65)-D(66)-N(71)-G(72)-T(73)-G(74)-G(75)-K(76)-S(77)-E(81)-K(82)-F(83)-H(92)-S(99)-M(100)-A(101)-N(102)-A(103)-G(104)-T(107)-N(108)-G(109)-S(110)-Q(111)-F(112)-F(113)-I(114)-C(115)-T(119)-W(121)-L(122)-K(125)-H(126)-N(149)-G(150) |
6r9u | 11 | CCN1Cc2cc3c(cc2NCCC1=O)OCO3 | GLYASNPROLEUVALTYRLEUASPVALASPALAASNGLYLYSPROLEUGLYARGVALVALLEUGLULEULYSALAASPVALVALPROLYSTHRALAGLUASNPHEARGALALEUCYSTHRGLYGLULYSGLYPHEGLYTYRLYSGLYSERTHRPHEHISARGVALILEPROSERPHEMETCYSGLNALAGLYASPPHETHRASNHISASNGLYTHRGLYGLYLYSSERILETYRGLYSERARGPHEPROASPGLUASNPHETHRLEULYSHISVALGLYPROGLYVALLEUSERMETALAASNALAGLYPROASNTHRAS... | 5.359693 | 0.493087 | H(96)-R(97)-Q(105)-A(106)-D(108)-T(110)-N(111)-N(113)-G(114)-T(115)-G(116)-G(117)-K(118)-S(119)-G(122)-S(123)-R(124)-F(125)-M(142)-A(143)-N(144)-A(145)-G(146)-P(147)-N(148)-T(149)-N(150)-G(151)-S(152)-Q(153)-F(154)-H(168) |
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