Dataset Viewer
protein_id
stringlengths 4
4
| n_samples
int64 10
22
| ligand_smi
stringlengths 52
396
| protein_aa
stringlengths 495
2.34k
| npkd
float64 4.44
8.48
| std
float64 0
0.35
| pocket
stringlengths 202
412
|
|---|---|---|---|---|---|---|
1add
| 10 |
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=Nc3c2nc([H])c([H])c3N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
|
THRPROALAPHEASNLYSPROLYSVALGLULEUHISVALHISLEUASPGLYALAILELYSPROGLUTHRILELEUTYRPHEGLYLYSLYSARGGLYILEALALEUPROALAASPTHRVALGLUGLULEUARGASNILEILEGLYMETASPLYSPROLEUSERLEUPROGLYPHELEUALALYSPHEASPTYRTYRMETPROVALILEALAGLYCYSARGGLUALAILELYSARGILEALATYRGLUPHEVALGLUMETLYSALALYSGLUGLYVALVALTYRVALGLUVALARGTYRSERPROHISLEULEUALAASNSERLYSVALASPPROMETPROTRPASNGLNTHRGLUGLYASPVALTHRPROASPASPVALVALASPLEUVALASNGLNGLYLEUGLNGLUGLYGLUGLNALAPHEGLYILELYSVALARGSERILELEUCYSCYSMETARGHISGLNPROSERTRPSERLEUGLUVALLEUGLULEUCYSLYSLYSTYRASNGLNLYSTHRVALVALALAMETASPLEUALAGLYASPGLUTHRILEGLUGLYSERSERLEUPHEPROGLYHISVALGLUALATYRGLUGLYALAVALLYSASNGLYILEHISARGTHRVALHISALAGLYGLUVALGLYSERPROGLUVALVALARGGLUALAVALASPILELEULYSTHRGLUARGVALGLYHISGLYTYRHISTHRILEGLUASPGLUALALEUTYRASNARGLEULEULYSGLUASNMETHISPHEGLUVALCYSPROTRPSERSERTYRLEUTHRGLYALATRPASPPROLYSTHRTHRHISALAVALVALARGPHELYSASNASPLYSALAASNTYRSERLEUASNTHRASPASPPROLEUILEPHELYSSERTHRLEUASPTHRASPTYRGLNMETTHRLYSLYSASPMETGLYPHETHRGLUGLUGLUPHELYSARGLEUASNILEASNALAALALYSSERSERPHELEUPROGLUGLUGLULYSLYSGLULEULEUGLUARGLEUTYRARGGLUTYRGLN
| 7.015505 | 0.028764 |
H(15)-V(16)-H(17)-L(18)-D(19)-G(20)-A(21)-S(57)-L(58)-P(59)-F(61)-L(62)-A(63)-F(65)-Y(68)-M(69)-V(100)-R(101)-Y(102)-S(103)-P(104)-H(105)-L(106)-L(107)-W(117)-I(151)-L(152)-C(153)-C(154)-M(155)-R(156)-W(161)-D(181)-L(182)-A(183)-G(184)-D(185)-E(186)-T(187)-H(214)-E(217)-V(218)-H(238)-Y(240)-C(262)-S(265)-S(266)-T(269)-A(271)-T(294)-D(295)-D(296)-I(299)-F(300)
|
1bnt
| 11 |
[H]O[C@]1([H])C2=C(SC(S(=O)(=O)N([H])[H])=C2[H])S(=O)(=O)N(c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])C1([H])[H]
|
HISTRPGLYTYRGLYLYSHISASNGLYPROGLUHISTRPHISLYSASPPHEPROILEALALYSGLYGLUARGGLNSERPROVALASPILEASPTHRHISTHRALALYSTYRASPPROSERLEULYSPROLEUSERVALSERTYRASPGLNALATHRSERLEUARGILELEUASNASNGLYHISALAPHEASNVALGLUPHEASPASPSERGLNASPLYSALAVALLEULYSGLYGLYPROLEUASPGLYTHRTYRARGLEUILEGLNPHEHISPHEHISTRPGLYSERLEUASPGLYGLNGLYSERGLUHISTHRVALASPLYSLYSLYSTYRALAALAGLULEUHISLEUVALHISTRPASNTHRLYSTYRGLYASPPHEGLYLYSALAVALGLNGLNPROASPGLYLEUALAVALLEUGLYILEPHELEULYSVALGLYSERALALYSPROGLYLEUGLNLYSVALVALASPVALLEUASPSERILELYSTHRLYSGLYLYSSERALAASPPHETHRASNPHEASPPROARGGLYLEULEUPROGLUSERLEUASPTYRTRPTHRTYRPROGLYSERLEUTHRTHRPROPROLEULEUGLUCYSVALTHRTRPILEVALLEULYSGLUPROILESERVALSERSERGLUGLNVALLEULYSPHEARGLYSLEUASNPHEASNGLYGLUGLYGLUPROGLUGLULEUMETVALASPASNTRPARGPROALAGLNPROLEULYSASNARGGLNILELYSALASERPHE
| 4.440685 | 0.058691 |
W(5)-Y(7)-W(16)-S(29)-P(30)-N(62)-H(64)-A(65)-N(67)-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)-G(132)-K(133)-A(134)-V(135)-Q(136)-L(141)-A(142)-V(143)-L(144)-G(145)-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)
|
6eyb
| 11 |
[H]Oc1c(C2=C([H])C([H])=NN2c2c([H])c([H])c([H])c([H])c2[H])c([H])c2c(c1[H])=NN([H])C=2C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
|
VALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALEUGLNALAGLYALAASPILESERMETILEGLYGLNPHEGLYVALGLYPHETYRSERALATYRLEUVALALAGLULYSVALTHRVALILETHRLYSHISASNASPASPGLUGLNTYRALATRPGLUSERSERALAGLYGLYSERPHETHRVALARGTHRASPTHRGLYGLUPROMETGLYARGGLYTHRLYSVALILELEUHISLEULYSGLUASPGLNTHRGLUTYRLEUGLUGLUARGARGILELYSGLUILEVALLYSLYSHISSERGLNPHEILEGLYTYRPROILETHRLEUPHEVALGLU
| 8.479246 | 0.029926 |
F(22)-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)-I(104)-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(163)-S(164)-F(170)-V(172)-G(183)-T(184)-K(185)-V(186)
|
5zo8
| 14 |
[H]c1c([H])c([H])c(C(SC([H])([H])[C@@]([H])(C(=O)[O-])[N+]([H])([H])[H])(c2c([H])c([H])c([H])c([H])c2[H])c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c([H])c1[H]
|
METLYSASNILEGLNVALVALVALARGCYSARGPROPHEASNLEUALAGLUARGLYSALASERALAHISSERILEVALGLUCYSASPPROVALARGLYSGLUVALSERVALARGTHRSERSERARGLYSTHRTYRTHRPHEASPMETVALPHEGLYALASERTHRLYSGLNILEASPVALTYRARGSERVALVALCYSPROILELEUASPGLUVALILEMETGLYTYRASNCYSTHRILEPHEALATYRGLYGLNTHRGLYTHRGLYLYSTHRPHETHRMETGLUGLYGLUARGSERPROASNGLUGLUTYRTHRTRPGLUGLUASPPROLEUALAGLYILEILEPROARGTHRLEUHISGLNILEPHEGLULYSLEUTHRASPASNGLYTHRGLUPHESERVALLYSVALSERLEULEUGLUILETYRASNGLUGLULEUPHEASPLEULEUASNPROSERSERASPVALSERGLUARGLEUGLNMETPHEASPASPPROARGASNLYSARGGLYVALILEILELYSGLYLEUGLUGLUILETHRVALHISASNLYSASPGLUVALTYRGLNILELEUGLULYSGLYALAALALYSARGTHRTHRALAALATHRLEUMETASNALATYRSERSERARGSERHISSERVALPHESERVALTHRILEHISMETLYSGLUTHRTHRILEASPGLYGLUGLULEUVALLYSILEGLYLYSLEUASNLEUVALASPLEUALAGLYSERGLUASNASNILEASNGLNSERLEULEUTHRLEUGLYARGVALILETHRALALEUVALGLUARGTHRPROHISVALPROTYRARGGLUSERLYSLEUTHRARGILELEUGLNASPSERLEUGLYGLYARGTHRARGTHRSERILEILEALATHRILESERPROALASERLEUASNLEUGLUGLUTHRLEUSERTHRLEUGLUTYRALAHISARGALALYSASNILELEUASNLYSPROGLUVALASNGLN
| 6.689459 | 0.106684 |
Q(78)-K(111)-T(112)-F(113)-T(114)-M(115)-E(116)-G(117)-E(118)-R(119)-S(120)-T(126)-W(127)-E(128)-E(129)-D(130)-P(131)-L(132)-A(133)-G(134)-I(135)-I(136)-P(137)-R(138)-L(140)-S(159)-L(160)-L(161)-E(162)-L(171)-L(172)-V(210)-Y(211)-Q(212)-I(213)-L(214)-E(215)-K(216)-G(217)-A(218)-A(219)-R(221)-T(222)-S(232)-S(237)-V(238)-F(239)-S(240)-L(263)-D(265)
|
2fmb
| 11 |
[H]O[C@@]([H])(C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])c1c([H])c([H])c([H])c2c([H])c([H])c([H])c([H])c12)C([H])([H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c2c([H])c([H])c([H])c([H])c12)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
|
VALTHRTYRASNLEUGLULYSARGPROTHRTHRILEVALLEUILEASNASPTHRPROLEUASNVALLEULEUASPTHRGLYALAASPTHRSERVALLEUTHRTHRALAHISTYRASNARGLEULYSTYRARGGLYARGLYSTYRGLNGLYTHRGLYILEGLYGLYVALGLYGLYASNVALGLUTHRPHESERTHRPROVALTHRILELYSLYSLYSGLYARGHISILELYSTHRARGMETLEUVALALAASPILEPROVALTHRILELEUGLYARGASPILELEUGLNASPLEUGLYALALYSLEUVALLEUVALTHRTYRASNLEUGLULYSARGPROTHRTHRILEVALLEUILEASNASPTHRPROLEUASNVALLEULEUASPTHRGLYALAASPTHRSERVALLEUTHRTHRALAHISTYRASNARGLEULYSTYRARGGLYARGLYSTYRGLNGLYTHRGLYILEGLYGLYVALGLYGLYASNVALGLUTHRPHESERTHRPROVALTHRILELYSLYSLYSGLYARGHISILELYSTHRARGMETLEUVALALAASPILEPROVALTHRILELEUGLYARGASPILELEUGLNASPLEUGLYALALYSLEUVALLEU
| 8.136534 | 0.301948 |
R(8)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-T(30)-S(31)-V(32)-T(34)-T(51)-G(52)-I(53)-G(54)-G(55)-V(56)-G(57)-G(58)-N(59)-V(60)-T(62)-L(81)-A(83)-I(85)-P(86)-V(87)-T(88)-I(89)-L(90)-G(91)-R(92)-R(8)-P(9)-T(10)-L(23)-L(24)-D(25)-T(26)-G(27)-A(28)-D(29)-T(30)-S(31)-V(32)-T(34)-T(51)-G(52)-I(53)-G(54)-G(55)-V(56)-G(57)-G(58)-N(59)-V(60)-T(62)-L(81)-A(83)-I(85)-P(86)-V(87)-T(88)-I(89)-G(91)-R(92)
|
4cpy
| 11 |
[H]C1=C(C(=O)[O-])C([H])([H])[C@]([H])([N+]([H])([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]1([H])OC([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
|
GLUPROGLUTRPTHRTYRPROARGLEUSERCYSPROGLYSERTHRPHEGLNLYSALALEULEUILESERPROHISARGPHEGLYGLUTHRLYSGLYASNSERALAPROLEUILEILEARGGLUPROPHEILEALACYSGLYPROASNGLUCYSLYSHISPHEALALEUTHRHISTYRALAALAGLNPROGLYGLYTYRTYRASNGLYTHRARGGLYASPARGASNLYSLEUARGHISLEUILESERVALLYSLEUGLYLYSILEPROTHRVALGLUASNSERILEPHEHISMETALAALATRPSERGLYSERALACYSHISASPGLYLYSGLUTRPTHRTYRILEGLYVALASPGLYPROASPASNASPALALEULEULYSVALLYSTYRGLYGLUALATYRTHRASPTHRTYRHISSERTYRALAASNLYSLEULEUARGTHRGLNGLUSERALACYSASNCYSILEGLYGLYASNCYSTYRLEUMETILETHRASPGLYSERALASERGLYVALSERGLUCYSARGPHELEULYSILEARGGLUGLYARGILEILELYSGLUILEPHEPROTHRGLYARGVALLYSHISTHRGLUGLUCYSTHRCYSGLYPHEALASERASNLYSTHRILEGLUCYSALACYSARGASPASNSERTYRTHRALALYSARGPROPHEVALLYSLEUASNVALGLUTHRASPTHRALAGLUILEARGLEUMETCYSTHRASPTHRTYRLEUASPTHRPROARGPROASPASPGLYSERILETHRGLYPROCYSGLUSERASNGLYASPLYSGLYSERGLYGLYILELYSGLYGLYPHEVALHISGLNARGMETGLUSERLYSILEGLYARGTRPTYRSERARGTHRMETSERLYSTHRGLUARGMETGLYMETGLYLEUTYRVALLYSTYRASPGLYASPPROTRPALAASPSERASPALALEUALAPHESERGLYVALMETVALSERMETLYSGLUPROGLYTRPTYRSERPHEGLYPHEGLUILELYSASPLYSGLUCYSASPVALPROCYSILEGLYILEGLUMETVALHISASPGLYGLYLYSGLUTHRTRPHISSERALAALATHRALAILETYRCYSLEUMETGLYSERGLYGLNLEULEUTRPASPTHRVALTHRGLYVALASPMETALALEUGLUPROGLUTRPTHRTYRPROARGLEUSERCYSPROGLYSERTHRPHEGLNLYSALALEULEUILESERPROHISARGPHEGLYGLUTHRLYSGLYASNSERALAPROLEUILEILEARGGLUPROPHEILEALACYSGLYPROASNGLUCYSLYSHISPHEALALEUTHRHISTYRALAALAGLNPROGLYGLYTYRTYRASNGLYTHRARGGLYASPARGASNLYSLEUARGHISLEUILESERVALLYSLEUGLYLYSILEPROTHRVALGLUASNSERILEPHEHISMETALAALATRPSERGLYSERALACYSHISASPGLYLYSGLUTRPTHRTYRILEGLYVALASPGLYPROASPASNASPALALEULEULYSVALLYSTYRGLYGLUALATYRTHRASPTHRTYRHISSERTYRALAASNLYSLEULEUARGTHRGLNGLUSERALACYSASNCYSILEGLYGLYASNCYSTYRLEUMETILETHRASPGLYSERALASERGLYVALSERGLUCYSARGPHELEULYSILEARGGLUGLYARGILEILELYSGLUILEPHEPROTHRGLYARGVALLYSHISTHRGLUGLUCYSTHRCYSGLYPHEALASERASNLYSTHRILEGLUCYSALACYSARGASPASNSERTYRTHRALALYSARGPROPHEVALLYSLEUASNVALGLUTHRASPTHRALAGLUILEARGLEUMETCYSTHRASPTHRTYRLEUASPTHRPROARGPROASPASPGLYSERILETHRGLYPROCYSGLUSERASNGLYASPLYSGLYSERGLYGLYILELYSGLYGLYPHEVALHISGLNARGMETGLUSERLYSILEGLYARGTRPTYRSERARGTHRMETSERLYSTHRGLUARGMETGLYMETGLYLEUTYRVALLYSTYRASPGLYASPPROTRPALAASPSERASPALALEUALAPHESERGLYVALMETVALSERMETLYSGLUPROGLYTRPTYRSERPHEGLYPHEGLUILELYSASPLYSGLUCYSASPVALPROCYSILEGLYILEGLUMETVALHISASPGLYGLYLYSGLUTHRTRPHISSERALAALATHRALAILETYRCYSLEUMETGLYSERGLYGLNLEULEUTRPASPTHRVALTHRGLYVALASPMETALALEU
| 6.238891 | 0.18154 |
R(115)-E(116)-L(131)-H(133)-R(146)-G(147)-D(148)-R(149)-N(150)-R(153)-W(176)-S(177)-G(178)-V(192)-D(196)-L(220)-L(221)-R(222)-T(223)-E(225)-T(240)-G(242)-S(243)-A(244)-S(245)-S(248)-H(272)-E(274)-E(275)-R(291)-N(293)-T(324)-G(345)-G(346)-I(347)-K(348)-R(373)-W(407)-Y(408)-E(427)-V(429)-H(438)
|
5ewk
| 12 |
[H]c1c([H])c([H])c2c(c1[H])C(=O)N([H])c1c([H])c([H])c(N([H])C(=O)C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1-2
|
LYSALAALAALAPROALACYSPROARGPHEASPASPPROVALHISALAALAALAASPPROARGVALASPVALGLUARGILETHRPROASPPROVALTRPARGTHRTHRCYSGLYTHRLEUTYRARGSERASPSERARGGLYPROALAVALVALPHEGLUGLNGLYPHELEUPROLYSASPVALILEASPGLYGLNTYRASPILEGLUSERTYRVALLEUVALASNGLNPROSERPROTYRVALSERTHRTHRTYRASPHISASPLEUTYRLYSTHRTRPTYRLYSSERGLYTYRASNTYRTYRILEASPALAPROGLYGLYVALASPVALASNLYSTHRILEGLYASPARGHISLYSTRPALAASPGLNVALGLUVALALAPHEPROGLYGLYILEARGTHRGLUPHEVALILEGLYVALCYSPROVALASPLYSLYSTHRARGTHRGLULYSMETSERGLUCYSVALGLYASNPROHISTYRGLUPROTRPHIS
| 5.746775 | 0.313368 |
L(75)-Y(76)-R(77)-S(78)-D(79)-S(80)-R(81)-F(91)-L(92)-P(93)-K(94)-D(95)-Y(106)-V(107)-N(110)-Q(111)-P(112)-S(113)-P(114)-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)-D(157)-Q(158)-V(159)-E(160)-V(161)-A(162)
|
3ng4
| 11 |
[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]
|
GLUASPPROPROALACYSGLYSERILEVALPROARGARGGLUTRPARGALALEUALASERGLUCYSARGGLUARGLEUTHRARGPROVALARGTYRVALVALVALSERHISTHRALAGLYSERHISCYSASPTHRPROALASERCYSALAGLNGLNALAGLNASNVALGLNSERTYRHISVALARGASNLEUGLYTRPCYSASPVALGLYTYRASNPHELEUILEGLYGLUASPGLYLEUVALTYRGLUGLYARGGLYTRPASNILELYSGLYALAHISALAGLYPROTHRTRPASNPROILESERILEGLYILESERPHEMETGLYASNTYRMETASNARGVALPROPROPROARGALALEUARGALAALAGLNASNLEULEUALACYSGLYVALALALEUGLYALALEUARGSERASNTYRGLUVALLYSGLYHISARGASPVALGLNPROTHRLEUSERPROGLYASPARGLEUTYRGLUILEILEGLNTHRTRPSERHISTYRARGALAGLUASPPROPROALACYSGLYSERILEVALPROARGARGGLUTRPARGALALEUALASERGLUCYSARGGLUARGLEUTHRARGPROVALARGTYRVALVALVALSERHISTHRALAGLYSERHISCYSASPTHRPROALASERCYSALAGLNGLNALAGLNASNVALGLNSERTYRHISVALARGASNLEUGLYTRPCYSASPVALGLYTYRASNPHELEUILEGLYGLUASPGLYLEUVALTYRGLUGLYARGGLYTRPASNILELYSGLYALAHISALAGLYPROTHRTRPASNPROILESERILEGLYILESERPHEMETGLYASNTYRMETASNARGVALPROPROPROARGALALEUARGALAALAGLNASNLEULEUALACYSGLYVALALALEUGLYALALEUARGSERASNTYRGLUVALLYSGLYHISARGASPVALGLNPROTHRLEUSERPROGLYASPARGLEUTYRGLUILEILEGLNTHRTRPSERHISTYRARGALAGLUASPPROPROALACYSGLYSERILEVALPROARGARGGLUTRPARGALALEUALASERGLUCYSARGGLUARGLEUTHRARGPROVALARGTYRVALVALVALSERHISTHRALAGLYSERHISCYSASPTHRPROALASERCYSALAGLNGLNALAGLNASNVALGLNSERTYRHISVALARGASNLEUGLYTRPCYSASPVALGLYTYRASNPHELEUILEGLYGLUASPGLYLEUVALTYRGLUGLYARGGLYTRPASNILELYSGLYALAHISALAGLYPROTHRTRPASNPROILESERILEGLYILESERPHEMETGLYASNTYRMETASNARGVALPROPROPROARGALALEUARGALAALAGLNASNLEULEUALACYSGLYVALALALEUGLYALALEUARGSERASNTYRGLUVALLYSGLYHISARGASPVALGLNPROTHRLEUSERPROGLYASPARGLEUTYRGLUILEILEGLNTHRTRPSERHISTYRARGALAGLUASPPROPROALACYSGLYSERILEVALPROARGARGGLUTRPARGALALEUALASERGLUCYSARGGLUARGLEUTHRARGPROVALARGTYRVALVALVALSERHISTHRALAGLYSERHISCYSASPTHRPROALASERCYSALAGLNGLNALAGLNASNVALGLNSERTYRHISVALARGASNLEUGLYTRPCYSASPVALGLYTYRASNPHELEUILEGLYGLUASPGLYLEUVALTYRGLUGLYARGGLYTRPASNILELYSGLYALAHISALAGLYPROTHRTRPASNPROILESERILEGLYILESERPHEMETGLYASNTYRMETASNARGVALPROPROPROARGALALEUARGALAALAGLNASNLEULEUALACYSGLYVALALALEUGLYALALEUARGSERASNTYRGLUVALLYSGLYHISARGASPVALGLNPROTHRLEUSERPROGLYASPARGLEUTYRGLUILEILEGLNTHRTRPSERHISTYRARGALA
| 4.491719 | 0.149559 |
H(93)-A(94)-G(95)-P(96)-T(97)-W(98)-N(99)-H(146)-V(149)-Q(150)-P(151)-C(22)-R(23)-E(24)-H(60)-L(64)-G(65)-W(66)-C(67)-D(68)-R(85)-K(90)-G(91)-A(92)-H(93)-A(94)-G(95)-P(96)-T(97)-W(98)-N(99)-P(100)-H(146)-Q(150)
|
2v57
| 10 |
[H]c1c(N([H])[H])c([H])c2nc3c([H])c(N([H])[H])c([H])c([H])c3c([H])c2c1[H]
|
GLUARGTHRARGARGALAILELEUASPALAALAMETLEUVALLEUALAASPHISPROTHRALAALALEUGLYASPILEALAALAALAALAGLYVALGLYARGSERTHRVALHISARGTYRTYRPROGLUARGTHRASPLEULEUARGALALEUALAARGHISVALHISASPLEUSERASNALAALAILEGLUARGALAASPPROTHRSERGLYPROVALASPALAALALEUARGARGVALVALGLUSERGLNLEUASPLEUGLYPROILEVALLEUPHEVALTYRTYRGLUPROSERILELEUALAASPPROGLULEUALAALATYRPHEASPILEGLYASPGLUALAILEVALGLUVALLEUASNARGALASERTYRPROPROGLYTRPALAARGARGVALPHETRPALALEUMETGLNALAGLYTYRGLUALAALALYSASPGLYMETPROARGHISGLNILEVALASPALAILEMETTHRSERLEUTHRSERGLYILEILETHRLEUPROGLYALAARGGLUARGTHRARGARGALAILELEUASPALAALAMETLEUVALLEUALAASPHISPROTHRALAALALEUGLYASPILEALAALAALAALAGLYVALGLYARGSERTHRVALHISARGTYRTYRPROGLUARGTHRASPLEULEUARGALALEUALAARGHISVALHISASPLEUSERASNALAALAILEGLUARGALAASPPROTHRSERGLYPROVALASPALAALALEUARGARGVALVALGLUSERGLNLEUASPLEUGLYPROILEVALLEUPHEVALTYRTYRGLUPROSERILELEUALAASPPROGLULEUALAALATYRPHEASPILEGLYASPGLUALAILEVALGLUVALLEUASNARGALASERTHRGLUARGTYRPROPROGLYTRPALAARGARGVALPHETRPALALEUMETGLNALAGLYTYRGLUALAALALYSASPGLYMETPROARGHISGLNILEVALASPALAILEMETTHRSERLEUTHRSERGLYILEILETHRLEU
| 4.457739 | 0.08714 |
V(66)-H(67)-D(68)-L(69)-S(70)-N(71)-A(72)-A(73)-I(74)-E(75)-V(91)-Q(95)-L(98)-V(102)-Y(106)-Y(107)-L(112)-Y(120)-F(121)-D(122)-I(123)-G(124)-D(125)-E(126)-A(127)-I(128)-V(129)-G(145)-R(148)-R(149)-V(150)-F(151)-W(152)-A(153)-L(154)-M(155)-Q(156)-Y(159)-L(103)-A(153)-Q(156)-A(157)-E(160)
|
1mfi
| 12 |
[H]Oc1c([H])c([H])c(C([H])=C(F)C(=O)[O-])c([H])c1[H]
|
PROMETPHEILEVALASNTHRASNVALPROARGALASERVALPROGLUGLYPHELEUSERGLULEUTHRGLNGLNLEUALAGLNALATHRGLYLYSPROALAGLNTYRILEALAVALHISVALVALPROASPGLNLEUMETTHRPHESERGLYTHRASNASPPROCYSALALEUCYSSERLEUHISSERILEGLYLYSILEGLYGLYALAGLNASNARGASNTYRSERLYSLEULEUCYSGLYLEULEUSERASPARGLEUHISILESERPROASPARGVALTYRILEASNTYRTYRASPMETASNALAALAASNVALGLYTRPASNGLYSERTHRPHEALAPROMETPHEILEVALASNTHRASNVALPROARGALASERVALPROGLUGLYPHELEUSERGLULEUTHRGLNGLNLEUALAGLNALATHRGLYLYSPROALAGLNTYRILEALAVALHISVALVALPROASPGLNLEUMETTHRPHESERGLYTHRASNASPPROCYSALALEUCYSSERLEUHISSERILEGLYLYSILEGLYGLYALAGLNASNARGASNTYRSERLYSLEULEUCYSGLYLEULEUSERASPARGLEUHISILESERPROASPARGVALTYRILEASNTYRTYRASPMETASNALAALAASNVALGLYTRPASNGLYSERTHRPHEALAPROMETPHEILEVALASNTHRASNVALPROARGALASERVALPROGLUGLYPHELEUSERGLULEUTHRGLNGLNLEUALAGLNALATHRGLYLYSPROALAGLNTYRILEALAVALHISVALVALPROASPGLNLEUMETTHRPHESERGLYTHRASNASPPROCYSALALEUCYSSERLEUHISSERILEGLYLYSILEGLYGLYALAGLNASNARGASNTYRSERLYSLEULEUCYSGLYLEULEUSERASPARGLEUHISILESERPROASPARGVALTYRILEASNTYRTYRASPMETASNALAALAASNVALGLYTRPASNGLYSERTHRPHEALA
| 5.655027 | 0.02479 |
F(49)-L(58)-C(59)-S(60)-V(94)-Y(95)-I(96)-N(97)-Y(98)-Y(99)-P(1)-M(2)-F(3)-I(4)-T(30)-K(32)-P(33)-Q(35)-Y(36)-I(37)-A(38)-S(60)-L(61)-H(62)-S(63)-I(64)-G(65)-K(66)-I(67)-Y(99)-D(100)-M(101)-N(102)-A(103)-N(105)-V(106)-G(107)-W(108)-F(113)
|
3u9q
| 12 |
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O-]
|
SERALAASPLEUARGALALEUALALYSHISLEUTYRASPSERTYRILELYSSERPHEPROLEUTHRLYSALALYSALAARGALAILELEUTHRGLYLYSTHRTHRASPLYSSERPROPHEVALILETYRASPMETASNSERLEUMETMETGLYGLUASPLYSILELYSGLUVALALAILEARGILEPHEGLNGLYCYSGLNPHEARGSERVALGLUALAVALGLNGLUILETHRGLUTYRALALYSSERILEPROGLYPHEVALASNLEUASPLEUASNASPGLNVALTHRLEULEULYSTYRGLYVALHISGLUILEILETYRTHRMETLEUALASERLEUMETASNLYSASPGLYVALLEUILESERGLUGLYGLNGLYPHEMETTHRARGGLUPHELEULYSSERLEUARGLYSPROPHEGLYASPPHEMETGLUPROLYSPHEGLUPHEALAVALLYSPHEASNALALEUGLULEUASPASPSERASPLEUALAILEPHEILEALAVALILEILELEUSERGLYASPARGPROGLYLEULEUASNVALLYSPROILEGLUASPILEGLNASPASNLEULEUGLNALALEUGLULEUGLNLEULYSLEUASNHISPROGLUSERSERGLNLEUPHEALALYSLEULEUGLNLYSMETTHRASPLEUARGGLNILEVALTHRGLUHISVALGLNLEULEUGLNVALILELYSLYSTHRGLUTHRASPMETSERLEUHISPROLEULEUGLNGLUILETYRLYSASPLEU
| 4.803903 | 0.266039 |
V(277)-A(278)-I(279)-R(280)-I(281)-F(282)-Q(283)-G(284)-C(285)-Q(286)-F(287)-R(288)-S(289)-V(290)-A(292)-V(293)-V(322)-H(323)-I(326)-Y(327)-L(330)-V(339)-M(348)-F(352)-L(353)-K(354)-L(356)-R(357)-P(359)-F(360)-G(361)-D(362)-F(363)-M(364)-E(365)-K(367)-F(368)-V(446)-H(449)-V(450)-L(452)-L(453)-I(456)-M(463)-L(465)-H(466)-L(468)-L(469)-I(472)-Y(473)
|
4fcq
| 10 |
[H]C1=C(C#N)c2c(-c3c([H])c([H])c(C([H])([H])[H])c([H])c3C([H])([H])[H])nc(SC([H])([H])[H])nc2N1[H]
|
GLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALEUGLNALAGLYALAASPILESERMETILEGLYGLNPHEGLYVALGLYPHETYRSERALATYRLEUVALALAGLULYSVALTHRVALILETHRLYSHISASNASPASPGLUGLNTYRALATRPGLUSERSERALAGLYGLYSERPHETHRVALARGTHRASPTHRGLYGLUPROMETGLYARGGLYTHRLYSVALILELEUHISLEULYSGLUASPGLNTHRGLUTYRLEUGLUGLUARGARGILELYSGLUILEVALLYSLYSHISSERGLNPHEILEGLYTYRPROILETHRLEUPHEVALGLU
| 7.131715 | 0.045663 |
F(22)-I(26)-L(29)-F(44)-E(47)-L(48)-I(49)-S(50)-N(51)-S(52)-S(53)-D(54)-A(55)-L(56)-K(58)-I(59)-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)-T(109)-I(110)-A(111)-G(135)-V(136)-G(137)-F(138)-Y(139)-S(140)-A(141)-Y(142)-V(148)-T(149)-V(150)-I(151)-T(152)-K(153)-H(154)-W(162)-R(182)-G(183)-T(184)-K(185)-V(186)-I(187)-L(188)
|
4lm1
| 18 |
[H]c1nc2c([H])c([H])c([H])c([N+](=O)[O-])c2c([H])c1[H]
|
ALAGLYTHRSERILECYSTHRSERGLUGLUTRPGLNGLYLEUMETGLNPHETHRLEUPROVALARGLEUCYSLYSGLUILEGLULEUPHEHISPHEASPILEGLYPROPHEGLUASNMETTRPPROGLYILEPHEVALTYRMETVALHISARGSERCYSGLYTHRSERCYSPHEGLULEUGLULYSLEUCYSARGPHEILEMETSERVALLYSLYSASNTYRARGARGVALPROTYRHISASNTRPLYSHISALAVALTHRVALALAHISCYSMETTYRALAILELEUGLNASNASNHISTHRLEUPHETHRASPLEUGLUARGLYSGLYLEULEUILEALACYSLEUCYSHISASPLEUASPHISARGGLYPHESERASNSERTYRLEUGLNLYSPHEASPHISPROLEUALAALALEUTYRSERTHRSERTHRMETGLUGLNHISHISPHESERGLNTHRVALSERILELEUGLNLEUGLUGLYHISASNILEPHESERTHRLEUSERSERSERGLUTYRGLUGLNVALLEUGLUILEILEARGLYSALAILEILEALATHRASPLEUALALEUTYRPHEGLYASNARGLYSGLNLEUGLUGLUMETTYRGLNTHRGLYSERLEUASNLEUASNASNGLNSERHISARGASPARGVALILEGLYLEUMETMETTHRALACYSASPLEUCYSSERVALTHRLYSLEUTRPPROVALTHRLYSLEUTHRALAASNASPILETYRALAGLUPHETRPALAGLUGLYASPGLUMETLYSLYSLEUGLYILEGLNPROILEPROMETMETASPARGASPLYSLYSASPGLUVALPROGLNGLYGLNLEUGLYPHETYRASNALAVALALAILEPROCYSTYRTHRTHRLEUTHRGLNILELEUPROPROTHRGLUPROLEULEULYSALACYSARGASPASNLEUSERGLNTRPGLULYSVALILEARGGLYGLUGLUTHRALATHRTRPILESERSER
| 5.784802 | 0.09688 |
Y(524)-H(525)-H(529)-L(635)-T(671)-D(674)-L(675)-C(676)-S(677)-V(678)-T(685)-T(688)-A(689)-I(692)-Y(693)-F(696)-I(711)-M(713)-M(714)-V(722)-G(725)-Q(726)-L(727)-G(728)-F(729)-Y(730)-V(733)-A(734)-W(762)
|
5ork
| 16 |
[H]c1c([H])c([H])c(-c2c([H])c([H])c(C([H])([H])[N+]([H])([H])[H])c([H])c2Cl)c(F)c1[H]
|
PROVALPROSERARGALAARGVALTYRTHRASPVALASNTHRHISARGPROSERGLUTYRTRPASPTYRGLUSERHISVALVALGLUTRPGLYASNGLNASPASPTYRGLNLEUVALARGLYSLEUGLYARGGLYLYSTYRSERGLUVALPHEGLUALAILEASNILETHRASNASNGLULYSVALVALVALLYSILELEULYSPROVALLYSLYSLYSLYSILELYSARGGLUILELYSILELEUGLUASNLEUARGGLYGLYPROASNILEILETHRLEUALAASPILEVALLYSASPPROVALSERARGTHRPROALALEUVALPHEGLUHISVALASNASNTHRASPPHELYSGLNLEUTYRGLNTHRLEUTHRASPTYRASPILEARGPHETYRMETTYRGLUILELEULYSALALEUASPTYRCYSHISSERMETGLYILEMETHISARGASPVALLYSPROHISASNVALMETILEASPHISGLUHISARGLYSLEUARGLEUILEASPTRPGLYLEUALAGLUPHETYRHISPROGLYGLNGLUTYRASNVALARGVALALASERARGTYRPHELYSGLYPROGLULEULEUVALASPTYRGLNMETTYRASPTYRSERLEUASPMETTRPSERLEUGLYCYSMETLEUALASERMETILEPHEARGLYSGLUPROPHEPHEHISGLYHISASPASNTYRASPGLNLEUVALARGILEALALYSVALLEUGLYTHRGLUASPLEUTYRASPTYRILEASPLYSTYRASNILEGLULEUASPPROARGPHEASNASPILELEUGLYARGHISSERARGLYSARGTRPGLUARGPHEVALHISSERGLUASNGLNHISLEUVALSERPROGLUALALEUASPPHELEUASPLYSLEULEUARGTYRASPHISGLNSERARGLEUTHRALAARGGLUALAMETGLUHISPROTYRPHETYRTHRPROVALPROSERARGALAARGVALTYRTHRASPVALASNTHRHISARGPROSERGLUTYRTRPASPTYRGLUSERHISVALVALGLUTRPGLYASNGLNASPASPTYRGLNLEUVALARGLYSLEUGLYARGGLYLYSTYRSERGLUVALPHEGLUALAILEASNILETHRASNASNGLULYSVALVALVALLYSILELEULYSPROVALLYSLYSLYSLYSILELYSARGGLUILELYSILELEUGLUASNLEUARGGLYGLYPROASNILEILETHRLEUALAASPILEVALLYSASPPROVALSERARGTHRPROALALEUVALPHEGLUHISVALASNASNTHRASPPHELYSGLNLEUTYRGLNTHRLEUTHRASPTYRASPILEARGPHETYRMETTYRGLUILELEULYSALALEUASPTYRCYSHISSERMETGLYILEMETHISARGASPVALLYSPROHISASNVALMETILEASPHISGLUHISARGLYSLEUARGLEUILEASPTRPGLYLEUALAGLUPHETYRHISPROGLYGLNGLUTYRASNVALARGVALALASERARGTYRPHELYSGLYPROGLULEULEUVALASPTYRGLNMETTYRASPTYRSERLEUASPMETTRPSERLEUGLYCYSMETLEUALASERMETILEPHEARGLYSGLUPROPHEPHEHISGLYHISASPASNTYRASPGLNLEUVALARGILEALALYSVALLEUGLYTHRGLUASPLEUTYRASPTYRILEASPLYSTYRASNILEGLULEUASPPROARGPHEASNASPILELEUGLYARGHISSERARGLYSARGTRPGLUARGPHEVALHISSERGLUASNGLNHISLEUVALSERPROGLUALALEUASPPHELEUASPLYSLEULEUARGTYRASPHISGLNSERARGLEUTHRALAARGGLUALAMETGLUHISPROTYRPHETYRTHRVAL
| 6.688549 | 0.214925 |
N(118)-T(119)-D(120)-F(121)-K(122)-Q(123)-L(124)-Y(125)-L(128)-T(129)-D(130)-Y(131)-D(132)-I(133)-R(134)-F(135)-Y(136)-M(137)-Y(138)-E(139)-I(140)-V(157)-K(158)-P(159)-H(160)-N(161)-V(162)-M(163)-I(164)-D(165)-L(171)-R(172)-L(173)-I(174)-F(197)-S(217)-L(218)-C(220)-M(221)-L(222)-A(223)-S(224)-M(225)-I(226)-E(230)-Y(323)
|
1dar
| 22 |
[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-]
|
METALAVALLYSVALGLUTYRASPLEULYSARGLEUARGASNILEGLYILEALAALAHISILEASPALAGLYLYSTHRTHRTHRTHRGLUARGILELEUTYRTYRTHRGLYARGILEALAALAVALTHRTHRCYSPHETRPLYSASPHISARGILEASNILEILEASPTHRPROGLYHISVALASPPHETHRILEGLUVALGLUARGSERMETARGVALLEUASPGLYALAILEVALVALPHEASPSERSERGLNGLYVALGLUPROGLNSERGLUTHRVALTRPARGGLNALAGLULYSTYRLYSVALPROARGILEALAPHEALAASNLYSMETASPLYSTHRGLYALAASPLEUTRPLEUVALILEARGTHRMETGLNGLUARGLEUGLYALAARGPROVALVALMETGLNLEUPROILEGLYARGGLUASPTHRPHESERGLYILEILEASPVALLEUARGMETLYSALATYRTHRTYRGLYASNASPLEUGLYTHRASPILEARGGLUILEPROILEPROGLUGLUTYRLEUASPGLNALAARGGLUTYRHISGLULYSLEUVALGLUVALALAALAASPPHEASPGLUASNILEMETLEULYSTYRLEUGLUGLYGLUGLUPROTHRGLUGLUGLULEUVALALAALAILEARGLYSGLYTHRILEASPLEULYSILETHRPROVALPHELEUGLYSERALALEULYSASNLYSGLYVALGLNLEULEULEUASPALAVALVALASPTYRLEUPROSERPROLEUASPILEPROPROILELYSGLYTHRTHRPROGLUGLYGLUVALVALGLUILEHISPROASPPROASNGLYPROLEUALAALALEUALAPHELYSILEMETALAASPPROTYRVALGLYARGLEUTHRPHEILEARGVALTYRSERGLYTHRLEUTHRSERGLYSERTYRVALTYRASNTHRTHRLYSGLYARGLYSGLUARGVALALAARGLEULEUARGMETHISALAASNHISARGGLUGLUVALGLUGLULEULYSALAGLYASPLEUGLYALAVALVALGLYLEULYSGLUTHRILETHRGLYASPTHRLEUVALGLYGLUASPALAPROARGVALILELEUGLUSERGLUGLUASPPROTHRPHEARGVALSERTHRHISGLNTHRILEILESERGLYMETGLYGLULEULEULYSARGGLUPHELYSVALASPALAASNVALGLYLYSPROGLNVALALATYRARGGLUTHRILETHRLYSPROVALASPVALGLUGLYLYSPHEILEARGGLNTHRGLYGLYARGGLYGLNTYRGLYHISVALLYSILELYSVALGLUPROLEUPROARGGLYSERGLYPHEGLUPHEVALASNALAILEVALGLYGLYVALILEPROLYSGLUTYRILEPROALAVALGLNLYSGLYILEGLUGLUALAMETGLNSERGLYPROLEUILEGLYPHEPROVALVALASPILELYSVALTHRLEUTYRASPGLYSERTYRHISGLUVALASPSERSERGLUMETALAPHELYSILEALAGLYSERMETALAILELYSGLUALAVALGLNLYSGLYASPPROVALILELEUGLUPROILEMETARGVALGLUVALTHRTHRPROGLUGLUTYRMETGLYASPVALILEGLYASPLEUASNALAARGARGGLYGLNILELEUGLYMETGLUPROARGGLYASNALAGLNVALILEARGALAPHEVALPROLEUALAGLUMETPHEGLYTYRALATHRASPLEUARGSERLYSTHRGLNGLYARGGLYSERPHEVALMETPHEPHEASPHISTYRGLNGLUVALPROLYSGLNVALGLNGLULYSLEUILELYS
| 5.257382 | 0.029782 |
I(17)-A(18)-A(19)-H(20)-I(21)-D(22)-A(23)-G(24)-K(25)-T(26)-T(27)-T(28)-T(29)-E(30)-R(31)-G(86)-V(107)-F(108)-D(109)-S(110)-S(111)-Q(117)-F(135)-A(136)-N(137)-K(138)-M(139)-D(140)-K(141)-T(142)-A(144)-F(174)-G(261)-S(262)-A(263)-L(264)-K(265)-N(266)-K(267)-V(269)
|
1flr
| 10 |
[H]Oc1c([H])c([H])c2c(c1[H])OC1=C([H])C(=O)C([H])=C([H])C1=C2c1c([H])c([H])c([H])c([H])c1C(=O)[O-]
|
ASPVALVALMETTHRGLNTHRPROLEUSERLEUPROVALSERLEUGLYASPGLNALASERILESERCYSARGSERSERGLNSERLEUVALHISSERASNGLYASNTHRTYRLEUARGTRPTYRLEUGLNLYSPROGLYGLNSERPROLYSVALLEUILETYRLYSVALSERASNARGPHESERGLYVALPROASPARGPHESERGLYSERGLYSERGLYTHRASPPHETHRLEULYSILESERARGVALGLUALAGLUASPLEUGLYVALTYRPHECYSSERGLNSERTHRHISVALPROTRPTHRPHEGLYGLYGLYTHRLYSLEUGLUILELYSARGALAASPALAALAPROTHRVALSERILEPHEPROPROSERSERGLUGLNLEUTHRSERGLYGLYALASERVALVALCYSPHELEUASNASNPHETYRPROLYSASPILEASNVALLYSTRPLYSILEASPGLYSERGLUARGGLNASNGLYVALLEUASNSERTRPTHRASPGLNASPSERLYSASPSERTHRTYRSERMETSERSERTHRLEUTHRLEUTHRLYSASPGLUTYRGLUARGHISASNSERTYRTHRCYSGLUALATHRHISLYSTHRSERTHRSERPROILEVALLYSSERPHEASNARGASNGLUCYSGLUVALLYSLEUASPGLUTHRGLYGLYGLYLEUVALGLNPROGLYARGPROMETLYSLEUSERCYSVALALASERGLYPHETHRPHESERASPTYRTRPMETASNTRPVALARGGLNSERPROGLULYSGLYLEUGLUTRPVALALAGLNILEARGASNLYSPROTYRASNTYRGLUTHRTYRTYRSERASPSERVALLYSGLYARGPHETHRILESERARGASPASPSERSERVALTYRLEUGLNMETASNASNLEUARGVALGLUASPMETGLYILETYRTYRCYSTHRGLYSERTYRTYRGLYMETASPTYRTRPGLYGLNGLYTHRSERVALTHRVALSERSERALALYSTHRTHRALAPROSERVALTYRPROLEUALAPROVALCYSGLYASPTHRTHRGLYSERSERVALTHRLEUGLYCYSLEUVALLYSGLYTYRPHEPROGLUPROVALTHRLEUTHRTRPASNSERGLYSERLEUSERSERGLYVALHISTHRPHEPROALAVALLEUGLNSERASPLEUTYRTHRLEUSERSERSERVALTHRVALTHRSERSERTHRTRPPROSERGLNSERILETHRCYSASNVALALAHISPROALASERSERTHRLYSVALASPLYSLYSILEGLUPROARG
| 6.491097 | 0.079472 |
S(30)-D(31)-Y(32)-W(33)-N(35)-Q(50)-R(52)-N(53)-P(55)-Y(56)-R(74)-T(99)-G(100)-S(101)-Y(102)-Y(103)-G(104)-M(105)-D(106)-H(31)-S(32)-N(33)-N(35)-T(36)-Y(37)-L(38)-R(39)-Y(41)-Y(54)-K(55)-S(94)-Q(95)-S(96)-T(97)-H(98)-V(99)-W(101)
|
4ea2
| 10 |
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[C@]1([H])[C@@]2([H])C([H])([H])[C@]3([H])C([H])([H])[C@]([H])(C2([H])[H])C([H])([H])[C@@]1([H])C3([H])[H])C([H])([H])[H]
|
METTHRMETMETASPMETASNPHELYSTYRCYSHISLYSILEMETLYSLYSHISSERLYSSERPHESERTYRALAPHEASPLEULEUPROGLUASPGLNARGLYSALAVALTRPALAILETYRALAVALCYSARGLYSILEASPASPSERILEASPASPILEGLNPHELEUASNGLNILELYSGLUASPILEGLNSERILEGLULYSTYRPROTYRGLUTYRHISHISPHEGLNSERASPARGARGILEMETMETALALEUGLNHISVALALAGLNHISLYSASNILEALAPHEGLNSERPHETYRASNLEUILEASPTHRVALTYRLYSASPGLNHISPHETHRMETPHEGLUTHRASPALAGLULEUPHEGLYTYRCYSTYRGLYVALALAGLYTHRVALGLYGLUVALLEUTHRPROILELEUSERASPHISGLUTHRHISGLNTHRTYRASPVALALAARGARGLEUGLYGLUSERLEUGLNLEUILEASNILELEUARGASPVALGLYGLUASPPHEGLUASNGLUARGILETYRPHESERLYSGLNARGLEULYSGLNTYRGLUVALASPILEALAGLUVALTYRGLNASNGLYVALASNASNHISTYRILEASPLEUTRPGLUTYRTYRALAALAILEALAGLULYSASPPHEARGASPVALMETASPGLNILELYSVALPHESERILEGLUALAGLNPROILEILEGLULEUALAALAARGILETYRILEGLUILELEUASPGLUVALARGGLNALAASNTYRTHRLEUHISGLUARGVALPHEVALGLULYSARGLYSLYSALALYSLEUPHEHISGLUILEASNSERLYSTYR
| 6.527733 | 0.00266 |
I(14)-M(15)-H(18)-S(19)-S(21)-F(22)-A(25)-F(26)-V(37)-I(40)-Y(41)-A(42)-V(43)-C(44)-R(45)-K(46)-I(47)-D(48)-D(49)-F(104)-L(107)-T(110)-V(111)-Y(129)-C(130)-Y(131)-G(132)-V(133)-A(134)-G(135)-T(136)-V(137)-G(138)-E(139)-V(140)-L(141)-T(142)-L(145)-V(156)-A(157)-R(158)-R(159)-L(160)-G(161)-E(162)-S(163)-L(164)-Q(165)-L(166)-I(167)-N(168)-I(169)-R(171)-D(172)-V(226)-F(233)-I(241)-A(244)-A(245)-Y(248)-I(251)
|
5ufr
| 12 |
[H]O[C@](C1=C([H])N=C([H])N1C([H])([H])[H])(c1c([H])c([H])nc([H])c1[H])c1c([H])c([H])c2nc(N(C([H])([H])[H])C([H])([H])[H])c(-c3c([H])c([H])c([H])c([H])c3[H])c(Cl)c2c1[H]
|
ALASERLEUTHRGLUILEGLUHISLEUVALGLNSERVALCYSLYSSERTYRARGGLUTHRCYSGLNLEUARGLEUGLUASPLEULEUARGGLNARGSERASNILEPHESERARGGLUGLUVALTHRGLYTYRGLNARGLYSSERMETTRPGLUMETTRPGLUARGCYSALAHISHISLEUTHRGLUALAILEGLNTYRVALVALGLUPHEALALYSARGLEUSERGLYPHEMETGLULEUCYSGLNASNASPGLNILEVALLEULEULYSALAGLYALAMETGLUVALVALLEUVALARGMETCYSARGALATYRASNALAASPASNARGTHRVALPHEPHEGLUGLYLYSTYRGLYGLYMETGLULEUPHEARGALALEUGLYCYSSERGLULEUILESERSERILEPHEASPPHESERHISSERLEUSERALALEUHISPHESERGLUASPGLUILEALALEUTYRTHRALALEUVALLEUILEASNALAHISARGPROGLYLEUGLNGLULYSARGLYSVALGLUGLNLEUGLNTYRASNLEUGLULEUALAPHEHISHISHISLEUCYSLYSTHRHISARGGLNSERILELEUALALYSLEUPROPROLYSGLYLYSLEUARGSERLEUCYSSERGLNHISVALGLUARGLEUGLNILEPHEGLN
| 7.908004 | 0.149622 |
Y(281)-T(284)-C(285)-Q(286)-L(287)-R(288)-L(292)-Y(308)-M(316)-W(317)-R(319)-C(320)-A(321)-H(322)-H(323)-L(324)-T(325)-E(326)-A(327)-I(328)-Y(330)-V(331)-M(358)-V(360)-V(361)-L(362)-V(363)-R(364)-M(365)-C(366)-R(367)-A(368)-Y(369)-T(375)-V(376)-F(377)-F(378)-E(379)-G(380)-K(381)-G(383)-G(384)-M(385)-L(387)-F(388)-L(391)-C(393)-L(396)-I(397)-S(398)-S(399)-I(400)-F(401)-D(402)-S(404)-S(477)-H(479)-V(480)-L(483)
|
4mq6
| 15 |
[H]C1=C(C(=O)N([H])S(=O)(=O)c2c([H])c([H])c(C([H])([H])[H])c([H])c2[H])N(C([H])([H])C(=O)[O-])c2c([H])c([H])c(OC([H])([H])[H])c([H])c21
|
ILEPROALAPHEHISPROGLYGLULEUASNVALTYRSERALAPROGLYASPVALALAASPVALSERARGALALEUARGLEUTHRGLYARGARGVALMETLEUVALPROTHRMETGLYALALEUHISGLUGLYHISLEUALALEUVALARGALAALALYSARGVALPROGLYSERVALVALVALVALSERILEPHEVALASNPROMETGLNPHEGLYALAGLYGLYASPLEUASPALATYRPROARGTHRPROASPASPASPLEUALAGLNLEUARGALAGLUGLYVALGLUILEALAPHETHRPROTHRTHRALAALAMETTYRPROASPGLYLEUARGTHRTHRVALGLNPROGLYPROLEUALAALAGLULEUGLUGLYGLYPROARGPROTHRHISPHEALAGLYVALLEUTHRVALVALLEULYSLEULEUGLNILEVALARGPROASPARGVALPHEPHEGLYGLULYSASPTYRGLNGLNLEUVALLEUILEARGGLNLEUVALALAASPPHEASNLEUASPVALALAVALVALGLYVALPROTHRVALARGGLUALAASPGLYLEUALAMETSERSERARGASNARGTYRLEUASPPROALAGLNARGALAALAALAVALALALEUSERALAALALEUTHRALAALAALAHISALAALATHRALAGLYALAGLNALAALALEUASPALAALAARGALAVALLEUASPALAALAPROGLYVALALAVALASPTYRLEUGLULEUARGASPILEGLYLEUGLYPROMETPROLEUASNGLYSERGLYARGLEULEUVALALAALAARGLEUGLYTHRTHRARGLEULEUASPASNILEALAILEGLUILEGLYTHRPHEALAMETALAILEPROALAPHEHISPROGLYGLULEUASNVALTYRSERALAPROGLYASPVALALAASPVALSERARGALALEUARGLEUTHRGLYARGARGVALMETLEUVALPROTHRMETGLYALALEUHISGLUGLYHISLEUALALEUVALARGALAALALYSARGVALPROGLYSERVALVALVALVALSERILEPHEVALASNPROPROASPASPASPLEUALAGLNLEUARGALAGLUGLYVALGLUILEALAPHETHRPROTHRTHRALAALAMETTYRPROASPGLYLEUARGTHRTHRVALGLNPROGLYPROLEUALAALAGLULEUGLUGLYGLYPROARGPROTHRHISPHEALAGLYVALLEUTHRVALVALLEULYSLEULEUGLNILEVALARGPROASPARGVALPHEPHEGLYGLULYSASPTYRGLNGLNLEUVALLEUILEARGGLNLEUVALALAASPPHEASNLEUASPVALALAVALVALGLYVALPROTHRVALARGGLUALAASPGLYLEUALAMETSERSERARGASNARGTYRLEUASPPROALAGLNARGALAALAALAVALALALEUSERALAALALEUTHRALAALAALAHISALAALATHRALAGLYALAGLNALAALALEUASPALAALAARGALAVALLEUASPALAALAPROGLYVALALAVALASPTYRLEUGLULEUARGASPILEGLYLEUGLYPROMETPROLEUASNGLYSERGLYARGLEULEUVALALAALAARGLEUGLYTHRTHRARGLEULEUASPASNILEALAILEGLUILEGLY
| 7.156886 | 0.353368 |
V(37)-P(38)-T(39)-M(40)-G(41)-A(42)-L(43)-H(44)-E(45)-G(46)-H(47)-L(48)-A(49)-L(50)-V(51)-A(53)-S(65)-I(66)-F(67)-N(69)-Q(72)-Y(82)-P(83)-H(135)-V(139)-L(140)-V(142)-V(143)-L(146)-V(155)-F(156)-F(157)-G(158)-E(159)-K(160)-D(161)-Q(164)-L(165)-I(168)-G(183)-V(184)-P(185)-T(186)-V(187)-R(188)-L(193)-A(194)-M(195)-S(196)-S(197)-R(198)-N(199)-R(200)-R(278)-L(279)-L(280)
|
4zzy
| 10 |
[H]c1c(F)c([H])c2c(c1C(=O)N([H])[H])C(=O)N([C@]1([H])C([H])([H])C([H])([H])[N@@+]([H])(C3([H])C([H])([H])C([H])([H])C(F)(F)C([H])([H])C3([H])[H])C([H])([H])C1([H])[H])C2([H])[H]
|
GLUSERGLNLEUASPLEUARGVALGLNGLULEUILELYSLEUILECYSASNVALGLNALAMETGLUGLUMETMETMETGLUMETLYSTYRASNTHRLYSLYSALAPROLEUGLYLYSLEUTHRVALALAGLNILELYSALAGLYTYRGLNSERLEULYSLYSILEGLUASPCYSILEARGALAGLYGLNHISGLYARGALALEUMETGLUALACYSASNGLUPHETYRTHRARGILEPROHISASPPHEGLYLEUARGTHRPROPROLEUILEARGTHRGLNLYSGLULEUSERGLULYSILEGLNLEULEUGLUALALEUGLYASPILEGLUILEALAILELYSLEUVALLYSTHRGLULEUGLNSERPROGLUHISPROLEUASPGLNHISTYRARGASNLEUHISCYSALALEUARGPROLEUASPHISGLUSERTYRGLUPHELYSVALILESERGLNTYRLEUGLNSERTHRHISALAPROTHRHISSERASPTYRTHRMETTHRLEULEUASPLEUPHEGLUVALGLULYSASPGLYGLULYSGLUALAPHEARGGLUASPLEUHISASNARGMETLEULEUTRPHISGLYSERARGMETSERASNTRPVALGLYILELEUSERHISGLYLEUARGILEALAPROPROGLUALAPROILETHRGLYTYRMETPHEGLYLYSGLYILETYRPHEALAASPMETSERSERLYSSERALAASNTYRCYSPHEALASERARGLEULYSASNTHRGLYLEULEULEULEUSERGLUVALALALEUGLYGLNCYSASNGLULEULEUGLUALAASNPROLYSALAGLUGLYLEULEUGLNGLYLYSHISSERTHRLYSGLYLEUGLYLYSMETALAPROSERSERALAHISPHEVALTHRLEUASNGLYSERTHRVALPROLEUGLYPROALASERASPTHRGLYILELEUASNGLYTYRTHRLEUASNTYRASNGLUTYRILEVALTYRASNPROASNGLNVALARGMETARGTYRLEULEULYSVALGLNPHEASNPHELEUGLNLEUTRP
| 7.079035 | 0.101422 |
Y(279)-L(282)-E(286)-Q(324)-K(325)-E(326)-L(327)-S(328)-E(329)-K(330)-I(331)-Q(332)-L(333)-E(335)-L(426)-W(427)-H(428)-G(429)-S(430)-R(431)-N(434)-W(435)-L(443)-A(446)-A(450)-P(451)-I(452)-T(453)-G(454)-Y(455)-M(456)-F(457)-G(458)-K(459)-G(460)-I(461)-Y(462)-F(463)-A(464)-D(465)-M(466)-S(467)-S(468)-K(469)-S(470)-A(471)-N(472)-Y(473)-C(474)-F(475)-L(485)-L(486)-G(517)-L(554)-Y(556)-N(557)-E(558)-Y(559)-I(560)
|
2xdk
| 15 |
[H]c1nc(N([H])[H])nc(-c2c([H])nc([H])c([H])c2[H])c1[H]
|
PROMETGLUGLUGLUGLUVALGLUTHRPHEALAPHEGLNALAGLUILEALAGLNLEUMETSERLEUILEILEASNTHRPHETYRSERASNLYSGLUILEPHELEUARGGLULEUILESERASNSERSERASPALALEUASPLYSILEARGTYRGLUSERLEUTHRASPPROSERLYSLEUASPSERGLYLYSGLULEUHISILEASNLEUILEPROASNLYSGLNASPARGTHRLEUTHRILEVALASPTHRGLYILEGLYMETTHRLYSALAASPLEUILEASNASNLEUGLYTHRILEALALYSSERGLYTHRLYSALAPHEMETGLUALALEUGLNALAGLYALAASPILESERMETILEGLYGLNPHEGLYVALGLYPHETYRSERALATYRLEUVALALAGLULYSVALTHRVALILETHRLYSHISASNASPASPGLUGLNTYRALATRPGLUSERSERALAGLYGLYSERPHETHRVALARGTHRASPTHRGLYGLUPROMETGLYARGGLYTHRLYSVALILELEUHISLEULYSGLUASPGLNTHRGLUTYRLEUGLUGLUARGARGILELYSGLUILEVALLYSLYSHISSERGLNPHEILEGLYTYRPROILETHRLEUPHEVALGLULYSGLU
| 6.98496 | 0.019134 |
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)
|
1sln
| 11 |
[H]c1c([H])c([H])c(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])[N+]([H])([H])[C@@]([H])(C(=O)[O-])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])c([H])c1[H]
|
PHEARGTHRPHEPROGLYILEPROLYSTRPARGLYSTHRHISLEUTHRTYRARGILEVALASNTYRTHRPROASPLEUPROLYSASPALAVALASPSERALAVALGLULYSALALEULYSVALTRPGLUGLUVALTHRPROLEUTHRPHESERARGLEUTYRGLUGLYGLUALAASPILEMETILESERPHEALAVALARGGLUHISGLYASPPHETYRPROPHEASPGLYPROGLYASNVALLEUALAHISALATYRALAPROGLYPROGLYILEASNGLYASPALAHISPHEASPASPASPGLUGLNTRPTHRLYSASPTHRTHRGLYTHRASNLEUPHELEUVALALAALAHISGLUILEGLYHISSERLEUGLYLEUPHEHISSERALAASNTHRGLUALALEUMETTYRPROLEUTYRHISSERLEUTHRASPLEUTHRARGPHEARGLEUSERGLNASPASPILEASNGLYILEGLNSERLEUTYRGLYPROPROPRO
| 5.221681 | 0.140633 |
F(86)-F(157)-D(158)-P(160)-G(161)-N(162)-V(163)-L(164)-A(165)-H(166)-A(167)-H(179)-F(180)-D(181)-E(184)-W(186)-G(192)-T(193)-N(194)-L(195)-F(196)-L(197)-V(198)-A(199)-A(200)-H(201)-E(202)-I(203)-H(205)-L(209)-F(210)-H(211)-T(215)-A(217)-L(218)-M(219)-Y(220)-P(221)-L(222)-Y(223)-H(224)-S(225)-L(226)-F(232)
|
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