protein_id stringlengths 4 4 | n_samples int64 79 222 | ligand_smi stringlengths 28 501 | protein_aa stringlengths 234 12.1k | npkd float64 2.6 9.56 | std float64 0.02 1.34 | pocket stringlengths 135 713 |
|---|---|---|---|---|---|---|
2p7a | 134 | [H]Oc1c([H])c([H])c(Cl)c(C([H])([H])[H])c1[H] | TYRASNLYSILEVALSERHISLEULEUVALALAGLUPROGLULYSILETYRALAMETPROASPPROTHRVALPROASPSERASPILELYSALALEUTHRTHRLEUCYSASPLEUALAASPARGGLULEUVALVALILEILEGLYTRPALALYSHISILEPROGLYPHESERTHRLEUSERLEUALAASPGLNMETSERLEULEUGLNSERALATRPMETGLUILELEUILELEUGLYVALVALTYRARGSERLEUSERPHEGLUASPGLULEUVALTYRALAASPASPTYRILEMETASPGLUASPGLNSERLYSLEUAL... | 6.128022 | 0.072561 | I(249)-A(251)-A(264)-L(265)-T(267)-L(268)-C(269)-D(270)-L(271)-A(272)-D(273)-R(274)-E(275)-L(276)-I(279)-W(305)-M(306)-E(307)-I(308)-L(309)-I(310)-L(311)-G(312)-V(313)-V(314)-R(316)-L(324)-V(325)-Y(326)-A(327)-Y(330)-L(342)-L(345)-N(346)-I(349)-T(427)-S(428)-A(431)-V(432)-H(434)-F(435)-F(450)-L(454) |
4xiq | 136 | [H]c1c([H])c2c(c([H])c1C(=O)N([H])[H])OC([H])([H])C([H])([H])C1=C(C([H])([H])[H])C3=C(N12)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3=O | GLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALE... | 7.354269 | 0.359513 | F(22)-Q(23)-I(26)-L(29)-E(47)-L(48)-I(49)-S(50)-N(51)-S(52)-S(53)-D(54)-A(55)-L(56)-K(58)-I(91)-V(92)-D(93)-T(94)-G(95)-I(96)-G(97)-M(98)-T(99)-K(100)-A(101)-D(102)-L(103)-I(104)-N(105)-N(106)-L(107)-G(108)-T(109)-I(110)-A(111)-K(112)-G(114)-T(115)-F(134)-G(135)-V(136)-G(137)-F(138)-Y(139)-Y(142)-V(148)-T(149)-V(150)-I... |
4hj2 | 132 | [H]c1c([H])c(C([H])([H])C([H])([H])C([H])([H])C(=O)[O-])c([H])c([H])c1N(C([H])([H])C([H])([H])Cl)C([H])([H])C([H])([H])SC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)[O-])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[O-])[N+]([H])([H])[H] | LYSPROLYSLEUHISTYRPHEASNALAARGGLYARGMETGLUSERTHRARGTRPLEULEUALAALAALAGLYVALGLUPHEGLUGLULYSPHEILELYSSERALAGLUASPLEUASPLYSLEUARGASNASPGLYTYRLEUMETPHEGLNGLNVALPROMETVALGLUILEASPGLYMETLYSLEUVALGLNTHRARGALAILELEUASNTYRILEALASERLYSTYRASNLEUTYRGLYLYSASPILELYSGLUARGALALEUILEASPMETTYRILEGLUGLYILEALAASPLEUGLYGLUMETILELEULEULEUPR... | 6.066263 | 0.308443 | Y(9)-F(10)-A(12)-R(13)-G(14)-R(15)-M(16)-E(17)-I(35)-L(41)-D(42)-L(44)-R(45)-L(50)-F(52)-Q(53)-Q(54)-V(55)-P(56)-M(57)-L(65)-V(66)-Q(67)-T(68)-R(69)-A(70)-I(71)-L(72)-G(103)-E(104)-M(105)-I(106)-L(107)-L(108)-L(109)-P(110)-V(111)-C(112)-K(117)-K(120)-I(124)-Y(166)-E(169)-L(170)-P(206)-P(207)-M(208)-D(209)-S(212)-L(213)... |
4r75 | 161 | [H]OC([H])([H])[C@@]1(O[H])O[C@]([H])([C@]([H])(O[H])C([H])([H])OP(=O)([O-])[O-])[C@@]([H])(O[H])[C@]1([H])O[H] | LYSGLYARGLEUVALILETYRCYSSERALATHRASNVALMETCYSGLUASNALAALALYSTHRPHEGLUGLNLYSTYRASPVALLYSTHRSERPHEILEARGASNGLYSERGLYSERTHRPHEALALYSILEGLUALAGLULYSASNASNPROGLNALAASPVALTRPTYRGLYGLYTHRLEUASPPROGLNSERGLNALAGLYGLULEUGLYLEULEUGLUALATYRARGSERPROASNILEASPGLNILEMETPROLYSPHEGLNASPPROALALYSVALLYSGLYASNLEUSERSERALAVALTYRILEGLYILELE... | 5.695751 | 0.236216 | C(8)-S(9)-A(10)-T(11)-N(12)-M(14)-R(34)-N(35)-G(36)-S(37)-G(38)-S(39)-T(40)-F(41)-W(56)-Y(57)-G(58)-G(59)-T(60)-L(61)-D(62)-P(63)-Q(64)-V(102)-Y(103)-I(104)-G(105)-I(106)-A(143)-D(144)-S(147)-S(148)-G(149)-T(150)-A(151)-Y(152)-T(153)-A(154)-T(182)-K(183)-S(184)-G(185)-I(186)-T(187)-A(189)-G(202)-F(203)-L(204)-H(205)-D(... |
3i3b | 128 | [H]OC([H])([H])[C@@]1([H])OC(=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] | ARGARGASPTRPGLUASNPROGLYVALTHRGLNLEUASNARGLEUALAALAHISPROPROPHEALASERTRPARGASNSERGLUGLUALAARGTHRASPARGPROSERGLNGLNLEUARGSERLEUASNGLYGLUTRPARGPHEALATRPPHEPROALAPROGLUALAVALPROGLUSERTRPLEUGLUCYSASPLEUPROGLUALAASPTHRVALVALVALPROSERASNTRPGLNMETHISGLYTYRASPALAPROILETYRTHRASNVALTHRTYRPROILETHRVALASNPROPROPHEVALPROTHRGLUASNPR... | 5.551237 | 1.074682 | Y(100)-T(101)-N(102)-V(103)-D(199)-Q(200)-D(201)-M(202)-R(204)-N(355)-H(357)-R(388)-S(390)-H(391)-E(412)-E(416)-H(418)-M(423)-G(459)-N(460)-E(461)-E(487)-M(502)-Y(503)-K(517)-C(536)-E(537)-Y(538)-H(540)-A(541)-A(542)-W(568)-D(569)-Q(573)-Q(600)-F(601)-C(602)-M(603)-N(604)-S(796)-D(997)-S(998)-W(999)-E(281) |
6d1g | 158 | [H]C1=C(C([H])([H])P(=O)([O-])[O-])c2c(Br)c([H])c(C([H])([H])[H])c([H])c2OC1=O | GLYASPGLNARGPHEGLYASPLEUVALPHEARGGLNLEUALAPROASNVALTRPGLNHISTHRSERTYRLEUASPMETPROGLYPHEGLYALAVALALASERASNGLYLEUILEVALARGASPGLYGLYARGVALLEUVALVALASPTHRALATRPTHRASPASPGLNTHRALAGLNILELEUASNTRPILELYSGLNGLUILEASNLEUPROVALALALEUALAVALVALTHRHISALAHISGLNASPLYSMETGLYGLYMETASPALALEUHISALAALAGLYILEALATHRTYRALAASNALALEUSERASNGLNLE... | 5.304979 | 0.511576 | 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) |
4qtl | 140 | [H]OC([H])([H])C([H])([H])S(=O)(=O)c1c(F)c(F)c(S(=O)(=O)N([H])[H])c(F)c1N([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] | HISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVALAS... | 4.341606 | 0.228127 | W(5)-Y(7)-S(29)-P(30)-R(58)-L(60)-N(61)-N(62)-G(63)-H(64)-A(65)-F(66)-N(67)-V(68)-E(69)-F(70)-D(72)-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)-G(132)-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(... |
2flr | 128 | [H]Oc1c(C2=C([H])c3c([H])nc([H])c([H])c3N2[H])c([H])c([H])c([H])c1-c1c([H])c([H])c([H])c(C([H])([H])N([H])C(=O)N([H])[H])c1[H] | GLYASPGLNCYSALASERSERPROCYSGLNASNGLYGLYSERCYSLYSASPGLNLEUGLNSERTYRILECYSPHECYSLEUPROALAPHEGLUGLYARGASNCYSGLUTHRHISLYSASPASPGLNLEUILECYSVALASNGLUASNGLYGLYCYSGLUGLNTYRCYSSERASPHISTHRGLYTHRLYSARGSERCYSARGCYSHISGLUGLYTYRSERLEULEUALAASPGLYVALSERCYSTHRPROTHRVALGLUTYRPROCYSGLYLYSILEPROILELEUGLUILEVALGLYGLYLYSVALCYSPROLYSGLYGL... | 6.561129 | 0.207236 | I(16)-V(17)-L(33)-V(35)-Q(40)-L(41)-C(42)-G(43)-A(55)-A(56)-H(57)-C(58)-F(59)-D(60)-K(60)-I(60)-Y(94)-V(95)-P(96)-G(97)-T(98)-T(99)-D(102)-V(138)-G(142)-Q(143)-D(146)-R(147)-D(170)-D(189)-S(190)-C(191)-K(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-Q(217)-G(219)-C(220)-A(221)-T(221)-F(225)... |
3zcl | 153 | [H]C1=C([H])C(N([H])C([H])(C([H])([H])[H])C([H])([H])[H])=NN2C1=NN=C2[C@]([H])(C1=C([H])N([H])c2nc([H])c([H])c([H])c21)C([H])([H])[H] | HISILEASPLEUSERALALEUASNPROGLULEUVALGLNALAVALGLNHISVALVALILEGLYPROSERSERLEUILEVALHISPHEASNGLUVALILEGLYARGGLYHISPHEGLYCYSVALTYRHISGLYTHRLEULEUASPLYSLYSILEHISCYSALAVALLYSSERLEUASNARGILETHRASPILEGLYGLUVALSERGLNPHELEUTHRGLUGLYILEILEMETLYSASPPHESERHISPROASNVALLEUSERLEULEUGLYILECYSLEUARGSERGLUGLYSERPROLEUVALVALLEUPROTYRMETLY... | 9.108416 | 0.047881 | V(1083)-I(1084)-G(1085)-R(1086)-G(1087)-C(1091)-V(1092)-Y(1093)-H(1094)-G(1095)-H(1106)-C(1107)-A(1108)-V(1109)-K(1110)-S(1111)-M(1131)-L(1140)-S(1141)-L(1143)-V(1155)-V(1156)-L(1157)-P(1158)-Y(1159)-M(1160)-K(1161)-H(1162)-G(1163)-D(1164)-L(1165)-R(1166)-N(1167)-F(1168)-H(1202)-D(1204)-A(1206)-A(1207)-R(1208)-N(1209)-... |
3ejr | 115 | [H]O[C@@]1([H])[C@@]2([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])C(=O)c3c([H])c([H])c(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c3[H])[N@+]2([H])C([H])([H])[C@@]1([H])O[H] | GLNCYSGLNASPVALVALGLNASPVALPROASNVALASPVALGLNMETLEUGLULEUTYRASPARGMETSERPHELYSASPILEASPGLYGLYVALTRPLYSGLNGLYTRPASNILELYSTYRASPPROLEULYSTYRASNALAHISHISLYSLEULYSVALPHEVALVALPROHISSERHISASNASPPROGLYTRPILEGLNTHRPHEGLUGLUTYRTYRGLNHISASPTHRLYSHISILELEUSERASNALALEUARGHISLEUHISASPASNPROGLUMETLYSPHEILETRPALAGLUILESERTYRPHEALAAR... | 5.475114 | 0.299589 | H(90)-N(91)-D(92)-P(93)-G(94)-W(95)-I(96)-Y(102)-E(130)-M(167)-I(203)-D(204)-P(205)-F(206)-Q(227)-R(228)-Y(267)-S(268)-Y(269)-P(298)-D(340)-D(341)-F(342)-Y(407)-D(409)-R(410)-W(415)-Y(418)-H(470)-H(471)-D(472)-G(473)-T(475)-G(476)-T(477)-A(478)-A(726)-Y(727)-D(873)-D(874)-E(875)-R(876)-G(877)-L(878)-G(879) |
5vm0 | 106 | [H]c1c([H])c(N([H])C(=O)N([H])c2c([H])c([H])c(Cl)c(Cl)c2[H])c([H])c([H])c1Cl | ALAGLUVALGLNLEUVALGLUSERGLYGLYGLYLEUVALGLNTHRGLYASPSERLEUARGLEUSERCYSALAALASERGLYARGTHRTYRTHRPROTYRALAMETALATRPPHEARGGLNALAPROGLYLYSGLUARGGLUPHEVALALAGLYILEGLYGLYILEASPGLYTHRALAALATYRALAASPSERVALARGGLYARGALATHRILESERARGASPSERALALYSLYSTHRVALTYRLEUGLNMETASNSERLEULYSPROGLUASPTHRALAVALTYRSERCYSALATHRARGALASERMETGLNVALLEUTH... | 6.584103 | 0.33395 | A(2)-E(3)-V(4)-Q(5)-L(6)-C(24)-A(25)-A(26)-S(27)-G(28)-R(29)-T(30)-Y(31)-T(32)-P(33)-Y(34)-A(35)-M(36)-A(37)-I(53)-G(54)-G(55)-S(73)-R(74)-D(75)-S(76)-A(77)-K(78)-K(79)-T(80)-V(81)-Y(82)-C(98)-A(99)-T(100)-R(101)-A(102)-S(103)-V(112)-Y(113)-P(114)-I(115) |
3rm9 | 153 | [H]c1c([H])c(N2C([H])([H])C([H])([H])N(C(N([H])[H])=[N+]([H])[H])C([H])([H])C2([H])[H])c([H])c([H])c1Cl | TYRGLNLEUTHRCYSTYRPHETHRASNTRPALAGLNTYRARGPROGLYLEUGLYARGPHEMETPROASPASPILEASNPROCYSLEUCYSTHRHISLEUILETYRALAPHEALAGLYMETGLNASNASNGLUILETHRTHRILEGLUTRPASNASPVALTHRLEUTYRGLNALAPHEASNGLYLEULYSASNLYSASNSERGLNLEULYSTHRLEULEUALAILEGLYGLYTRPASNPHEGLYTHRALAPROPHETHRALAMETVALSERTHRPROGLUASNARGGLNTHRPHEILETHRSERVALILELYSPHELEUAR... | 6.219754 | 0.313575 | T(29)-W(31)-A(32)-R(35)-F(58)-G(98)-W(99)-N(100)-D(138)-E(140)-Y(141)-R(145)-A(183)-A(185)-M(210)-Y(212)-D(213)-W(218)-N(225)-P(265)-T(266)-Y(267)-G(268)-H(269)-G(292)-Y(294)-A(295)-K(296)-E(297)-S(298)-G(299)-I(300)-W(301)-A(302)-Y(303)-Y(304)-E(305)-M(358)-W(360)-A(361)-D(363)-L(364) |
5f63 | 141 | [H]c1nc(N([H])c2c([H])c([H])c(C(=O)N([H])[C@]3([H])C([H])([H])C([H])([H])[N@@+]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])c(F)c2[H])nc(N([H])c2c([H])c([H])c(Cl)c(N([H])S(=O)(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c2[H])c1C([H])([H])[H] | SERMETASNPROPROPROPROGLUTHRSERASNPROASNLYSPROLYSARGGLNTHRASNGLNLEUGLNTYRLEULEUARGVALVALLEULYSTHRLEUTRPLYSHISGLNPHEALATRPPROPHEGLNGLNPROVALASPALAVALLYSLEUASNLEUPROASPTYRTYRLYSILEILELYSTHRPROMETASPMETGLYTHRILELYSLYSARGLEUGLUASNASNTYRTYRTRPASNALAGLNGLUCYSILEGLNASPPHEASNTHRMETPHETHRASNCYSTYRILETYRASNLYSPROGLYASPASPILEVALLE... | 7.986182 | 0.301684 | F(79)-A(80)-W(81)-P(82)-F(83)-Q(84)-Q(85)-P(86)-V(87)-D(88)-A(89)-K(91)-L(92)-N(93)-L(94)-P(95)-D(96)-Y(97)-Y(98)-I(101)-M(105)-D(106)-M(107)-M(132)-F(133)-N(135)-C(136)-Y(137)-Y(139)-N(140)-K(141)-D(144)-D(145)-I(146)-V(147)-L(148)-M(149)-A(150) |
3slz | 141 | [H]O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])c1c([H]... | GLUPROPROPROGLUPROARGILETHRLEULYSVALGLYGLYGLNPROVALTHRPHELEUVALASPTHRGLYALAGLNHISSERVALLEUTHRGLNASNPROGLYPROLEUSERASPLYSSERALATRPVALGLNGLYALATHRGLYGLYLYSARGTYRARGTRPTHRTHRASPARGLYSVALHISLEUALATHRGLYLYSVALTHRHISSERPHELEUHISVALPROASPCYSPROTYRPROLEULEUGLYARGASPLEULEUTHRLYSLEULYSALAGLNILEHISPHEGLUGLYSERGLYALAGLNVALVALGLYPR... | 8.799133 | 0.392692 | P(13)-P(14)-L(30)-V(31)-D(32)-T(33)-G(34)-A(35)-Q(36)-H(37)-S(38)-V(39)-T(41)-S(51)-A(52)-W(53)-V(54)-Q(55)-G(56)-A(57)-T(58)-G(59)-G(60)-K(61)-Y(63)-W(65)-L(83)-V(85)-D(87)-C(88)-P(89)-Y(90)-P(91)-L(92)-L(93)-G(94)-R(95)-P(13)-P(14)-L(30)-V(31)-D(32)-T(33)-G(34)-A(35)-Q(36)-H(37)-S(38)-V(39)-T(41)-S(51)-A(52)-W(53)-V(... |
1nc1 | 128 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=C([H])c3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])SC([H])([H])[H] | PHESERMETLYSILEGLYILEILEGLYALAMETGLUGLUGLUVALTHRLEULEUARGASPLYSILEGLUASNARGGLNTHRILESERLEUGLYGLYCYSGLUILETYRTHRGLYGLNLEUASNGLYTHRGLUVALALALEULEULYSSERGLYILEGLYLYSVALALAALAALALEUGLYALATHRLEULEULEUGLUHISCYSLYSPROASPVALILEILEASNTHRGLYSERALAGLYGLYLEUALAPROTHRLEULYSVALGLYASPILEVALVALSERASPGLUALAARGTYRHISASPALAASPVALTHRALAPH... | 6.845167 | 0.12494 | 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... |
1uz1 | 154 | [H]OC([H])([H])[C@@]1([H])C([H])([H])N([H])C(=O)[C@@]([H])(O[H])[C@]1([H])O[H] | VALLYSLYSPHEPROGLUGLYPHELEUTRPGLYVALALATHRALASERTYRGLNILEGLUGLYSERPROLEUALAASPGLYALAGLYMETSERILETRPHISTHRPHESERHISTHRPROGLYASNVALLYSASNGLYASPTHRGLYASPVALALACYSASPHISTYRASNARGTRPLYSGLUASPILEGLUILEILEGLULYSLEUGLYVALLYSALATYRARGPHESERILESERTRPPROARGILELEUPROGLUGLYTHRGLYARGVALASNGLNLYSGLYLEUASPPHETYRASNARGILEILEASPTHRLEULE... | 6.186803 | 0.246187 | A(15)-T(16)-A(17)-Y(19)-Q(20)-R(77)-T(118)-H(121)-W(122)-N(165)-E(166)-V(169)-H(180)-V(220)-N(222)-N(223)-N(293)-Y(294)-Y(295)-M(322)-W(324)-T(350)-E(351)-N(352)-G(353)-A(354)-A(355)-W(398)-S(399)-N(403)-F(404)-E(405)-W(406)-A(407)-E(408)-K(412)-F(414) |
5o2d | 156 | [H]c1c([H])c([H])c2c(c1[H])-c1c([H])c([H])c([H])c(-c3c([H])c([H])c([H])c([H])c3N([H])S(=O)(=O)C([H])([H])[H])c1N2[H] | SERTRPGLULYSGLYSERLEUVALSERPROGLYGLYLEUGLNMETLEULEUVALLYSGLUGLYVALGLNASNALALYSTHRASPVALVALVALASNSERVALPROLEUASPLEUVALLEUSERARGGLYPROLEUSERSERSERLEULEUGLULYSALAGLYPROGLULEUGLNGLUGLULEUASPTHRVALGLYGLNGLYVALALAVALSERMETGLYTHRVALLEULYSTHRSERSERTRPASNLEUASPCYSARGTYRVALLEUHISVALVALALAPROGLUTRPARGASNGLYSERTHRSERSERLEULYSILEME... | 7.454889 | 0.634337 | L(1017)-L(1018)-V(1019)-V(1023)-V(1031)-V(1032)-N(1033)-S(1034)-V(1035)-L(1046)-L(1090)-H(1091)-V(1092)-V(1093)-A(1094)-P(1095)-L(1105)-I(1107)-M(1108)-E(1109)-I(1111)-I(1112)-C(1115)-A(1128)-F(1129)-P(1130)-A(1131)-I(1132)-G(1133)-T(1134)-G(1135)-L(1137)-F(1139)-P(1140)-K(1141)-N(1142)-I(1143)-F(1144)-A(1145)-E(1146)-... |
6jb4 | 148 | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] | GLYPROVALILEARGVALALAGLYASPSERTHRALAVALGLYGLUGLYGLYARGTRPMETLYSGLUMETVALGLUALATRPGLYLYSLYSTHRGLYTHRARGVALGLUTYRILEASPSERPROALAASPTHRASNASPARGLEUALALEUTYRGLNGLNTYRTRPALAALAARGSERPROASPVALASPVALTYRMETILEASPVALILETRPPROGLYILEVALALAPROHISALALEUASPLEULYSPROTYRLEUTHRGLUALAGLULEULYSGLUPHEPHEPROARGILEVALGLNASNASNTHRILEARGGLYLY... | 5.979829 | 0.259839 | G(10)-D(11)-S(12)-A(14)-V(15)-G(16)-E(17)-G(18)-G(19)-P(43)-A(44)-D(45)-T(46)-N(47)-D(48)-R(49)-M(68)-I(69)-D(70)-V(71)-I(72)-W(73)-F(116)-T(117)-D(118)-A(119)-G(120)-Y(123)-Q(169)-Y(173)-E(174)-G(175)-L(176)-T(177)-C(178)-D(179)-A(229)-E(230)-E(231)-R(246)-N(247)-W(248)-P(249)-Y(250)-A(251)-L(254)-T(283)-L(284)-G(285)... |
184l | 199 | [H]c1c([H])c([H])c(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] | METASNILEPHEGLUMETLEUARGILEASPGLUGLYLEUARGLEULYSILETYRLYSASPTHRGLUGLYTYRTYRTHRILEGLYILEGLYHISLEULEUTHRLYSSERPROSERLEUASNALAALALYSSERGLULEUASPLYSALAILEGLYARGASNTHRASNGLYVALILETHRLYSASPGLUALAGLULYSLEUPHEASNGLNASPVALASPALAALAVALARGGLYILELEUARGASNALALYSLEULYSPROVALTYRASPSERLEUASPALAVALARGARGALAALAALAILEASNMETVALPHEGLNMETGL... | 5.670906 | 0.049384 | A(74)-V(75)-G(77)-I(78)-L(79)-N(81)-K(83)-L(84)-K(85)-P(86)-V(87)-Y(88)-D(89)-S(90)-L(91)-R(95)-R(96)-A(98)-A(99)-I(100)-N(101)-M(102)-V(103)-F(104)-M(106)-G(107)-E(108)-G(110)-V(111)-A(112)-G(113)-F(114)-T(115)-N(116)-S(117)-L(118)-R(119)-M(120)-L(121)-Q(122)-W(126)-A(129)-N(132)-L(133)-W(138)-V(149)-I(150)-F(153) |
6gzd | 150 | [H]C1=NN(C([H])([H])[H])C(C([H])([H])C2([H])C([H])([H])C2([H])[H])=C1c1nc(N([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])C2([H])[H])nc([H])c1F | ALAGLUPHEILEVALGLYGLYLYSTYRLYSLEUGLYARGLYSILEGLYSERGLYSERPHEGLYASPILETYRLEUALATHRASNILETHRASNGLYGLUGLUVALALAVALLYSLEUGLUSERGLNLYSALAARGHISPROGLNLEUHISTYRGLUSERLYSLEUTYRLYSILELEUGLNGLYGLYVALGLYILEPROHISILEARGTRPTYRGLYGLNGLULYSASPTYRASNVALLEUVALMETASPLEULEUGLYPROSERLEUGLUASPLEUPHEASNPHECYSSERARGARGPHETHRMETLYSTHRVALLEUME... | 7.679192 | 0.150702 | R(21)-K(22)-I(23)-G(24)-S(25)-G(26)-S(27)-F(28)-G(29)-D(30)-I(31)-Y(32)-L(33)-V(43)-A(44)-V(45)-K(46)-E(60)-Y(64)-P(74)-H(75)-I(76)-L(88)-V(89)-M(90)-D(91)-L(92)-L(93)-G(94)-P(95)-S(96)-L(97)-E(98)-D(99)-L(100)-K(138)-D(140)-N(141)-F(142)-L(143)-M(144)-I(146)-F(154)-I(156)-D(157)-F(158)-G(159) |
3k8q | 105 | [H]OC([H])([H])C([H])(C([H])([H])O[H])[N+]([H])([H])C([H])([H])C1=C([H])N([H])C2=C1N=C([H])N([H])C2=O | METGLUASNGLYTYRTHRTYRGLUASPTYRLYSASNTHRALAGLUTRPLEULEUSERHISTHRLYSHISARGPROGLNVALALAILEILECYSGLYSERGLYLEUGLYGLYLEUTHRASPLYSLEUTHRGLNALAGLNILEPHEASPTYRSERGLUILEPROASNPHEPROARGSERTHRVALPROGLYHISALAGLYARGLEUVALPHEGLYPHELEUASNGLYARGALACYSVALMETMETGLNGLYARGPHEHISMETTYRGLUGLYTYRPROLEUTRPLYSVALTHRPHEPROVALARGVALPHEHISLEULEUGL... | 5.745274 | 0.152276 | G(32)-S(33)-G(34)-R(84)-H(86)-Y(88)-E(89)-N(115)-A(116)-A(117)-G(118)-G(119)-L(120)-Y(192)-V(193)-M(194)-V(195)-A(196)-G(197)-P(198)-S(199)-F(200)-E(201)-C(206)-L(209)-A(216)-V(217)-G(218)-M(219)-S(220)-T(221)-S(239)-L(240)-I(241)-T(242)-N(243)-K(244)-V(245)-I(246)-A(255)-N(256)-H(257)-E(258)-E(259)-V(260)-L(261)-A(263... |
6b59 | 122 | [H]C1=Nc2c(N([H])[H])nc([H])nc2N1C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c1c([H])c([H])c(S(=O)(=O)N([H])[H])c([H])c1[H] | HISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVALAS... | 4.646872 | 0.189723 | W(5)-Y(7)-F(20)-S(29)-P(30)-N(62)-A(65)-N(67)-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)-D(130)-F(131)-G(132)-K(133)-A(134)-V(135)-Q(136)-L(141)-A(142)-V(143)-L(144)-S(197)-L(198)-T(199)-T(200)-P(201)-P(202)-L(203)-L(204)-C(206)-V(207)-W(209)-N(244)-R(246) |
1v2l | 185 | [H]c1c([H])c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c1[H] | ILEVALGLYGLYTYRTHRCYSGLYALAASNTHRVALPROTYRGLNVALSERLEUASNSERGLYTYRHISPHECYSGLYGLYSERLEUILEASNSERGLNTRPVALVALSERALAALAHISCYSTYRLYSSERGLYILEGLNVALARGLEUGLYGLUASPASNILEASNVALVALGLUGLYASNGLUGLNPHEILESERALASERLYSSERILEVALHISPROSERTYRASNSERGLUTHRTYRASNASNASPILEMETLEUILELYSLEULYSSERALAALASERLEUASNSERARGVALALASERILESERLEUPROTH... | 5.580923 | 0.029105 | I(16)-V(17)-H(57)-Y(99)-D(102)-I(138)-G(142)-N(143)-S(146)-Y(151)-L(158)-C(182)-A(183)-G(184)-K(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)-E(217)-G(219)-C(220)-A(221)-Q(221)-K(224)-P(225)-G(226)-V(227)-Y(228) |
3o99 | 126 | [H]O[C@]([H])(C([H])([H])N(C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])S(=O)(=O)c1c([H])c([H])c(N([H])[H])c([H])c1[H])[C@@]([H])(N([H])C(=O)O[C@@]1([H])C([H])([H])O[C@@]2([H])OC([H])([H])C([H])([H])[C@]21[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILEARGILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETASNLEUPROGLYLYSTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEPROILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 8.429604 | 0.199303 | 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(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)-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)-L(33)-K(45)-M(46)-I(47)-G(48)-G(49)-I(50)-G(51)-G(52)-F(53)-I(54)... |
2j77 | 138 | [H]OC([H])([H])[C@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])[N+]1([H])[H] | VALLYSLYSPHEPROGLUGLYPHELEUTRPGLYVALALATHRALASERTYRGLNILEGLUGLYSERPROLEUALAASPGLYALAGLYMETSERILETRPHISTHRPHESERHISTHRPROGLYASNVALLYSASNGLYASPTHRGLYASPVALALACYSASPHISTYRASNARGTRPLYSGLUASPILEGLUILEILEGLULYSLEUGLYVALLYSALATYRARGPHESERILESERTRPPROARGILELEUPROGLUGLYTHRGLYARGVALASNGLNLYSGLYLEUASPPHETYRASNARGILEILEASPTHRLEULE... | 6.098041 | 0.353278 | A(15)-T(16)-A(17)-Y(19)-Q(20)-R(77)-S(79)-T(118)-H(121)-W(122)-N(165)-E(166)-V(169)-V(170)-H(180)-V(220)-F(221)-N(222)-N(223)-N(293)-Y(294)-Y(295)-M(322)-W(324)-T(350)-E(351)-N(352)-G(353)-A(354)-A(355)-W(398)-S(399)-N(403)-F(404)-E(405)-W(406)-A(407)-E(408)-K(412)-F(414) |
5exm | 167 | [H]c1nc([C@@]([H])(N([H])C(=O)[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[N+]([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c(-c2c([H])c([H])c(N([H])C(=O)OC([H])([H])[H])c([H])c2[H])c1[H] | ILEVALGLYGLYTHRALASERVALARGGLYGLUTRPPROTRPGLNVALTHRLEUHISTHRTHRSERPROTHRGLNARGHISLEUCYSGLYGLYSERILEILEGLYASNGLNTRPILELEUTHRALAALAHISCYSPHETYRGLYVALGLUSERPROLYSILELEUARGVALTYRSERGLYILELEUASNGLNSERGLUILELYSGLUASPTHRSERPHEPHEGLYVALGLNGLUILEILEILEHISASPGLNTYRLYSMETALAGLUSERGLYTYRASPILEALALEULEULYSLEUGLUTHRTHRVALGLYTYRGLYAS... | 7.765534 | 0.482621 | I(16)-V(17)-T(32)-L(33)-H(34)-T(35)-T(37)-Q(38)-R(39)-H(40)-L(41)-C(42)-G(43)-A(55)-A(56)-H(57)-C(58)-F(58)-Y(58)-V(60)-Q(73)-A(97)-D(102)-V(138)-W(141)-G(142)-Y(143)-L(147)-D(149)-K(150)-I(151)-Q(152)-Y(171)-A(183)-K(188)-D(189)-A(190)-C(191)-K(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-T(213)-S(214)-W(215)-G(216)... |
2bvs | 81 | [H]c1c([H])c(SC([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C(=O)N([H])[H])C([H])([H])c2c([H])c([H])c(N([H])C(N([H])[H])=[N+]([H])[H])c([H])c2[H])c([H])c([H])c1Cl | ILEVALGLUGLYSERASPALAGLUILEGLYMETSERPROTRPGLNVALMETLEUPHEARGLYSSERPROGLNGLULEULEUCYSGLYALASERLEUILESERASPARGTRPVALLEUTHRALAALAHISCYSLEULEUTYRPROPROTRPASPLYSASNPHETHRGLUASNASPLEULEUVALARGILEGLYLYSHISSERARGTHRARGTYRGLUARGASNILEGLULYSILESERMETLEUGLULYSILETYRILEHISPROARGTYRASNTRPARGGLUASNLEUASPARGASPILEALALEUMETLYSLEULYSLY... | 5.600348 | 0.30919 | I(16)-V(17)-L(41)-C(42)-A(55)-A(56)-H(57)-C(58)-L(59)-L(60)-Y(60)-P(60)-P(60)-W(60)-K(60)-Y(94)-W(96)-E(97)-N(98)-L(99)-D(102)-V(138)-G(142)-N(143)-K(145)-E(146)-T(147)-L(160)-I(174)-F(181)-C(182)-A(183)-D(189)-A(190)-C(191)-E(192)-G(193)-D(194)-S(195)-G(196)-G(197)-F(199)-I(212)-V(213)-S(214)-W(215)-G(216)-E(217)-G(21... |
1q72 | 113 | [H]c1c([H])c([H])c(C(=O)O[C@@]2([H])C([H])([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@@]2([H])C(=O)OC([H])([H])[H])[N@@+]3([H])C([H])([H])[H])c([H])c1[H] | ASPILEVALMETTHRGLNALAALAPROSERVALPROVALTHRPROGLYGLUSERVALSERILESERCYSARGSERSERLYSSERLEULEUHISSERASNGLYTYRTHRTYRLEUHISTRPPHELEUGLNARGPROGLYGLNSERPROGLNLEULEUILETYRARGVALSERASNLEUALASERGLYVALPROASPARGPHESERGLYSERGLYSERGLYTHRALAPHETHRLEUARGPHESERARGVALGLUALAGLUASPVALGLYVALTYRTYRCYSMETGLNHISLEUGLUTYRPROPHETHRPHEGLYSERGLYTH... | 5.510424 | 0.180523 | T(28)-S(30)-D(31)-A(32)-W(33)-V(34)-D(35)-E(50)-I(51)-R(52)-N(52)-A(52)-N(53)-K(58)-R(71)-S(94)-V(95)-P(96)-Q(97)-L(98)-G(99)-R(100)-G(100)-F(100)-L(27)-H(27)-S(27)-N(28)-Y(30)-Y(32)-H(34)-Y(49)-R(50)-M(89)-Q(90)-H(91)-L(92)-E(93)-Y(94)-F(96) |
3i5z | 151 | [H]OC([H])([H])[C@]([H])(c1c([H])c([H])c([H])c([H])c1[H])N([H])C(=O)C1=C([H])C(c2nc(N([H])c3c([H])c([H])c([H])c([H])c3[H])nc([H])c2C([H])([H])[H])=C([H])N1[H] | GLYALAGLYPROGLUMETVALARGGLYGLNVALPHEASPVALGLYPROARGTYRTHRASNLEUSERTYRILEGLYGLUGLYALATYRGLYMETVALCYSSERALATYRASPASNVALASNLYSVALARGVALALAILELYSLYSILESERPROPHEGLUHISGLNTHRTYRCYSGLNARGTHRLEUARGGLUILELYSILELEULEUARGPHEARGHISGLUASNILEILEGLYILEASNASPILEILEARGALAPROTHRILEGLUGLNMETLYSASPVALTYRILEVALGLNASPLEUMETGLUTHRASPLEUTYRLY... | 9.134305 | 0.258005 | Q(15)-F(17)-Y(28)-I(29)-G(30)-E(31)-G(32)-A(33)-Y(34)-G(35)-M(36)-V(37)-C(38)-S(39)-V(49)-A(50)-I(51)-K(52)-K(53)-I(54)-S(55)-P(56)-Y(62)-R(65)-T(66)-E(69)-L(73)-I(82)-G(83)-I(84)-I(101)-V(102)-Q(103)-D(104)-L(105)-M(106)-E(107)-T(108)-D(109)-L(110)-Y(111)-K(112)-L(113)-K(115)-H(145)-D(147)-K(149)-P(150)-S(151)-N(152)-... |
2r38 | 150 | [H]c1c([H])c([H])c(C([H])([H])N([C@@]2([H])C([H])([H])[N+]([H])([H])C([H])([H])[C@]2([H])N(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])S(=O)(=O)c2c([H])c([H])c(C(=O)N([H])[H])c([H])c2[H])S(=O)(=O)c2c([H])c([H])c(C(=O)N([H])[H])c([H])c2[H])c([H])c1[H] | PROGLNILETHRLEUTRPGLNARGPROLEUVALTHRILELYSILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETSERLEUPROGLYARGTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILELEUILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNVALILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPGLNAR... | 8.204032 | 0.41937 | 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)-V(56)-T(74)-L(76)-T(80)-P(81)-V(82)-N(83)-V(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)-L(33)-K(45)-M(46)-I(47)-G(48)-G(49)-... |
4o0y | 182 | [H]OC(C#Cc1c([H])c([H])c2c(c1[H])N(c1nc([H])nc(N([H])[H])n1)C(N([H])C([H])([H])C([H])([H])[H])=N2)(C([H])([H])[H])C([H])([H])[H] | GLYSERHISGLUGLNPHEARGALAALALEUGLNLEUVALVALASPPROGLYASPPROARGSERTYRLEUASPASNPHEILELYSILEGLYGLUGLYSERTHRGLYILEVALCYSILEALATHRVALARGSERSERGLYLYSLEUVALALAVALLYSLYSMETASPLEUARGLYSGLNGLNARGARGGLULEULEUPHEASNGLUVALVALILEMETARGASPTYRGLNHISGLUASNVALVALGLUMETTYRASNSERTYRLEUVALGLYASPGLULEUTRPVALVALMETGLUPHELEUGLUGLYGLYALALEUTHRAS... | 8.060031 | 0.234733 | K(326)-I(327)-G(328)-E(329)-G(330)-S(331)-T(332)-G(333)-I(334)-V(335)-C(336)-I(337)-V(347)-A(348)-V(349)-K(350)-K(351)-M(352)-N(365)-E(366)-V(367)-M(370)-V(378)-V(379)-E(380)-M(381)-Y(382)-N(383)-W(392)-V(393)-V(394)-M(395)-E(396)-F(397)-L(398)-E(399)-G(400)-G(401)-A(402)-L(403)-T(404)-D(405)-H(438)-S(443)-D(444)-S(445... |
1jmg | 175 | [H]O[C@@]1([H])C([H])([H])[C@]([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])O[C@]1([H])C([H])([H])OP(=O)([O-])[O-] | METLEUGLUGLNPROTYRLEUASPLEUALALYSLYSVALLEUASPGLUGLYHISPHELYSPROASPARGTHRHISTHRGLYTHRTYRSERILEPHEGLYHISGLNMETARGPHEASPLEUSERLYSGLYPHEPROLEULEUTHRTHRLYSLYSVALPROPHEGLYLEUILELYSSERGLULEULEUTRPPHELEUHISGLYASPTHRASNILEARGPHELEULEUGLNHISARGASNHISILETRPASPGLUTRPALAPHEGLULYSTRPVALLYSSERASPGLUTYRHISGLYPROASPMETTHRASPPHEGLYHISAR... | 5.368143 | 0.166957 | K(20)-D(22)-R(23)-T(24)-T(28)-W(82)-W(85)-Y(146)-W(185)-A(194)-L(195)-P(196)-P(197)-C(198)-H(199)-T(200)-L(215)-Q(217)-R(218)-S(219)-A(220)-D(221)-I(222)-F(223)-L(224)-G(225)-V(226)-P(227)-F(228)-G(229)-I(230)-A(231)-S(232)-Y(233)-H(253)-F(255)-D(257)-A(258)-H(259)-L(260)-Y(261)-H(264)-V(314)-A(315)-Y(176)-S(177)-R(178... |
4alx | 137 | [H]C1=C2C([H])([H])C([H])([H])[N@+]3([H])C([H])([H])C([H])([H])C4=C(C([H])([H])C(=O)OC4([H])[H])[C@]23C([H])([H])[C@@]([H])(OC([H])([H])[H])C1([H])[H] | LEUASPARGALAASPILELEUTYRASNILEARGGLNTHRSERARGPROASPVALILEPROTHRGLNARGASPARGPROVALALAVALSERVALSERLEULYSPHEILEASNILELEUGLUVALASNGLUILETHRASNGLUVALASPVALVALPHETRPGLNGLNTHRTHRTRPSERASPARGTHRLEUALATRPASNSERSERHISSERPROASPGLNVALSERVALPROILESERSERLEUTRPVALPROASPLEUALAALATYRASNALAILESERLYSPROGLUVALLEUTHRPROGLNLEUALAARGVALVALSE... | 6.017094 | 0.454942 | D(85)-A(87)-Y(89)-K(139)-G(141)-S(142)-W(143)-T(144)-H(145)-H(146)-V(183)-T(184)-Y(185)-S(186)-C(187)-C(188)-E(190)-A(191)-Y(192)-E(193)-S(32)-K(34)-I(36)-W(53)-Q(54)-Q(55)-T(56)-T(57)-Q(73)-V(74)-S(75)-V(76)-I(78)-T(99)-P(100)-Q(101)-L(102)-A(103)-R(104)-V(105)-V(111)-L(112)-Y(113)-M(114)-P(115)-S(116)-T(155)-E(163)-Y... |
6e1z | 135 | [H]C1=NC([H])=C([H])N1C([H])([H])C1=C([H])C([H])=C(C(=O)[O-])O1 | PROTHRPROVALLYSPROASNTYRALALEULYSPHETHRLEUALAGLYHISTHRLYSALAVALSERSERVALLYSPHESERPROASNGLYGLUTRPLEUALASERSERSERALAASPLYSLEUILELYSILETRPGLYALATYRASPGLYLYSPHEGLULYSTHRILESERGLYHISLYSLEUGLYILESERASPVALALATRPSERSERASPSERASNLEULEUVALSERALASERASPASPLYSTHRLEULYSILETRPASPVALSERSERGLYLYSCYSLEULYSTHRLEULYSGLYHISSERASNTYRVALPHECY... | 6.309202 | 0.100311 | A(47)-V(48)-S(49)-S(50)-V(51)-K(52)-S(63)-A(65)-I(90)-S(91)-D(92)-V(93)-A(105)-V(132)-F(133)-C(134)-C(135)-N(136)-G(147)-F(149)-V(174)-S(175)-A(176)-V(177)-S(189)-Y(191)-S(218)-F(219)-V(220)-L(234)-N(257)-K(259)-Y(260)-C(261)-I(262)-F(263)-A(264)-E(279)-V(304)-I(305)-S(306)-T(307)-L(321) |
2amt | 105 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])O[C@]1([H])C([H])([H])O[P@](=O)([O-])O[P@](=O)([O-])OC([H])([H])C([H])([H])OC(=O)c1c([H])c([H])c([H])c([H])c1N([H])[H] | METARGILEGLYHISGLYPHEASPVALHISALAPHEGLYGLYGLUGLYPROILEILEILEGLYGLYVALARGILEPROTYRGLULYSGLYLEULEUALAHISSERASPGLYASPVALALALEUHISALALEUTHRASPALALEULEUGLYALAALAALALEUGLYASPILEGLYLYSLEUPHEPROASPTHRASPPROALAPHELYSGLYALAASPSERARGGLULEULEUARGGLUALATRPARGARGILEGLNALALYSGLYTYRTHRLEUGLYASNVALASPVALTHRILEILEALAGLNALAPROLYSMETLEUPR... | 5.035271 | 0.58262 | F(7)-D(8)-V(9)-H(10)-A(11)-L(32)-A(33)-H(34)-S(35)-D(36)-G(37)-D(38)-V(39)-H(42)-A(43)-T(45)-D(46)-G(55)-D(56)-I(57)-G(58)-K(59)-L(60)-F(61)-P(62)-D(63)-T(64)-D(65)-P(66)-A(67)-F(68)-K(69)-G(70)-A(71)-D(72)-S(73)-L(76)-I(20)-T(97)-I(98)-I(99)-A(100)-Q(101)-A(102)-P(103)-K(104)-M(105)-L(106)-P(107)-H(108)-I(109)-M(112)-... |
4i72 | 143 | [H]OC([H])([H])[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C2=C([H])N([H])c3c2nc([H])nc3N([H])[H])[N+]1([H])[H] | GLYSERHISMETALALYSTHRVALILELEUASPHISASPGLYASNLYSASPASPPHEVALALAMETILELEULEULEUSERASNPROLYSLYSVALASNLEUILEGLYCYSILECYSTHRASPALAASPCYSPHEVALGLUASNGLYPHEASPVALTHRGLYLYSILEMETCYSALAMETHISARGLEUILELYSTHRPROLEUPHEPROILEGLYLYSSERTHRALATHRALAVALASNALAPHEPROTHRGLUTRPARGPHESERALALYSASNLEUASPASPMETPROPHELEUASNILEVALGLUASPVALALALE... | 5.415273 | 0.481969 | H(9)-D(10)-G(11)-N(12)-K(13)-D(14)-D(15)-F(16)-A(18)-A(39)-D(40)-C(41)-F(79)-P(80)-E(82)-W(83)-R(84)-F(85)-S(86)-V(136)-T(137)-G(138)-P(139)-I(163)-M(164)-G(165)-G(166)-A(167)-G(172)-N(173)-V(174)-F(175)-A(183)-E(184)-W(185)-N(186)-I(187)-Y(188)-W(189)-F(208)-S(209)-L(210)-T(213)-W(242)-S(245)-E(248)-L(251)-R(252)-D(25... |
5lsg | 155 | [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C(=O)[O-])C([H])([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])[C@@]32[H])C1(C([H])([H])[H])C([H])([H])[H] | GLUSERALAASPLEUARGALALEUALALYSHISLEUTYRASPSERTYRILELYSSERPHEPROLEUTHRLYSALALYSALAARGALAILELEUTHRGLYLYSTHRTHRASPLYSSERPROPHEVALILETYRASPMETASNSERLEUMETMETGLYGLUASPLYSILELYSGLUVALALAILEARGILEPHEGLNGLYCYSGLNPHEARGSERVALGLUALAVALGLNGLUILETHRGLUTYRALALYSSERILEPROGLYPHEVALASNLEUASPLEUASNASPGLNVALTHRLEULEULYSTYRGLYVALHISGLUIL... | 6.672609 | 0.197114 | I(279)-I(281)-F(282)-Q(283)-G(284)-C(285)-Q(286)-F(287)-R(288)-S(289)-V(290)-E(291)-A(292)-V(293)-V(322)-H(323)-E(324)-I(325)-I(326)-Y(327)-T(328)-M(329)-L(330)-A(331)-L(333)-M(334)-G(338)-V(339)-L(340)-I(341)-S(342)-E(343)-G(346)-F(347)-M(348)-T(349)-L(353)-F(360)-F(363)-M(364)-K(367)-F(368)-I(445)-V(446)-H(449)-V(450... |
1r9l | 188 | [H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(=O)[O-] | ALAASPLEUPROGLYLYSGLYILETHRVALASNPROVALGLNSERTHRILETHRGLUGLUTHRPHEGLNTHRLEULEUVALSERARGALALEUGLULYSLEUGLYTYRTHRVALASNLYSPROSERGLUVALASPTYRASNVALGLYTYRTHRSERLEUALASERGLYASPALATHRPHETHRALAVALASNTRPTHRPROLEUHISASPASNMETTYRGLUALAALAGLYGLYASPLYSLYSPHETYRARGGLUGLYVALPHEVALASNGLYALAALAGLNGLYTYRLEUILEASPLYSLYSTHRALAASPGLNTYRLY... | 5.836511 | 0.124705 | S(15)-I(17)-E(19)-E(20)-Y(46)-Y(50)-V(63)-N(64)-W(65)-P(67)-L(68)-H(69)-D(70)-M(72)-A(92)-A(93)-Q(94)-C(136)-N(137)-G(139)-W(140)-G(141)-C(142)-E(143)-G(144)-A(145)-I(146)-Y(166)-Y(186)-T(187)-W(188)-T(189)-P(190)-Y(191)-F(231)-S(234)-M(236) |
6hqy | 111 | [H]C1=C([H])N(C([H])([H])c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c2c([H])c(C(=O)N=O)c([H])c([H])c21 | SERVALGLYILEVALTYRGLYASPGLNTYRARGGLNLEUCYSCYSSERSERPROLYSPHEGLYASPARGTYRALALEUVALMETASPLEUILEASNALATYRLYSLEUILEPROGLULEUSERARGVALPROPROLEUGLNTRPASPSERPROSERARGMETTYRGLUALAVALTHRALAPHEHISSERTHRGLUTYRVALASPALALEULYSLYSLEUGLNMETLEUHISCYSGLUGLULYSGLULEUTHRALAASPASPGLULEULEUMETASPSERPHESERLEUASNTYRASPCYSPROGLYPHEPROSERVALPH... | 4.070906 | 0.157949 | K(20)-F(21)-R(24)-Y(99)-D(100)-C(101)-G(139)-W(140)-H(141)-H(142)-S(149)-G(150)-F(151)-C(152)-D(184)-D(186)-L(187)-H(188)-H(189)-G(190)-D(191)-F(215)-F(216)-P(217)-Q(281)-G(283)-A(284)-D(285)-D(290)-P(291)-H(292)-R(293)-I(294)-G(337)-G(338)-G(339)-G(340)-Y(341)-N(342) |
4pb2 | 135 | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C(=O)N([H])C(=O)C(F)=C2[H])[C@]([H])(O[H])[C@]1([H])O[H] | SERLEUPHEMETSERCYSCYSGLYMETALAVALLEULEUGLYILEALAVALLEULEUSERSERASNARGLYSALAILEASNLEUARGTHRVALGLYGLYALAPHEALAILEGLNPHESERLEUGLYALAPHEILELEUTYRVALPROTRPGLYGLNGLULEULEUARGGLYPHESERASPALAVALSERASNVALILEASNTYRGLYASNASPGLYTHRSERPHELEUPHEGLYGLYLEUVALSERGLYLYSMETPHEGLUVALPHEGLYGLYGLYGLYPHEILEPHEALAPHEARGVALLEUPROTHRLEUILEPHEPH... | 5.555475 | 0.190093 | L(105)-S(109)-F(151)-V(152)-G(153)-Q(154)-T(155)-E(156)-A(157)-G(180)-L(181)-S(183)-I(184)-A(185)-G(186)-G(187)-V(188)-L(189)-Y(192)-L(259)-A(260)-N(262)-V(263)-M(266)-L(267)-F(270)-K(327)-A(330)-N(331)-E(332)-F(333)-V(334)-A(335)-Y(336)-L(363)-G(365)-F(366)-A(367)-N(368)-L(369)-S(370)-S(371)-I(372)-A(373)-I(374)-L(375... |
1i37 | 143 | [H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H] | ILEPHELEUASNVALLEUGLUALAILEGLUPROGLYVALVALCYSALAGLYHISASPASNASNGLNPROASPSERPHEALAALALEULEUSERSERLEUASNGLULEUGLYGLUARGGLNLEUVALHISVALVALLYSTRPALALYSALALEUPROGLYPHEARGASNLEUHISVALASPASPGLNMETALAVALILEGLNTYRSERTRPMETGLYLEUMETVALPHEALAMETGLYTRPARGSERPHETHRASNVALASNSERARGMETLEUTYRPHEALAPROASPLEUVALPHEASNGLUTYRARGMETHISLYSSE... | 7.238964 | 0.092848 | V(685)-A(687)-F(697)-L(700)-L(701)-S(702)-S(703)-L(704)-N(705)-E(706)-L(707)-G(708)-E(709)-R(710)-Q(711)-L(712)-V(715)-W(741)-M(742)-G(743)-L(744)-M(745)-V(746)-F(747)-A(748)-M(749)-G(750)-R(752)-S(753)-L(762)-Y(763)-F(764)-A(765)-L(768)-F(770)-S(778)-M(780)-Q(783)-C(784)-M(787)-I(869)-A(870)-E(872)-L(873)-H(874)-Q(875... |
2i4j | 168 | [H]c1c([H])c([H])c2c(c1[H])N=C(N(C([H])([H])C([H])([H])c1c([H])c([H])c(O[C@](C(=O)[O-])(C([H])([H])[H])C([H])([H])C([H])([H])[H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O2 | GLUSERALAASPLEUARGALALEUALALYSHISLEUTYRASPSERTYRILELYSSERPHEPROLEUTHRLYSALALYSALAARGALAILELEUTHRGLYLYSTHRTHRASPLYSSERPROPHEVALILETYRASPMETASNSERLEUMETMETGLYGLUASPLYSILELYSPHELYSHISILETHRPROLEUGLNGLUGLNSERLYSGLUVALALAILEARGILEPHEGLNGLYCYSGLNPHEARGSERVALGLUALAVALGLNGLUILETHRGLUTYRALALYSSERILEPROGLYPHEVALASNLEUASPLEUASNAS... | 6.563548 | 0.267379 | Y(222)-S(225)-F(226)-P(227)-L(228)-I(249)-F(264)-I(281)-F(282)-Q(283)-G(284)-C(285)-Q(286)-F(287)-R(288)-S(289)-V(290)-E(291)-A(292)-V(293)-Q(294)-E(295)-I(296)-T(297)-Y(299)-V(322)-H(323)-E(324)-I(325)-I(326)-Y(327)-T(328)-M(329)-L(330)-A(331)-S(332)-L(333)-M(334)-G(338)-V(339)-L(340)-I(341)-S(342)-E(343)-G(346)-F(347... |
3hu3 | 174 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=Nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])O[P@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])S[H] | LEULYSGLNLYSASNARGPROASNARGLEUILEVALASPGLUALAILEASNGLUASPASNSERVALVALSERLEUSERGLNPROLYSMETASPGLULEUGLNLEUPHEARGGLYASPTHRVALLEULEULYSGLYLYSLYSARGARGGLUALAVALCYSILEVALLEUSERASPASPTHRCYSSERASPGLULYSILEARGMETASNARGVALVALARGASNASNLEUARGVALARGLEUGLYASPVALILESERILEGLNPROCYSPROASPVALLYSTYRGLYLYSARGILEHISVALLEUPROILEASPASPTHRVA... | 6.509379 | 0.211779 | V(201)-Y(203)-D(204)-D(205)-I(206)-G(207)-G(208)-C(209)-R(210)-Q(212)-L(213)-L(243)-Y(244)-G(245)-P(246)-P(247)-G(248)-T(249)-G(250)-K(251)-T(252)-L(253)-I(254)-A(255)-R(256)-A(257)-P(272)-F(302)-D(304)-E(305)-D(307)-A(346)-T(347)-N(348)-R(349)-I(369)-G(370)-P(372)-G(376)-R(377)-E(379)-I(380)-L(381)-Q(382)-I(383)-H(384... |
1zdp | 152 | [H]SC([H])([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)[O-])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] | ILETHRGLYTHRSERTHRVALGLYVALGLYARGGLYVALLEUGLYASPGLNLYSASNILEASNTHRTHRTYRSERTHRTYRTYRTYRLEUGLNASPASNTHRARGGLYASPGLYILEPHETHRTYRASPALALYSTYRARGTHRTHRLEUPROGLYSERLEUTRPALAASPALAASPASNGLNPHEPHEALASERTYRASPALAPROALAVALASPALAHISTYRTYRALAGLYVALTHRTYRASPTYRTYRLYSASNVALHISASNARGLEUSERTYRASPGLYASNASNALAALAILEARGSERSERVALHISTYRSE... | 5.055979 | 0.215629 | Y(110)-N(111)-N(112)-A(113)-F(114)-W(115)-V(121)-Y(122)-G(123)-F(130)-L(133)-G(136)-D(138)-V(139)-V(140)-A(141)-H(142)-E(143)-H(146)-Y(157)-N(165)-E(166)-S(169)-D(170)-G(173)-I(188)-G(189)-E(190)-D(191)-V(192)-Y(193)-S(201)-L(202)-R(203)-D(226)-V(230)-H(231)-I(232)-S(234) |
5j86 | 113 | [H]Oc1c([H])c(O[H])c(C2=NN([H])C(=O)N2c2c([H])c([H])c([H])c([H])c2C([H])([H])[H])c([H])c1C(=O)N(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])S1 | GLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALE... | 8.245638 | 0.23309 | F(22)-F(44)-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)-I(91)-V(92)-D(93)-T(94)-G(95)-I(96)-G(97)-M(98)-T(99)-K(100)-A(101)-D(102)-L(103)-I(104)-N(105)-N(106)-L(107)-G(108)-I(110)-G(135)-V(136)-G(137)-F(138)-Y(139)-A(141)-Y(142)-V(148)-T(149)-V(150)-I(151)-T(152)-K(153)-H(154)-W(162)-E... |
5ewy | 136 | [H]C1=C([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)[O-])C([H])=C2C1=NC(=O)c1c([H])c(F)c([H])c([H])c12 | LYSALAALAALAPROALACYSPROARGPHEASPASPPROVALHISALAALAALAASPPROARGVALASPVALGLUARGILETHRPROASPPROVALTRPARGTHRTHRCYSGLYTHRLEUTYRARGSERASPSERARGGLYPROALAVALVALPHEGLUGLNGLYPHELEUPROLYSASPVALILEASPGLYGLNTYRASPILEGLUSERTYRVALLEUVALASNGLNPROSERPROTYRVALSERTHRTHRTYRASPHISASPLEUTYRLYSTHRTRPTYRLYSSERGLYTYRASNTYRTYRILEASPALAPROGLYGL... | 6.915169 | 0.144278 | Y(76)-R(77)-S(78)-D(79)-S(80)-R(81)-F(91)-L(92)-P(93)-K(94)-Y(106)-V(107)-N(110)-Q(111)-P(112)-S(113)-Y(115)-V(116)-S(117)-T(118)-T(119)-Y(120)-D(121)-L(124)-Y(125)-T(127)-W(128)-S(131)-Y(133)-N(134)-Y(135)-I(137)-V(145)-W(155)-A(156)-D(157)-Q(158)-V(159)-E(160)-V(161)-A(162) |
2xef | 117 | [H]C1=C(C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])c2c([H])c([H])c([N+](=O)[O-])c([H])c2[N+](=O)[O-])N=NN1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C... | LYSHISASNMETLYSALAPHELEUASPGLULEULYSALAGLUASNILELYSLYSPHELEUTYRASNPHETHRGLNILEPROHISLEUALAGLYTHRGLUGLNASNPHEGLNLEUALALYSGLNILEGLNSERGLNTRPLYSGLUPHEGLYLEUASPSERVALGLULEUALAHISTYRASPVALLEULEUSERTYRPROASNLYSTHRHISPROASNTYRILESERILEILEASNGLUASPGLYASNGLUILEPHEASNTHRSERLEUPHEGLUPROPROPROPROGLYTYRGLUASNVALSERASPILEVALPROPROPH... | 4.075569 | 0.577875 | A(163)-F(164)-Y(179)-Y(205)-G(206)-K(207)-V(208)-F(209)-R(210)-G(211)-K(213)-D(233)-Y(234)-Q(254)-R(255)-G(256)-N(257)-I(258)-L(259)-N(260)-L(261)-N(262)-G(263)-G(265)-H(377)-D(379)-W(381)-I(386)-D(387)-P(388)-A(423)-E(424)-E(425)-F(426)-G(427)-L(428)-L(429)-N(451)-D(453)-S(454)-S(455)-I(456)-E(457)-Y(460)-T(461)-L(462... |
2yel | 150 | [H]c1c([H])c([H])c(C2=N[C@@]([H])(N([H])C(=O)OC([H])([H])c3c([H])c([H])c([H])c([H])c3[H])C3=NN=C(C([H])([H])[H])N3c3c([H])c([H])c([H])c([H])c32)c([H])c1[H] | SERMETASNPROPROPROPROGLUTHRSERASNPROASNLYSPROLYSARGGLNTHRASNGLNLEUGLNTYRLEULEUARGVALVALLEULYSTHRLEUTRPLYSHISGLNPHEALATRPPROPHEGLNGLNPROVALASPALAVALLYSLEUASNLEUPROASPTYRTYRLYSILEILELYSTHRPROMETASPMETGLYTHRILELYSLYSARGLEUGLUASNASNTYRTYRTRPASNALAGLNGLUCYSILEGLNASPPHEASNTHRMETPHETHRASNCYSTYRILETYRASNLYSPROGLYASPASPILEVALLE... | 6.676542 | 0.657923 | F(79)-A(80)-W(81)-P(82)-F(83)-Q(84)-Q(85)-P(86)-V(87)-D(88)-A(89)-V(90)-K(91)-L(92)-N(93)-L(94)-D(96)-Y(97)-Y(98)-I(101)-M(105)-D(106)-M(107)-M(132)-F(133)-N(135)-C(136)-Y(137)-Y(139)-N(140)-K(141)-D(144)-D(145)-I(146)-V(147)-L(148)-M(149)-A(150)-L(153) |
6g2r | 133 | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(Oc2c([H])c([H])c(-c3c(F)c(F)c(C#N)c(F)c3F)c([H])c2Cl)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] | PHEALACYSLYSTHRALAASNGLYTHRALAILEPROILEGLYGLYGLYSERALAASNVALTYRVALASNLEUALAPROVALVALASNVALGLYGLNASNLEUVALVALASPLEUSERTHRGLNILEPHECYSHISASNASPTYRPROGLUTHRILETHRASPTYRVALTHRLEUGLNARGGLYSERALATYRGLYGLYVALLEUSERASNPHESERGLYTHRVALLYSTYRSERGLYSERSERTYRPROPHEPROTHRTHRSERGLUTHRPROARGVALVALTYRASNSERARGTHRASPLYSPROTRPPROVALALALE... | 5.920794 | 0.208417 | F(1)-A(2)-P(12)-I(13)-G(14)-G(15)-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) |
1d2e | 151 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)O[C@]1([H])C([H])([H])O[P@@](=O)([O-])OP(=O)([O-])[O-] | LYSPROHISVALASNVALGLYTHRILEGLYHISVALASPHISGLYLYSTHRTHRLEUTHRALAALAILETHRLYSILELEUALAGLUGLYGLYGLYALALYSPHELYSLYSTYRGLUGLUILEASPASNALAPROGLUGLUARGALAARGGLYILETHRILEASNALAALAHISVALGLUTYRSERTHRALAALAARGHISTYRALAHISTHRASPCYSPROGLYHISALAASPTYRVALLYSASNMETILETHRGLYTHRALAPROLEUASPGLYCYSILELEUVALVALALAALAASNASPGLYPROMETPROGLNTH... | 6.200226 | 0.191275 | T(62)-I(63)-G(64)-H(65)-V(66)-D(67)-H(68)-G(69)-K(70)-T(71)-T(72)-L(73)-T(74)-A(75)-A(76)-Y(92)-I(95)-D(96)-D(126)-C(127)-P(128)-G(129)-H(130)-Y(133)-V(150)-V(151)-A(152)-A(153)-N(154)-Q(160)-H(164)-Y(179)-V(180)-N(181)-K(182)-A(183)-D(184)-A(185)-V(186)-G(218)-S(219)-A(220)-L(221)-C(222)-A(223)-L(224)-E(225)-R(227)-L(... |
2weg | 120 | [H]c1c([H])c([H])c(S(=O)(=O)N([H])[H])c(F)c1[H] | HISHISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVA... | 2.728077 | 0.084203 | W(5)-Y(7)-W(16)-S(29)-P(30)-N(62)-H(64)-A(65)-N(67)-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)-F(131)-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)-W(209)-N(244)-W(245)-R(246) |
4b7j | 184 | [H]N(C(=O)C([H])([H])[H])[C@]1([H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])[C@]([H])(C(=O)[O-])C([H])([H])[C@@]1([H])OC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H] | VALLYSLEUALAGLYASNSERSERLEUCYSPROVALSERGLYTRPALAILETYRSERLYSASPASNSERILEARGILEGLYSERLYSGLYASPVALPHEVALILEARGGLUPROPHEILESERCYSSERPROLEUGLUCYSARGTHRPHEPHELEUTHRGLNGLYALALEULEUASNASPLYSHISSERASNGLYTHRILELYSASPARGSERPROTYRARGTHRLEUMETSERCYSPROILEGLYGLUVALPROSERPROTYRASNSERARGPHEGLUSERVALALATRPSERALASERALACYSHISASPGLYILEAS... | 5.786498 | 0.415121 | R(118)-E(119)-L(134)-Q(136)-I(149)-K(150)-D(151)-R(152)-S(153)-R(156)-W(179)-S(180)-A(181)-I(195)-D(199)-N(222)-R(223)-L(224)-R(225)-T(226)-E(228)-T(243)-D(244)-G(245)-P(246)-S(247)-D(248)-H(275)-Y(276)-E(277)-E(278)-R(293)-D(294)-N(295)-W(296)-N(325)-N(344)-G(345)-V(346)-K(347)-R(368)-G(401)-Y(402)-E(425)-I(427)-P(431... |
1ppm | 179 | [H]c1c([H])c([H])c(C([H])([H])OC(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[P@](=O)([O-])O[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])[H])C([H])([H])[H])c([H])c1[H] | ALAALASERGLYVALALATHRASNTHRPROTHRALAASNASPGLUGLUTYRILETHRPROVALTHRILEGLYGLYTHRTHRLEUASNLEUASNPHEASPTHRGLYSERALAASPLEUTRPVALPHESERTHRGLULEUPROALASERGLNGLNSERGLYHISSERVALTYRASNPROSERALATHRGLYLYSGLULEUSERGLYTYRTHRTRPSERILESERTYRGLYASPGLYSERSERALASERGLYASNVALPHETHRASPSERVALTHRVALGLYGLYVALTHRALAHISGLYGLNALAVALGLNALAALAGLNGL... | 6.702496 | 0.23118 | A(12)-N(13)-D(14)-E(15)-E(16)-Y(17)-N(31)-F(32)-D(33)-T(34)-G(35)-S(36)-A(37)-D(38)-W(40)-I(73)-S(74)-Y(75)-G(76)-D(77)-G(78)-S(79)-S(80)-S(109)-Q(111)-F(112)-D(115)-N(118)-G(120)-L(121)-L(122)-G(123)-L(124)-A(125)-I(129)-T(131)-Q(188)-F(190)-I(211)-A(212)-D(213)-T(214)-G(215)-T(216)-T(217)-L(218)-L(219)-L(220)-D(239)-... |
2am4 | 154 | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P@@](=O)([O-])O[P@](=O)([O-])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C(=O)N([H])C(=O)C([H])=C3[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(F)[C@@]([H])(O[H])[C@]1([H])O[H] | ALAVALILEPROILELEUVALILEALACYSASPARGSERTHRVALARGARGCYSLEUASPLYSLEULEUHISTYRARGPROSERALAGLULEUPHEPROILEILEVALSERGLNASPCYSGLYHISGLUGLUTHRALAGLNVALILEALASERTYRGLYSERALAVALTHRHISILEARGGLNPROASPLEUSERASNILEALAVALGLNPROASPHISARGLYSPHEGLNGLYTYRTYRLYSILEALAARGHISTYRARGTRPALALEUGLYGLNILEPHEHISASNPHEASNTYRPROALAALAVALVALVALGLUAS... | 5.056757 | 0.331715 | L(111)-V(112)-I(113)-A(114)-C(115)-D(116)-R(117)-V(120)-S(142)-Q(143)-D(144)-C(145)-G(146)-T(150)-I(154)-Q(166)-L(169)-I(172)-F(181)-Q(182)-G(183)-Y(184)-Y(185)-K(186)-I(187)-A(188)-R(189)-H(190)-Y(191)-A(194)-V(209)-V(210)-E(211)-D(212)-D(213)-L(214)-F(265)-F(266)-P(267)-G(268)-L(269)-G(270)-W(271)-A(288)-F(289)-W(290... |
3p3s | 144 | [H]Oc1c(Br)c([H])c(C([H])=C2C(=O)N([H])C(=[N+]([H])[H])N2C([H])([H])[H])c([H])c1Br | PROLEUMETVALLYSVALLEUASPALAVALARGGLYSERPROALAILEASNVALALAVALHISVALPHEARGLYSALAALAASPASPTHRTRPGLUPROPHEALASERGLYLYSTHRSERGLUSERGLYGLULEUHISGLYLEUTHRTHRGLUGLUGLUPHEVALGLUGLYILETYRLYSVALGLUILEASPTHRLYSSERTYRTRPLYSALALEUGLYILESERPROPHEHISGLUHISALAGLUVALVALPHETHRALAASNASPSERGLYPROARGARGTYRTHRILEALAALALEULEUSERPROTYRSERTYRSE... | 6.985053 | 0.265149 | M(13)-V(14)-K(15)-V(16)-L(17)-A(19)-P(24)-S(52)-E(54)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-Y(116)-S(117)-T(118)-T(119)-A(120)-V(121)-S(115)-Y(116)-S(117)-M(13)-V(14)-K(15)-V(16)-L(17)-A(19)-P(24)-S(52)-E(54)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-Y(116)-S(117)-T(118)-T(119)-A(120)-V(121)-Y(114)-S(115)-Y(116)-S(... |
6faf | 135 | [H]Oc1c([H])c([H])c(S(=O)(=O)N([H])[H])c([H])c1N([H])C(=O)N([H])c1c([H])c(C([H])([H])[H])c([H])c([H])c1C([H])([H])[H] | ASPTRPGLYTYRASPASPLYSASNGLYPROGLUGLNTRPSERLYSLEUTYRPROILEALAASNGLYASNASNGLNSERPROVALASPILELYSTHRSERGLUTHRLYSHISASPTHRSERLEULYSPROILESERVALSERTYRASNPROALATHRALALYSGLUILEILEASNVALGLYHISSERPHEHISVALASNPHEGLUASPASNASPASNARGSERVALLEULYSGLYGLYPROPHESERASPSERTYRARGLEUPHEGLNPHEHISPHEHISTRPGLYSERTHRASNGLUHISGLYSERGLUHISTHRVALAS... | 5.472225 | 0.456437 | W(5)-Y(7)-Y(20)-S(29)-P(30)-V(62)-H(64)-S(65)-H(67)-N(69)-F(91)-Q(92)-F(93)-H(94)-F(95)-H(96)-E(106)-H(107)-E(117)-L(118)-H(119)-V(120)-A(121)-H(122)-W(123)-L(131)-A(132)-A(134)-A(135)-S(136)-L(141)-A(142)-V(143)-I(144)-G(145)-G(196)-S(197)-L(198)-T(199)-H(200)-P(201)-P(202)-L(203)-Y(204)-S(206)-V(207)-W(209)-N(244)-R(... |
2xbw | 106 | [H]C1=C([H])C([H])=C([H])N(c2c([H])c([H])c(N([H])C(=O)[C@@]3([H])C([H])([H])N(S(=O)(=O)N([H])[H])C([H])([H])[C@]3([H])C(=O)N([H])c3c([H])c([H])c(Cl)c([H])c3[H])c(F)c2[H])C1=O | ILEVALGLYGLYGLNGLUCYSLYSASPGLYGLUCYSPROTRPGLNALALEULEUILEASNGLUGLUASNGLUGLYPHECYSGLYGLYTHRILELEUSERGLUPHETYRILELEUTHRALAALAHISCYSLEUTYRGLNALALYSARGPHELYSVALARGVALGLYASPARGASNTHRGLUGLNGLUGLUGLYGLYGLUALAVALHISGLUVALGLUVALVALILELYSHISASNARGPHETHRLYSGLUTHRTYRASPPHEASPILEALAVALLEUARGLEULYSTHRPROILETHRPHEARGMETASNVALALAPROAL... | 8.213744 | 0.31061 | 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)-T(144)-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... |
5ive | 143 | [H]C1=NN2C(=O)C(C([H])(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])N([H])C2=C1C#N | ALAGLUPHEVALPROPROPROGLUCYSPROVALPHEGLUPROSERTRPGLUGLUPHETHRASPPROLEUSERPHEILEGLYARGILEARGPROLEUALAGLULYSTHRGLYILECYSLYSILEARGPROPROLYSASPTRPGLNPROPROPHEALACYSGLUVALLYSSERPHEARGPHETHRPROARGVALGLNARGLEUASNGLULEUGLUALAMETTHRPROARGGLUALAPHEGLYPHEGLUGLNALAVALARGGLUTYRTHRLEUGLNSERPHEGLYGLUMETALAASPASNPHELYSSERASPTYRPHEASNME... | 4.247734 | 0.311556 | R(73)-Q(75)-F(366)-V(407)-E(408)-Y(409)-G(410)-A(411)-D(412)-I(413)-L(471)-Y(472)-V(473)-G(474)-M(475)-F(477)-S(478)-S(479)-F(480)-C(481)-H(483)-I(484)-E(485)-S(491)-N(493)-Y(494)-L(495)-K(501)-T(502)-W(503)-Q(557)-V(563)-T(565)-H(571)-S(572)-G(573)-F(574)-N(575)-N(579)-F(580)-A(581)-E(582)-A(583)-N(585) |
5j64 | 156 | [H]Oc1c([H])c([H])c(C2=NN([H])C(=O)N2c2c([H])c([H])c([H])c([H])c2F)c(O[H])c1[H] | GLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALE... | 8.848034 | 0.05926 | F(44)-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)-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)-T(109)-I(110)-G(135)-V(136)-G(137)-F(138)-Y(139)-A(141)-V(148)-V(150)-I(151)-T(152)-K(153)-H(154)-G(183)-T(184)-K(185)-V(186)-Y(61) |
4y5d | 140 | [H]C1=C(c2c([H])c([H])c([H])c(C(=O)OC([H])([H])[H])c2[H])OC2=C1C(=O)N([H])C([H])=C2[H] | ALAGLYILETHRGLYTHRTRPTYRASNGLNLEUGLYSERTHRPHEILEVALTHRALAGLYALAASPGLYALALEUTHRGLYTHRTYRGLUSERALAVALGLYASNALAGLUSERARGTYRVALLEUTHRGLYARGTYRASPSERALAPROALATHRASPGLYSERGLYTHRALALEUGLYTRPTHRVALALATRPLYSASNASNTYRARGASNALAHISSERALATHRTHRTRPSERGLYGLNTYRVALGLYGLYALAGLUALAARGILEASNTHRGLNTRPLEULEUTHRSERGLYTHRTHRGLUALAASNALATRPLY... | 6.175579 | 0.761189 | N(23)-Q(24)-L(25)-G(26)-S(27)-T(28)-Y(43)-E(44)-S(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)-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)-S(122)-L(124)-V(125)-G(126)-H(127)-D(128)-T(129)-F(130)-A(72)-W(120)-K(121) |
2wzf | 137 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])O[C@]1([H])C([H])([H])O[P@@](=O)([O-])OP(=O)([O-])[O-] | LEUSERLYSLEUARGMETARGPHEPHESERALALEUASNHISTHRSERGLUILEASPLEUGLNVALLEUPHEASNASPLEULYSSERILELEUTHRLEUASPSERILEGLUHISLEULYSGLUGLYSERVALALATYRALAILEILEGLNGLULEULEULYSGLNASPASPALAGLNASNLYSILEGLNSERPHELEUHISGLYALAILELYSASNVALILEHISPROGLYVALILELYSGLYLEUTHRPROASPGLUILEASNTRPASNVALALALYSALATYRPROLYSTYRTYRGLUHISGLUGLUPHEPROASPVA... | 5.512268 | 0.180206 | T(136)-S(137)-I(138)-W(139)-F(140)-S(141)-I(142)-K(143)-L(146)-F(147)-M(148)-P(149)-K(151)-Q(152)-L(170)-I(171)-Y(172)-S(173)-L(176)-L(216)-L(219)-N(224)-P(225)-A(226)-A(227)-A(228)-S(229)-D(230)-C(232)-R(233)-F(239)-Y(244)-V(245)-D(246)-I(247)-D(248)-L(249)-N(271)-N(293)-T(294)-D(295)-K(441)-V(444)-E(445)-P(450)-S(497... |
6gla | 151 | [H]C(C#N)=C([H])C1=C([H])C([H])=C(C2=Nc3c([H])nc4c(c3N2C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C([H])N4[H])O1 | ASPPROTHRILEPHEGLUGLUARGHISLEULYSTYRILESERGLNLEUGLYLYSGLYASNPHEGLYSERVALGLULEUCYSARGTYRASPPROLEUGLYASPASNTHRGLYALALEUVALALAVALLYSGLNLEUGLNHISSERGLYPROASPGLNGLNARGASPPHEGLNARGGLUILEGLNILELEULYSALALEUHISSERASPPHEILEVALLYSTYRARGGLYVALSERTYRGLYPROGLYARGGLNSERLEUARGLEUVALMETGLUTYRLEUPROSERGLYCYSLEUARGASPPHELEUGLNARGHISARGAL... | 7.905466 | 0.325046 | Q(827)-L(828)-G(829)-K(830)-G(831)-G(834)-S(835)-V(836)-E(837)-L(838)-V(852)-A(853)-V(854)-K(855)-E(871)-L(875)-V(884)-K(885)-L(900)-V(901)-M(902)-E(903)-Y(904)-L(905)-P(906)-S(907)-G(908)-C(909)-L(910)-R(911)-D(912)-F(913)-Q(915)-R(916)-A(951)-A(952)-R(953)-N(954)-I(955)-L(956)-V(957)-K(964)-I(965)-A(966)-D(967)-F(968... |
4u6c | 193 | [H]C1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]([H])([N+]([H])([H])[H])P(=O)([O-])[O-])C1([H])[H] | TYRARGTYRTHRGLYLYSLEUARGPROHISTYRPROLEUMETPROTHRARGPROVALPROSERTYRILEGLNARGPROASPTYRALAASPHISPROLEUGLYMETSERGLUSERGLUGLNALALEULYSGLYTHRSERGLNILELYSLEULEUSERSERGLUASPILEGLUGLYMETARGLEUVALCYSARGLEUALAARGGLUVALLEUASPVALALAALAGLYMETILELYSPROGLYVALTHRTHRGLUGLUILEASPHISALAVALHISLEUALACYSILEALAARGASNCYSTYRPROSERPROLEUASNTYRTY... | 3.674645 | 0.450004 | Y(117)-P(190)-S(191)-P(192)-L(193)-N(194)-Y(195)-Y(196)-N(197)-F(198)-P(199)-K(200)-S(201)-C(202)-C(203)-T(204)-S(205)-C(211)-H(212)-G(213)-I(214)-N(227)-V(228)-D(229)-I(230)-T(231)-L(232)-G(239)-D(240)-L(241)-N(242)-Y(300)-C(301)-G(302)-H(303)-G(304)-I(305)-F(309)-H(310)-T(311)-T(334)-I(335)-E(336)-M(338)-W(353)-Q(365... |
1ogz | 120 | [H]Oc1c([H])c([H])c2c3c(c([H])c([H])c2c1[H])[C@]1([H])C([H])([H])C([H])([H])C(=O)[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H] | METASNTHRPROGLUHISMETTHRALAVALVALGLNARGTYRVALALAALALEUASNALAGLYASPLEUASPGLYILEVALALALEUPHEALAASPASPALATHRVALGLUASPALAVALGLYSERGLUPROARGSERGLYTHRALAALAILEARGGLUPHETYRALAASNSERLEULYSLEUPROLEUALAVALGLULEUTHRGLNGLUVALARGALAVALALAASNGLUALAALAPHEALAPHEILEVALSERPHEGLUTYRGLNGLYARGLYSTHRVALVALALAPROILEASPHISPHEARGPHEASNGLYALAGL... | 6.327484 | 0.054032 | V(11)-Y(14)-V(15)-L(18)-I(26)-F(30)-V(36)-E(37)-D(38)-A(39)-R(45)-F(54)-Y(55)-N(57)-S(58)-L(59)-K(60)-L(61)-P(62)-L(63)-A(64)-V(65)-F(80)-F(82)-I(83)-V(84)-S(85)-F(86)-E(87)-Y(88)-T(93)-V(94)-V(95)-A(96)-P(97)-I(98)-D(99)-H(100)-F(101)-M(112)-R(113)-A(114)-L(115)-F(116)-I(121) |
2jfz | 119 | [H]c1nc([H])c([H])c(C2=C3C(=O)N(C([H])([H])[H])C(=O)N(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C3=NN2C([H])([H])c2c([H])c([H])c([H])c3c([H])c([H])c([H])c([H])c23)c1[H] | METLYSILEGLYVALPHEASPSERGLYVALGLYGLYPHESERVALLEULYSSERLEULEULYSALAARGLEUPHEASPGLUILEILETYRTYRGLYASPSERALAARGVALPROTYRGLYTHRLYSASPPROTHRTHRILELYSGLNPHEGLYLEUGLUALALEUASPPHEPHELYSPROHISGLUILEGLULEULEUILEVALALACYSASNTHRALASERALALEUALALEUGLUGLUMETGLNLYSTYRSERLYSILEPROILEVALGLYVALILEGLUPROSERILELEUALAILELYSARGGLNVALGLUASPLY... | 7.236315 | 0.70008 | D(7)-G(9)-V(10)-G(11)-G(12)-F(13)-S(14)-V(15)-L(16)-K(17)-S(18)-L(20)-Y(30)-V(37)-F(145)-V(146)-P(147)-L(148)-I(149)-E(150)-E(151)-S(152)-I(153)-L(154)-C(181)-T(182)-H(183)-F(184)-P(185)-L(186)-I(187)-H(209)-W(244)-L(245)-R(247)-Q(248)-A(249)-E(251)-W(252)-L(253) |
3mdz | 119 | [H]c1c([H])c(OC([H])([H])C([H])([H])[H])c([H])c2c1N=C(S(=O)(=O)N([H])[H])S2 | METHISGLYTRPGLYTYRGLYGLNASPASPGLYPROSERHISTRPHISLYSLEUTYRPROILEALAGLNGLYASPARGGLNSERPROILEASNILEILESERSERGLNALAVALTYRSERPROSERLEUGLNPROLEUGLULEUSERTYRGLUALACYSMETSERLEUSERILETHRASNASNGLYHISSERVALGLNVALASPPHEASNASPSERASPASPARGTHRVALVALTHRGLYGLYPROLEUGLUGLYPROTYRARGLEULYSGLNPHEHISPHEHISTRPGLYLYSLYSHISASPVALGLYSERGLUHISTH... | 3.940239 | 0.44103 | W(7)-Y(9)-W(18)-S(31)-P(32)-S(67)-Q(69)-K(93)-Q(94)-F(95)-H(96)-F(97)-H(98)-E(108)-H(109)-E(119)-L(120)-H(121)-L(122)-V(123)-H(124)-T(132)-F(133)-G(134)-E(135)-A(136)-A(137)-S(138)-L(143)-A(144)-V(145)-V(146)-G(147)-G(198)-S(199)-L(200)-T(201)-T(202)-P(203)-P(204)-L(205)-S(206)-S(208)-V(209)-W(211)-N(246)-F(247)-R(248) |
5l30 | 189 | [H]c1nc(N([H])[H])c2c([H])c([H])c(N([H])[C@@]3([H])C(=O)N(C([H])([H])[H])C([H])([H])c4c([H])c(c([H])c([H])c4C4(C5=NN=NN5[H])C([H])([H])C4([H])[H])N([H])C(=O)OC([H])([H])[C@]([H])(C([H])([H])[H])c4c([H])c([H])c3c([H])c4C([H])([H])[H])c([H])c2c1[H] | ILEVALGLYGLYLYSVALCYSPROLYSGLYGLUCYSPROTRPGLNVALLEULEULEUVALASNGLYALAGLNLEUCYSGLYGLYTHRLEUILEASNTHRILETRPVALVALSERALAALAHISCYSPHEASPLYSILELYSASNTRPARGASNLEUILEALAVALLEUGLYGLUHISASPLEUSERGLUHISASPGLYASPGLUGLNSERARGARGVALALAGLNVALILEILEPROSERTHRTYRVALPROGLYTHRTHRASNHISASPILEALALEULEUARGLEUHISGLNPROVALVALLEUTHRASPHISVALVA... | 8.218778 | 0.345414 | V(17)-V(35)-Q(40)-L(41)-C(42)-G(43)-A(55)-A(56)-H(57)-C(58)-F(59)-D(60)-K(60)-I(60)-Y(94)-V(95)-P(96)-G(97)-T(98)-T(99)-N(100)-D(102)-V(138)-Q(143)-D(146)-S(170)-P(170)-A(183)-G(184)-Y(184)-K(188)-D(189)-S(190)-C(191)-K(192)-G(193)-D(194)-S(195)-G(196)-G(197)-I(212)-V(213)-S(214)-W(215)-G(216)-Q(217)-G(219)-C(220)-A(22... |
3o5x | 148 | [H]Oc1c([H])c2c(c([H])c1C(=O)[O-])C(C1=C([H])N(C([H])([H])C([H])([H])C(=O)N([H])c3c([H])c([H])c(-c4c([H])c([H])c([H])c([H])c4[H])c([H])c3[H])N=N1)=C(c1c([H])c([H])c([H])c([H])c1[H])N2C([H])([H])[H] | LEUTYRSERARGLYSGLUGLYGLNARGGLNGLUASNLYSASNLYSASNARGTYRLYSASNILELEUPROPHEASPHISTHRARGVALVALLEUHISASPGLYASPPROASNGLUPROVALSERASPTYRILEASNALAASNILEILEMETPROLYSLYSSERTYRILEALATHRGLNGLYCYSLEUGLNASNTHRVALASNASPPHETRPARGMETVALPHEGLNGLUASNSERARGVALILEVALMETTHRTHRLYSGLUVALGLUARGGLYLYSSERLYSCYSVALLYSTYRTRPPROASPGLUTYRALALEULYSGL... | 5.484904 | 0.393884 | R(278)-Y(279)-N(281)-I(282)-T(356)-T(357)-E(361)-R(362)-G(363)-K(364)-S(365)-K(366)-W(423)-P(424)-D(425)-H(426)-G(427)-V(428)-P(429)-H(458)-C(459)-S(460)-A(461)-G(462)-I(463)-G(464)-R(465)-T(466)-G(467)-T(468)-F(469)-V(505)-Q(506)-T(507)-A(509)-Q(510) |
4z83 | 156 | [H]C1=Nc2c([H])c([C@@]3([H])C([H])([H])[N+]([H])([H])C([H])([H])[C@]3([H])C(=O)C3=C([H])C([H])=C(Br)S3)c([H])c([H])c2C(=O)N1[H] | SERVALLYSGLUPHELEUALALYSALALYSGLUASPPHELEULYSLYSTRPGLUASNPROALAGLNASNTHRALAHISLEUASPGLNPHEGLUARGILELYSTHRLEUGLYTHRGLYSERPHEGLYARGVALMETLEUVALLYSHISMETGLUTHRGLYASNHISTYRALAMETLYSILELEUASPLYSGLNLYSVALVALLYSLEULYSGLNILEGLUHISTHRLEUASNGLULYSARGILELEUGLNALAVALASNPHEPROPHELEUVALLYSLEUGLUPHESERPHELYSASPASNSERASNLEUTYRMETVALME... | 9.088006 | 0.112875 | T(48)-L(49)-G(50)-T(51)-G(52)-S(53)-F(54)-G(55)-R(56)-V(57)-M(58)-L(59)-V(60)-Y(69)-A(70)-M(71)-K(72)-I(73)-L(74)-D(75)-V(79)-E(91)-L(95)-V(104)-K(105)-M(118)-V(119)-M(120)-E(121)-Y(122)-A(123)-P(124)-G(125)-G(126)-E(127)-M(128)-F(129)-Y(164)-D(166)-K(168)-P(169)-E(170)-N(171)-L(172)-M(173)-I(174)-K(181)-V(182)-T(183)-... |
1fh7 | 150 | [H]O[C@@]1([H])[C@]([H])(O[C@]2([H])C([H])([H])[N+]([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]2([H])O[H])OC([H])([H])[C@@]([H])(O[H])[C@]1([H])O[H] | ALATHRTHRLEULYSGLUALAALAASPGLYALAGLYARGASPPHEGLYPHEALALEUASPPROASNARGLEUSERGLUALAGLNTYRLYSALAILEALAASPSERGLUPHEASNLEUVALVALALAGLUASNALAMETLYSTRPASPALATHRGLUPROSERGLNASNSERPHESERPHEGLYALAGLYASPARGVALALASERTYRALAALAASPTHRGLYLYSGLULEUTYRGLYHISTHRLEUVALTRPHISSERGLNLEUPROASPTRPALALYSASNLEUASNGLYSERALAPHEGLUSERALAMETVALASNHI... | 5.420188 | 0.352867 | A(18)-D(20)-V(41)-A(42)-E(43)-N(44)-K(47)-D(49)-Y(78)-H(80)-T(81)-W(84)-H(85)-S(86)-Q(87)-D(123)-N(126)-E(127)-N(169)-D(170)-Y(171)-Q(203)-H(205)-T(232)-E(233)-D(235)-W(273)-G(274)-Y(279)-S(280)-W(281)-V(282)-D(284)-V(285)-F(286)-L(293) |
1v2r | 159 | [H]c1c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c(C([H])([H])[C@@]([H])(C(=O)OC([H])([H])[H])N([H])C(=O)C([H])([H])N([H])S(=O)(=O)c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])c1[H] | ILEVALGLYGLYTYRTHRCYSGLYALAASNTHRVALPROTYRGLNVALSERLEUASNSERGLYTYRHISPHECYSGLYGLYSERLEUILEASNSERGLNTRPVALVALSERALAALAHISCYSTYRLYSSERGLYILEGLNVALARGLEUGLYGLUASPASNILEASNVALVALGLUGLYASNGLUGLNPHEILESERALASERLYSSERILEVALHISPROSERTYRASNSERASNTHRLEUASNASNASPILEMETLEUILELYSLEULYSSERALAALASERLEUASNSERARGVALALASERILESERLEUPROTH... | 5.908269 | 0.194664 | I(16)-V(17)-A(55)-H(57)-S(96)-N(97)-T(98)-L(99)-D(102)-I(138)-G(142)-N(143)-K(145)-S(146)-G(148)-T(149)-Y(151)-L(158)-S(173)-R(174)-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(225)-G(226)-V(227)... |
4det | 132 | [H]OC1=C(c2c([H])c([H])c(O[H])c([H])c2[H])Oc2c([H])c(O[H])c([H])c(O[H])c2C1=O | CYSPROLEUMETVALLYSVALLEUASPALAVALARGGLYSERPROALAILEASNVALALAVALHISVALPHEARGLYSALAALAASPASPTHRTRPGLUPROPHEALASERGLYLYSTHRSERGLUSERGLYGLULEUHISGLYLEUTHRTHRGLUGLUGLUPHEVALGLUGLYILETYRLYSVALGLUILEASPTHRLYSSERTYRTRPLYSALALEUGLYILESERPROPHEHISGLUHISALAGLUVALVALPHETHRALAASNASPSERGLYPROARGARGTYRTHRILEALAALALEULEUSERPROTYRSERTY... | 5.713016 | 0.206223 | M(13)-K(15)-V(16)-L(17)-A(19)-S(23)-P(24)-S(52)-E(54)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-Y(116)-S(117)-T(118)-T(119)-A(120)-V(121)-S(115)-Y(116)-S(117)-M(13)-K(15)-V(16)-L(17)-D(18)-A(19)-S(23)-P(24)-S(52)-E(54)-Y(105)-T(106)-I(107)-A(108)-A(109)-L(110)-L(111)-Y(116)-S(117)-T(118)-T(119)-A(120)-V(121)-V(122)-T(1... |
5ne5 | 141 | [H]OC([H])([H])[C@@]1([H])N2C(=O)C(=O)N([H])[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] | PROGLUASPTRPLYSALALEUALAALAASPVALARGSERGLUPHEGLNTRPALATRPGLNGLYTYRVALALALYSALATRPGLYLYSASPGLUILEASNPROVALSERGLYTHRSERARGSERPHEPHEILEGLUGLYHISASPLEUGLYLEUSERLEUVALGLUALALEUASPTHRLEUTRPILEMETGLYLEUASPALAGLUPHEGLNALAGLYVALASPTRPVALLYSALAASNLEUSERPHEASPVALASPGLYASNALAGLNVALPHEGLUTHRASNILEARGLEUVALGLYGLYLEULEUSERALAHISLEUAL... | 5.188136 | 0.29047 | F(71)-E(84)-F(120)-E(121)-I(124)-R(125)-A(184)-T(188)-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)-D(368)-P(421)-G(422)-Y(423)-W(424)-E(427)-Q(428)-Y(431)-S(450)-T(451)-E(452)-A(453)-N(454) |
6dyr | 175 | [H]C1=NC(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])=C([H])N1[H] | METLEULYSMETGLUALAVALPROLEUARGLEUGLUHISARGGLNGLUVALILEASPILEILEVALALASERPHETYRASNLYSALAASPLEUGLUGLNTRPLEULYSPROGLYVALLEUARGTHRASPTYRSERASPILELEUASNASPILETRPASNVALLEUVALGLUARGASPLEUSERPHEVALVALTYRASPTHRASNTHRASPARGILEILEGLYTHRALALEUASNPHEASPALAARGASNGLUPROGLUVALASPILELYSSERLYSLEULEUILEVALPHEGLUPHELEUGLUPHECYSGLUGLYPROIL... | 6.478449 | 0.27941 | I(685)-S(688)-F(689)-A(693)-D(694)-L(695)-E(696)-Y(708)-I(711)-T(739)-A(740)-L(741)-N(742)-L(757)-V(760)-F(761)-F(763)-L(764)-E(768)-H(785)-S(786)-F(787)-M(788)-M(789)-G(790)-M(804)-E(808)-V(811)-I(823)-F(824)-T(825)-T(826)-N(827)-T(828)-S(829)-T(832)-Q(833)-L(835)-A(836)-Y(841)-I(871)-H(873) |
3lxk | 178 | [H]C1=C([H])N([H])c2nc([H])nc(N(C([H])([H])[H])[C@@]3([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H])c21 | THRILEPHEGLUGLUARGHISLEULYSTYRILESERGLNLEUGLYLYSGLYASNPHEGLYSERVALGLULEUCYSARGTYRASPPROLEUGLYASPASNTHRGLYALALEUVALALAVALLYSGLNLEUGLNHISSERGLYPROASPGLNGLNARGASPPHEGLNARGGLUILEGLNILELEULYSALALEUHISSERASPPHEILEVALLYSTYRARGGLYVALSERTYRGLYPROGLYARGGLNSERLEUARGLEUVALMETGLUTYRLEUPROSERGLYCYSLEUARGASPPHELEUGLNARGHISARGALAARGLE... | 8.788399 | 0.239978 | Q(827)-L(828)-G(829)-K(830)-G(831)-N(832)-F(833)-G(834)-S(835)-V(836)-E(837)-L(838)-L(851)-V(852)-A(853)-V(854)-K(855)-Q(856)-L(857)-Q(858)-F(868)-E(871)-L(875)-V(884)-K(885)-Y(886)-R(887)-L(900)-V(901)-M(902)-E(903)-Y(904)-L(905)-P(906)-S(907)-G(908)-C(909)-L(910)-R(911)-D(912)-H(947)-D(949)-A(951)-A(952)-R(953)-N(954... |
2qi4 | 163 | [H]Oc1c([H])c([H])c([H])c(C(=O)N([H])[C@@]([H])(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])[C@]([H])(O[H])C([H])([H])N(C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])S(=O)(=O)c2c([H])c([H])c3c(c2[H])SC([H])=N3)c1[H] | PROGLNILETHRLEUTRPLYSARGPROLEUVALTHRILEARGILEGLYGLYGLNLEULYSGLUALALEULEUASPTHRGLYALAASPASPTHRVALLEUGLUGLUMETASNLEUPROGLYLYSTRPLYSPROLYSMETILEGLYGLYILEGLYGLYPHEILELYSVALARGGLNTYRASPGLNILEPROILEGLUILECYSGLYHISLYSALAILEGLYTHRVALLEUVALGLYPROTHRPROVALASNILEILEGLYARGASNLEULEUTHRGLNILEGLYCYSTHRLEUASNPHEPROGLNILETHRLEUTRPLYSAR... | 8.723192 | 0.201168 | R(8)-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)-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)... |
5fls | 129 | [H]C(C(=O)[O-])=C(c1c([H])c([H])c(Cl)c([H])c1[H])C([H])([H])[H] | HISHISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVA... | 3.036156 | 0.497245 | W(5)-Y(7)-W(16)-S(29)-N(62)-H(64)-N(67)-I(91)-Q(92)-H(94)-H(96)-E(106)-H(119)-V(121)-H(122)-F(131)-G(132)-V(135)-L(141)-V(143)-S(197)-L(198)-T(199)-T(200)-P(201)-P(202)-L(203)-L(204)-C(206)-V(207)-W(209)-R(246) |
5g4n | 126 | [H]c1c([H])c([H])c2c(c1[H])-c1c([H])c(C([H])([H])[N+]([H])([H])C([H])([H])[H])c([H])c([H])c1N2C([H])([H])C([H])(F)F | SERSERSERVALPROSERGLNLYSTHRTYRGLNGLYSERTYRGLYPHEARGLEUGLYPHELEUHISSERGLYTHRALALYSSERVALTHRCYSTHRTYRSERPROALALEUASNLYSLEUPHECYSGLNLEUALALYSTHRCYSPROVALGLNLEUTRPVALASPSERTHRPROPROPROGLYTHRARGVALARGALAMETALAILETYRLYSGLNSERGLNHISMETTHRGLUVALVALARGARGCYSPROHISHISGLUARGCYSSERASPSERASPGLYLEUALAPROPROGLNHISLEUILEARGVALGLUGLYAS... | 6.155023 | 0.09249 | Y(107)-G(108)-F(109)-R(110)-L(111)-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)-P(219)-C(220)-E(221)-P(222)-P(223)-E(224)-S(227)-D(228)-C(229)-T(230)-T(231)-I(232)-I(255)-L(257)-E(258) |
4nra | 123 | [H]C1=C([H])N(C(=O)C([H])([H])[H])C([H])=C2C1=Nc1c([H])c([H])c(Cl)c([H])c12 | SERMETSERVALLYSLYSPROLYSARGASPASPSERLYSASPLEUALALEUCYSSERMETILELEUTHRGLUMETGLUTHRHISGLUASPALATRPPROPHELEULEUPROVALASNLEULYSLEUVALPROGLYTYRLYSLYSVALILELYSLYSPROMETASPPHESERTHRILEARGGLULYSLEUSERSERGLYGLNTYRPROASNLEUGLUTHRPHEALALEUASPVALARGLEUVALPHEASPASNCYSGLUTHRPHEASNGLUASPASPSERASPILEGLYARGALAGLYHISASNMETARGLYSTYRPHEGL... | 5.960759 | 0.04294 | A(1886)-W(1887)-P(1888)-F(1889)-L(1890)-L(1891)-P(1892)-V(1893)-N(1894)-V(1898)-P(1899)-Y(1901)-I(1905)-M(1909)-D(1910)-V(1936)-N(1939)-C(1940)-E(1941)-T(1942)-F(1943)-N(1944)-I(1950)-G(1951)-A(1953)-G(1954) |
2pvh | 179 | [H]C1=NN2C(N([H])c3c([H])c([H])c([H])c([H])c3[H])=NC(N([H])c3c([H])c([H])c([H])c([H])c3[H])=NC2=C1[H] | METSERLYSALAARGVALTYRALAASPVALASNVALLEUARGPROLYSGLUTYRTRPASPTYRGLUALALEUTHRVALGLNTRPGLYGLUGLNASPASPTYRGLUVALVALARGLYSVALGLYARGGLYLYSTYRSERGLUVALPHEGLUGLYILEASNVALASNASNASNGLULYSCYSILEILELYSILELEULYSPROVALLYSLYSLYSLYSILELYSARGGLUILELYSILELEUGLNASNLEUGLYGLYPROASNILEVALLYSLEULEUASPILEVALARGASPGLNHISSERLYSTHRPROSERLEUILEPH... | 7.263161 | 0.273428 | R(43)-K(44)-V(45)-G(46)-R(47)-G(48)-S(51)-E(52)-V(53)-F(54)-E(55)-G(56)-K(64)-C(65)-I(66)-I(67)-K(68)-V(95)-K(96)-I(112)-F(113)-E(114)-Y(115)-V(116)-N(117)-N(118)-T(119)-D(120)-F(121)-K(158)-P(159)-H(160)-N(161)-V(162)-M(163)-I(164)-D(165)-K(170)-R(172)-L(173)-I(174)-D(175)-W(176) |
4f09 | 145 | [H]C1=C([H])N([H])c2nc([H])c3c(c21)N(C1([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C1([H])[H])C(C([H])([H])[H])=N3 | GLNPHEGLUGLUARGHISLEULYSPHELEUGLNGLNLEUGLYLYSGLYASNPHEGLYSERVALGLUMETCYSARGTYRASPPROLEUGLNASPASNTHRGLYGLUVALVALALAVALLYSLYSLEUGLNHISSERTHRGLUGLUHISLEUARGASPPHEGLUARGGLUILEGLUILELEULYSSERLEUGLNHISASPASNILEVALLYSTYRLYSGLYVALCYSTYRSERALAGLYARGARGASNLEULYSLEUILEMETGLUTYRLEUPROTYRGLYSERLEUARGASPTYRLEUGLNLYSHISLYSGLUARGILEAS... | 7.987742 | 0.101302 | Q(854)-L(855)-G(856)-K(857)-G(858)-N(859)-G(861)-S(862)-V(863)-E(864)-M(865)-V(878)-V(879)-A(880)-V(881)-K(882)-L(902)-V(911)-K(912)-K(914)-L(927)-I(928)-M(929)-E(930)-Y(931)-L(932)-P(933)-Y(934)-G(935)-S(936)-L(937)-R(938)-D(939)-Y(940)-T(979)-R(980)-N(981)-I(982)-L(983)-V(984)-E(985)-K(991)-I(992)-G(993)-D(994)-F(995... |
1ydt | 136 | [H]C(=C([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])N([H])S(=O)(=O)c1c([H])c([H])c([H])c2c([H])nc([H])c([H])c12)c1c([H])c([H])c(Br)c([H])c1[H] | VALLYSGLUPHELEUALALYSALALYSGLUASPPHELEULYSLYSTRPGLUASNPROALAGLNASNTHRALAHISLEUASPGLNPHEGLUARGILELYSTHRLEUGLYTHRGLYSERPHEGLYARGVALMETLEUVALLYSHISMETGLUTHRGLYASNHISTYRALAMETLYSILELEUASPLYSGLNLYSVALVALLYSLEULYSGLNILEGLUHISTHRLEUASNGLULYSARGILELEUGLNALAVALASNPHEPROPHELEUVALLYSLEUGLUPHESERPHELYSASPASNSERASNLEUTYRMETVALMETGL... | 7.946905 | 0.200217 | K(47)-T(48)-L(49)-G(50)-T(51)-G(52)-S(53)-F(54)-G(55)-R(56)-V(57)-M(58)-L(59)-Y(69)-A(70)-M(71)-K(72)-I(73)-L(74)-D(75)-V(79)-L(82)-E(91)-L(95)-V(104)-K(105)-L(106)-M(118)-V(119)-M(120)-E(121)-Y(122)-V(123)-A(124)-G(125)-G(126)-E(127)-M(128)-F(129)-Y(164)-D(166)-K(168)-P(169)-E(170)-N(171)-L(172)-L(173)-I(174)-D(175)-Q... |
2ccc | 168 | [H]c1c(C([H])([H])[H])c(C([H])([H])[H])c([H])c2c1nc1c([n+]2C([H])([H])[H])N([H])C(=O)N([H])C1=O | VALPHELYSLYSVALLEULEUTHRGLYTHRSERGLUGLUSERPHETHRALAALAALAASPASPALAILEASPARGALAGLUASPTHRLEUASPASNVALVALTRPALAGLUVALVALASPGLNGLYVALGLUILEGLYALAVALGLUGLUARGTHRTYRGLNTHRGLUVALGLNVALALAPHEGLULEUASPVALPHELYSLYSVALLEULEUTHRGLYTHRSERGLUGLUSERPHETHRALAALAALAASPASPALAILEASPARGALAGLUASPTHRLEUASPASNVALVALTRPALAGLUVALVALASPGLNGLYVA... | 6.250111 | 0.428737 | F(3)-K(5)-V(35)-W(36)-A(37)-E(38)-V(39)-V(58)-Q(59)-A(61)-E(63)-T(9)-T(11)-F(16)-D(41)-Q(42)-G(43)-V(44)-E(45)-I(46)-G(47)-A(48)-V(49)-T(53)-Y(54)-Q(55)-T(56)-E(57)-T(9)-G(10)-T(11)-D(41)-Q(42)-G(43)-V(44)-E(45)-I(46)-A(48)-V(49)-T(53)-Q(55)-T(56)-E(57)-F(3)-K(5)-V(35)-W(36)-A(37)-E(38) |
2v59 | 181 | [H]c1c([H])c(OC([H])([H])[H])c(-c2c(N([H])[H])nc3nc(N([H])[H])nc([H])c3c2[H])c(OC([H])([H])[H])c1[H] | METLEUASPLYSILEVALILEALAASNARGGLYGLUILEALALEUARGILELEUARGALACYSLYSGLULEUGLYILELYSTHRVALALAVALHISSERSERALAASPARGASPLEULYSHISVALLEULEUALAASPGLUTHRVALCYSILEGLYPROALAPROSERVALLYSSERTYRLEUASNILEPROALAILEILESERALAALAGLUILETHRGLYALAVALALAILEHISPROGLYTYRGLYPHELEUSERGLUASNALAASNPHEALAGLUGLNVALGLUARGSERGLYPHEILEPHEILEGLYPROLYSAL... | 7.935702 | 0.05363 | I(120)-C(130)-V(131)-P(132)-G(133)-I(152)-P(155)-V(156)-I(157)-I(158)-K(159)-G(164)-G(165)-G(166)-R(167)-M(169)-R(170)-V(171)-R(173)-Y(199)-M(200)-E(201)-K(202)-Y(203)-L(204)-E(205)-N(206)-P(207)-R(208)-H(209)-V(210)-E(211)-C(230)-S(231)-Q(233)-R(234)-R(235)-H(236)-Q(237)-K(238)-E(276)-F(277)-L(278)-F(279)-E(280)-Y(285... |
6eqp | 101 | [H]c1c([H])c([H])c2c(c1[H])Sc1c([H])c([H])c([H])c([H])c1N2C([H])([H])[C@@]([H])(C([H])([H])[H])[N+]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H] | ILEILEILEALATHRLYSASNGLYLYSVALARGGLYMETGLNLEUTHRVALPHEGLYGLYTHRVALTHRALAPHELEUGLYILEPROTYRALAGLNPROPROLEUGLYARGLEUARGPHELYSLYSPROGLNSERLEUTHRLYSTRPSERASPILETRPASNALATHRLYSTYRALAASNSERCYSCYSGLNASNILEASPGLNSERPHEPROGLYPHEHISGLYSERGLUMETTRPASNPROASNTHRASPLEUSERGLUASPCYSLEUTYRLEUASNVALTRPILEPROALAPROLYSPROLYSASNALATHRVALLE... | 5.804728 | 0.20984 | Q(67)-N(68)-I(69)-D(70)-S(72)-F(73)-G(78)-S(79)-E(80)-M(81)-W(82)-N(83)-G(115)-G(116)-G(117)-F(118)-Q(119)-T(120)-G(121)-L(125)-Y(128)-G(149)-E(197)-S(198)-A(199)-G(200)-S(224)-G(225)-A(229)-P(230)-W(231)-A(232)-T(284)-P(285)-L(286)-S(287)-V(288)-N(289)-F(290)-A(328)-F(329)-L(330)-V(331)-Y(332)-N(397)-F(398)-W(430)-M(4... |
3hky | 139 | [H]Oc1c([H])c([H])c([H])c2c1N([H])C1=C([C@]([H])(c3c([H])c([H])c(OC([H])([H])C(=C([H])[H])C([H])([H])[H])c([H])c3F)N2C(=O)C2=C(C([H])([H])[H])OC(C([H])([H])[H])=N2)S(=O)(=O)C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H] | SERSERMETSERTYRTHRTRPTHRGLYALALEUILETHRPROCYSALAALAGLUGLUSERLYSLEUPROILEASNPROLEUSERASNSERLEULEUARGHISHISASNMETVALTYRALATHRTHRSERARGSERALASERLEUARGGLNLYSLYSVALTHRPHEASPARGLEUGLNVALLEUASPASPHISTYRARGASPVALLEULYSGLUMETLYSALALYSALASERTHRVALLYSALALYSLEULEUSERILEGLUGLUALACYSLYSLEUTHRPROPROHISSERALALYSSERLYSPHEGLYTYRGLYALALY... | 7.79718 | 0.271536 | K(141)-E(143)-R(158)-G(192)-F(193)-Y(195)-S(196)-P(197)-K(198)-Q(199)-R(200)-V(201)-L(204)-F(224)-D(225)-S(282)-T(287)-S(288)-N(291)-L(314)-N(316)-G(317)-D(318)-D(319)-T(364)-S(365)-C(366)-S(367)-S(368)-N(369)-Y(383)-L(384)-T(385)-R(386)-T(390)-P(391)-R(394)-E(398)-I(405)-N(406)-S(407)-W(408)-L(409)-G(410)-N(411)-I(412... |
6mjf | 143 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=Nc3c(N([H])[H])nc([H])nc32)O[C@]1([H])C([H])([H])SC([H])([H])C([H])([H])[C@@]([H])(C(=O)[O-])[N+]([H])([H])[H] | PROGLYSERLEUILEVALVALGLYTHRGLYILEGLUSERILEGLYGLNMETTHRLEUGLNALALEUSERTYRILEGLUALAALASERLYSVALPHETYRCYSVALILEASPPROALATHRGLUALAPHEILELEUTHRLYSASNLYSASNCYSVALASPLEUTYRGLNTYRTYRASPASNGLYLYSSERARGMETASPTHRTYRTHRGLNMETALAGLULEUMETLEULYSGLUVALARGASNGLYLEUASPVALVALGLYVALPHETYRGLYHISPROGLYVALPHEVALASNPROSERHISARGALALEUALAILEAL... | 7.800522 | 0.18298 | G(15)-T(16)-G(17)-I(18)-E(19)-Q(23)-C(41)-I(43)-Y(65)-R(71)-Y(75)-F(96)-Y(97)-G(98)-H(99)-P(100)-G(101)-V(102)-F(103)-V(104)-N(105)-S(107)-G(126)-V(127)-S(128)-A(129)-E(130)-D(131)-C(132)-L(133)-D(136)-Y(149)-E(150)-A(151)-I(168)-L(169)-F(170)-Q(171)-V(172)-G(173)-C(174)-F(185)-H(209)-Y(210)-I(211)-A(212)-A(213)-M(214)... |
2fzg | 154 | [H]c1c([H])c(N([H])C(=O)C([H])([H])P(=O)([O-])[O-])c([H])c(N([H])C(=O)C([H])([H])P(=O)([O-])[O-])c1[H] | ALAASNPROLEUTYRGLNLYSHISILEILESERILEASNASPLEUSERARGASPASPLEUASNLEUVALLEUALATHRALAALALYSLEULYSALAASNPROGLNPROGLULEULEULYSHISLYSVALILEALASERCYSPHEPHEGLUALASERTHRARGTHRARGLEUSERPHEGLUTHRSERMETHISARGLEUGLYALASERVALVALGLYPHESERASPSERALAASNTHRSERLEUGLYLYSLYSGLYGLUTHRLEUALAASPTHRILESERVALILESERTHRTYRVALASPALAILEVALMETARGHISPR... | 4.228462 | 0.176899 | F(48)-E(50)-A(51)-S(52)-T(53)-R(54)-T(55)-R(56)-L(57)-S(58)-F(59)-R(105)-A(127)-G(128)-D(129)-G(130)-S(131)-Q(133)-H(134)-T(136)-Q(137)-L(140)-D(141)-V(160)-G(161)-D(162)-L(163)-Y(165)-G(166)-R(167)-T(168)-V(169)-H(170)-S(171)-Y(226)-M(227)-T(228)-R(229)-V(230)-Q(231)-R(234)-H(265)-P(266)-L(267)-P(268)-R(269)-E(272)-Q(... |
6n3y | 138 | [H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2C([H])=NC3=C2N([H])C(=[N+]([H])[H])N([H])C3=O)O[C@]1([H])C([H])([H])OC(=O)N([H])C([H])([H])C([H])([H])C1=C([H])N([H])c2c([H])c([H])c([H])c([H])c21 | ARGPROGLYGLYASPTHRILEPHEGLYLYSILEILEARGLYSGLUILEPROALALYSILEILEPHEGLUASPASPARGCYSLEUALAPHEHISASPILESERPROGLNALAPROTHRHISPHELEUVALILEPROLYSLYSHISILESERGLNILESERVALALAGLUASPASPASPGLUSERLEULEUGLYHISLEUMETILEVALGLYLYSLYSCYSALAALAASPLEUGLYLEUASNLYSGLYTYRARGMETVALVALASNGLUGLYSERASPGLYGLYGLNSERVALTYRHISVALHISLEUHISVALLEUGLYGL... | 5.516999 | 0.195151 | I(18)-F(19)-I(22)-I(27)-P(28)-A(29)-K(30)-F(41)-H(42)-D(43)-I(44)-S(45)-P(46)-Q(47)-H(51)-F(52)-L(53)-I(55)-V(97)-V(98)-N(99)-E(100)-G(101)-S(102)-D(103)-G(104)-G(105)-Q(106)-S(107)-V(108)-Y(109)-H(110)-H(112)-L(113)-H(114)-G(126)-R(95)-Q(120)-M(121)-H(122)-W(123)-P(124)-P(125) |
3g34 | 179 | [H]C1=NC2=C(C(=O)N1C([H])([H])C1=NN([H])N=N1)C1=C(S2)C([H])([H])C([H])([H])C([H])([H])C1([H])[H] | THRSERALAVALGLNGLNLYSLEUALAALALEUGLULYSSERSERGLYGLYARGLEUGLYVALALALEUILEASPTHRALAASPASNTHRGLNVALLEUTYRARGGLYASPGLUARGPHEPROMETCYSSERTHRSERLYSVALMETALAALAALAALAVALLEULYSGLNSERGLUTHRGLNLYSGLNLEULEUASNGLNPROVALGLUILELYSPROALAASPLEUVALASNTYRASNPROILEALAGLULYSHISVALASNGLYTHRMETTHRLEUALAGLULEUSERALAALAALALEUGLNTYRSERASPASNTH... | 5.327476 | 0.72364 | M(68)-C(69)-S(70)-T(71)-S(72)-K(73)-N(104)-Y(105)-N(106)-P(107)-A(126)-L(127)-Q(128)-Y(129)-S(130)-D(131)-N(132)-E(166)-P(167)-N(170)-N(214)-T(215)-T(216)-G(217)-S(220)-D(233)-K(234)-T(235)-G(236)-S(237)-G(238)-D(240)-G(242)-T(243)-T(244)-N(245)-D(246)-N(271)-A(272)-E(273)-S(274)-R(275)-R(276) |
3fvh | 175 | [H]OC([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])[H])[C@]([H])(OP(=O)([O-])[O-])C([H])([H])[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1 | ASPCYSHISLEUSERASPMETLEUGLNGLNLEUHISSERVALASNALASERLYSPROSERGLUARGGLYLEUVALARGGLNGLUGLUALAGLUASPPROALACYSILEPROILEPHETRPVALSERLYSTRPVALASPTYRSERASPLYSTYRGLYLEUGLYTYRGLNLEUCYSASPASNSERVALGLYVALLEUPHEASNASPSERTHRARGLEUILELEUTYRASNASPGLYASPSERLEUGLNTYRILEGLUARGASPGLYTHRGLUSERTYRLEUTHRVALSERSERHISPROASNSERLEUMETLYSLYSILETH... | 5.364342 | 0.290883 | V(411)-S(412)-K(413)-W(414)-V(415)-D(416)-Y(417)-S(418)-D(419)-G(422)-L(423)-G(424)-Y(425)-Q(426)-F(482)-Y(485)-M(486)-E(488)-H(489)-L(490)-L(491)-K(492)-A(493)-G(494)-W(514)-R(516)-A(520)-I(521)-L(523)-Q(531)-N(533)-F(534)-F(535)-Q(536)-D(537)-H(538)-T(539)-K(540)-I(553)-D(554)-E(555)-R(557) |
5l8y | 148 | [H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)c1c([H])c([H])c(-c2c([H])c(C3=NN(C4([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])C(=O)[C@]4([H])C([H])([H])C([H])=C([H])C([H])([H])[C@]34[H])c([H])c([H])c2OC([H])([H])[H])c([H])c1[H] | VALTHRALAILETHRLYSVALGLUARGGLUALAVALLEUVALCYSGLULEUPROSERPHEASPVALTHRASPVALGLUPHEASPLEUPHEARGALAARGGLUSERTHRASPLYSPROLEUASPVALALAALAALAILEALATYRARGLEULEULEUGLYSERGLYLEUPROGLNLYSPHEGLYCYSSERASPGLUVALLEULEUASNPHEILELEUGLNCYSARGLYSLYSTYRARGASNVALPROTYRHISASNPHETYRHISVALVALASPVALCYSGLNTHRILEHISTHRPHELEUTYRARGGLYASNVALTYRGL... | 7.723968 | 0.199265 | Y(668)-H(669)-H(673)-H(709)-D(710)-H(713)-N(717)-N(718)-S(719)-L(741)-E(742)-T(783)-D(784)-M(785)-A(786)-K(787)-H(788)-L(818)-K(819)-G(821)-D(822)-I(823)-S(824)-N(825)-V(826)-T(827)-S(833)-R(834)-Q(835)-W(836)-A(837)-M(838)-A(839)-V(840)-T(841)-E(842)-E(843)-F(844)-Y(845)-L(859)-P(860)-M(861)-F(862)-D(863)-R(864)-K(866... |
6g24 | 142 | [H]C1=C([H])C([H])=C(C([H])=C([H])c2c([H])c([H])c([H])c([H])c2C(=O)[O-])S1 | VALLYSPHEGLNVALGLYASPLEUVALTRPSERLYSVALGLYTHRTYRPROTRPTRPPROCYSMETVALSERSERASPPROGLNLEUGLUVALHISTHRLYSILEASNTHRARGGLYALAARGGLUTYRHISVALGLNPHEPHESERASNGLNPROGLUARGALATRPVALHISGLULYSARGVALARGGLUTYRLYSGLYHISLYSGLNTYRGLUGLULEULEUALAGLUALATHRLYSILEARGLYSPROARGPROGLNARGGLUARGALAGLNTRPASPILEGLYILEALAHISALAGLULYSALALEULYSMETTH... | 4.715568 | 0.217275 | W(284)-P(285)-M(287)-Q(311)-F(312)-F(313)-S(314)-N(315)-Q(316)-P(317)-E(318)-A(366)-Q(367)-W(368)-D(369)-I(370)-G(371)-I(372)-A(373)-H(374)-A(375)-R(386)-E(388)-Q(389)-Y(390)-T(391)-F(392)-I(393) |
2vnp | 102 | [H]C([H])(O[P@](=O)([O-])OP(=O)([O-])[O-])C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H] | GLUHISVALILELEULEUASNALAGLNGLYVALPROTHRGLYTHRLEUGLULYSTYRALAALAHISTHRALAASPTHRARGLEUHISLEUALAPHESERSERTRPLEUPHEASNALALYSGLYGLNLEULEUVALTHRARGARGALALEUSERLYSLYSALATRPPROGLYVALTRPTHRASNSERVALCYSGLYHISPROGLNLEUGLYGLUSERASNGLUASPALAVALILEARGARGCYSARGTYRGLULEUGLYVALGLUILETHRPROPROGLUSERILETYRPROASPPHEARGTYRARGALATHRASPPROSE... | 4.465302 | 0.144643 | E(4)-H(5)-V(6)-K(21)-Y(22)-H(25)-H(32)-L(33)-A(34)-F(35)-S(36)-S(37)-R(51)-A(52)-K(55)-K(56)-A(57)-W(58)-P(59)-T(63)-N(64)-S(65)-V(66)-C(67)-G(68)-H(69)-P(70)-Q(71)-A(79)-R(82)-R(83)-Y(86)-E(87)-F(102)-Y(104)-A(106)-I(112)-E(114)-N(115)-E(116)-V(117)-C(118)-P(119)-V(120)-E(135)-V(136)-S(159)-P(160)-W(161)-M(162)-Q(165) |
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