[Wed Aug 24 17:44:12 2016] >Input file: TM4U1XATD.pdb >TM segments: C523-543_C595-616_C792-812_B792-813_D524-543_D594-616_D792-812 MAIDEN score = -98.8952 Below is the ranking list of the residue pairs and their related pseudo-energy (the lower, the better). This includes inter-chain residue pairs. The maximum (least favorable) pairwise energy value has been set to 10. See the MAIDEN software article: Postic,G., Ghouzam,Y. and Gelly,J.C. (2015) Biochimie, 115, 155–161. ----------- ---------------- Calpha pair Empirical energy ----------- ---------------- F608C-V795D 0.747048097420512 I612C-V792D 0.730548691859539 V604C-L799D 0.716610528643167 F608C-L799D 0.690567024520266 I600C-G802D 0.684016096559354 S614C-I613D 0.652444809523131 L540C-A598C 0.628283712965284 V543C-A806D 0.624166720588122 V536C-W605C 0.608360244258231 V543D-A598D 0.603878893391745 V539C-L803D 0.584547560458478 I525C-V792D 0.575012327833046 W605C-L799D 0.556834721568923 A528C-F796D 0.527907017999883 V543C-A598C 0.51257501753788 V536C-L803D 0.497612698183433 A532C-F796D 0.493548849909421 V601C-L803D 0.484108836429545 V536D-W605D 0.483621411743483 F608C-F796D 0.470698664755458 S597C-M807D 0.413822577209284 R599C-V604C 0.399852381645766 L596C-V809D 0.399760557213122 S597C-L805D 0.395940839675467 V539C-A806D 0.395168517447958 A532C-V800D 0.390846353257302 L542C-M807D 0.384913107900974 V604C-L803D 0.380721188418846 F608C-I798D 0.377406209797236 R599D-V604D 0.363521900286614 S614C-Y616D 0.329084131152078 A528C-G794D 0.323479711625735 Y616C-V795D 0.32083375507044 S537D-A602D 0.320274563484975 M527C-V800D 0.316565078509809 G794D-G802D 0.315066165072652 I529C-F796D 0.313560843846703 A532C-L799D 0.309990280146913 I611C-V795D 0.300441323675247 V536C-V601C 0.299212391818298 L540D-A598D 0.292661024758845 L596C-A806D 0.286436466430496 I600C-W605C 0.281563064331355 L542C-A810D 0.279841823171445 V539D-V601D 0.278033567726446 L540C-V601C 0.264996884765686 F608C-G801D 0.253599958859664 R599C-A810D 0.252940948457982 L540C-G804D 0.252939804852859 L610C-T609D 0.239965812506062 A532C-G801D 0.23880205257813 I534C-V800D 0.229254616652732 S537D-S597D 0.22789978242259 L535C-G801D 0.217194140646351 S595C-A602C 0.216466855472742 V536C-G603C 0.215485902283916 I612C-V795D 0.215270954852135 V601C-I798D 0.214568326572135 V604C-M807D 0.214305488807439 G603C-G801D 0.21039864907158 F607C-Y533D 0.210185751457109 W606C-G802D 0.208915947251816 R599C-M807D 0.208705264901507 V543C-S597C 0.20814596473299 F541C-A806D 0.207912333234944 V604C-I798D 0.207015178238877 I534D-T609D 0.205675873493677 F541C-V601C 0.201752213888402 V536C-F796D 0.19964118788847 I534C-T609C 0.193045946084311 V539C-M807D 0.192324307150562 V539C-V601C 0.192317177125963 I525C-A793D 0.187425254686984 Y533C-Y797D 0.186194564783113 W606C-T609D 0.18306801781258 L535C-L803D 0.179996697215119 W605C-G802D 0.178732425537729 Y533C-G603C 0.178444809969896 V543D-R599D 0.178113247523755 Y533D-F607D 0.177996163421374 E524D-A532D 0.177688945159164 A532C-G802D 0.174220632608959 T609C-T609D 0.171005849612114 R594D-A602D 0.169720820574546 Y523C-Y616C 0.169080788265534 S595C-A806D 0.167573420747571 A528C-G801D 0.166917959215867 Y533C-G801D 0.165683178570097 V538D-A598D 0.165629758603986 W526D-T609D 0.165521846712685 W526D-Y616D 0.165046257652863 I525C-I611C 0.162642432596284 V536C-S597C 0.161269221573005 V543C-M807D 0.159417536516463 S537C-A806D 0.159248469331969 W605C-V800D 0.15924035218039 G794B-G801B 0.159151170319113 V538C-A602C 0.155422478475891 Y616C-S614D 0.154830127133419 V530C-F796D 0.153911410513861 V604C-V800D 0.153661222358313 L596C-A810D 0.153275540884861 W526C-T609C 0.152639070256923 I525D-I612D 0.152143828456573 S615C-F796D 0.151870244322635 Y533C-W606C 0.151637968410218 I600C-A806D 0.150350550756565 A598C-I812D 0.150144660022566 V536C-Y797D 0.14940926782149 T609C-G794D 0.14894393524354 A532C-I798D 0.148708148675967 W526C-Y533C 0.148703679616927 Y533C-V795D 0.148225052526312 I600C-V809D 0.14762965984775 E524D-I612D 0.146895843490047 A598C-A806D 0.146824163076235 W605C-G801D 0.146595504841721 V536C-F608C 0.146416865180633 M527C-A793D 0.145923605077547 W526D-Y533D 0.143166753575608 I600C-Y533D 0.142104654868154 W606C-S614C 0.140880404543592 M527C-Y797D 0.140724499129177 I529C-L803D 0.138799787903785 A528C-Y797D 0.137386139023315 Y523C-I612C 0.137301807405501 V538C-V604C 0.136038845201308 I611C-I798D 0.135114085301225 V530C-V792D 0.134675476599835 V543C-V604C 0.134543463776783 V538C-V809D 0.132785958358085 I525C-G794D 0.132466756712629 V601C-W606C 0.131046425821136 I529D-I613D 0.13028901433952 L542C-I600C 0.129443019400666 V543D-L596D 0.128985656571798 M527D-Y616D 0.125179430089612 V530C-A793D 0.125115904497971 E524D-Y616D 0.125065734637785 A528C-S615C 0.124891682016846 A602C-V800D 0.124590308390018 V800B-V809B 0.124103069630518 R599D-W606D 0.124018116233634 I529C-I613C 0.123545771930737 Y533C-L610C 0.123276280720169 L542C-L596C 0.122707583227955 W606D-S614D 0.122132326823564 V538C-S597C 0.120687594348567 L535C-L805D 0.120481477683806 A528C-I798D 0.119210519723719 S614C-A793D 0.119102914506269 S597C-W605C 0.118190992170521 W526D-I613D 0.117997739427097 V536C-V604C 0.117351806757437 G794B-G802B 0.116605977010952 L540C-G802D 0.116527773452179 Y533C-A602C 0.116453764523139 A602C-G801D 0.11597753701368 V604C-Y533D 0.115207797624316 L540C-S595C 0.114699581106337 L610C-V792D 0.11458648226925 Y533D-L610D 0.114081095175506 L596C-G802D 0.113641724202092 A532C-L805D 0.113515121774637 A528C-L799D 0.113389711625429 V543C-G802D 0.113361673738448 L610C-L799D 0.112911683604728 V538C-G802D 0.112893111304021 I529C-V792D 0.112860046609421 V538C-A810D 0.112550324169679 G804B-V809B 0.112200986170193 V536C-T609C 0.11194842135204 F541D-S597D 0.110753584461481 V543C-G804D 0.110538675637597 Y533C-I798D 0.110392035076909 S614C-I612D 0.109277526997734 G603C-V530D 0.109224664708754 V536D-T609D 0.109094380461464 G804B-L811B 0.10886349130012 L535C-A806D 0.108377451263007 V536D-S597D 0.107910678755543 F607C-Y616D 0.107673684089956 L542C-G804D 0.107526942050308 L535D-V601D 0.106950096832643 V604C-G794D 0.106817768895307 R599C-W606C 0.106258877634851 G804B-I812B 0.106235740342815 A532D-G603D 0.105892411718111 V530C-V800D 0.105779825588012 V539D-V604D 0.105145040129871 F608C-A806D 0.105116040162895 L535D-V604D 0.104214684507389 L535C-A793D 0.103353469080641 G794C-G802C 0.102916542294236 F607C-A806D 0.10286585752916 L540C-V800D 0.102856111440155 Y616C-I613D 0.102372863113675 A528C-L803D 0.101970398494199 R594D-G603D 0.101536780781947 A532D-A602D 0.100669411006816 A528D-S615D 0.100636237825867 A598C-V800D 0.0992861262183862 A793B-G801B 0.0989349567277242 S595C-S537D 0.0988866060271389 G603C-I534D 0.0988462457560026 S597D-W605D 0.0986146604316527 A532C-A602C 0.0983919709627066 E524C-F796D 0.0982764704357333 L535C-A602C 0.0974622317735532 W526C-F531C 0.0969913611226731 M807B-E813B 0.0966452766523231 I613C-L610D 0.0965766767429521 V604C-G804D 0.0965756212031224 L535C-L808D 0.0958385050458612 V539C-G603C 0.0948112040525027 L542C-V809D 0.0946218738328461 V539C-I600C 0.0945004663237849 I798C-L808C 0.0933015387973256 V543C-I600C 0.0930259991250981 L540C-L799D 0.0925104451259828 S595C-L811D 0.0919518029810735 A528C-V800D 0.0912175729926824 L540C-L811D 0.090723691983317 L540D-V604D 0.0905704543854822 G603C-V795D 0.0903384625613484 L535C-M807D 0.09030648466868 I525C-T609C 0.0896009356422755 S614C-V795D 0.0880465250074312 V543D-A602D 0.087836445586408 F531C-T609C 0.0878046793915632 I600C-L610C 0.0865613836714986 I525C-L535C 0.0863396912663951 L610C-S614D 0.0855961824449274 S614C-T609D 0.0835676561791525 T609C-G802D 0.0832772266728234 Y533C-W605C 0.0824344692395114 F541C-L805D 0.0822680371368352 L799B-L808B 0.0814283353816667 F531D-T609D 0.0813867703810613 I611C-T609D 0.0813765582298691 A528D-I612D 0.0809227590921613 A602C-F796D 0.0808673942697631 S615C-V792D 0.0801853495981808 V604C-A793D 0.0798075692089988 I611C-S614D 0.0797950755546957 A602C-I798D 0.0796836737979199 Y533C-V604C 0.0796040250667243 I613C-V795D 0.0794209170989575 Y533C-V792D 0.0788074335442737 S537C-T609C 0.078007627874551 L610C-I611D 0.0776332959558736 S537C-V604C 0.0774998302971621 G801B-L808B 0.077292742943964 V601D-W606D 0.0750988667467363 A598C-W606C 0.0750209881102424 W606C-W606D 0.0748838726243264 L596C-I534D 0.0745626443122589 W526D-I534D 0.0743538408122081 V539C-L596C 0.0738998907653143 S537C-V800D 0.0738444936620182 V536D-F608D 0.0738411044256084 V536C-G801D 0.0737048234588435 A532C-I613C 0.0736431885255801 V530D-T609D 0.0730183249442307 L542C-V601C 0.0718684457025773 V601C-V795D 0.0712219238182312 L540D-L596D 0.0711275829958353 T609C-I613D 0.0707343780228014 S537C-A598C 0.0705053068998911 E524D-S615D 0.0703789982208036 V536C-R599C 0.0703544329486347 V601C-Y797D 0.0701505413618158 W526D-S615D 0.0696896687623706 I525C-L610C 0.069040424269581 A532C-G603C 0.0689031573027514 S595C-I600C 0.0681094778979219 Y533C-V601C 0.0672864380098068 A602C-G804D 0.0669596454111128 L596C-G804D 0.0667420499269831 Y533C-G802D 0.0665386866342415 R599C-L808D 0.0657757281715354 S537C-I600C 0.0645529146930342 I534C-W605C 0.0644968885782795 W605C-V792D 0.064462708950221 V543C-L805D 0.063734477647718 E524C-G794D 0.0626506102394297 L542D-L596D 0.0619390011329539 V538C-A806D 0.0606568391920326 G603C-A806D 0.0603308218900009 I529C-S615C 0.0600229479936034 L535D-A602D 0.0592700293336494 L542C-L805D 0.059195998450424 I525C-L799D 0.0585344225655677 I611C-A793D 0.0583633901968155 S615C-S614D 0.0581991233252643 I529C-A793D 0.0577917180756575 G794B-L799B 0.0576186013876931 V538C-L799D 0.057037486677042 F607C-G794D 0.0563655794587747 I611C-I529D 0.0561820490376395 R599C-L805D 0.0560159221876502 S615C-G794D 0.0559135679270684 W605D-I613D 0.0555657038863946 A793B-G802B 0.0555423315673955 F607C-I612D 0.0550218660211153 F607C-I529D 0.0545999428378897 R594D-V601D 0.0545897437501235 I600C-L803D 0.0545367181600431 S537C-G802D 0.0545038851770425 L542D-S597D 0.0539433946911037 V539C-R599C 0.0536527900918752 L535C-I798D 0.0535407109860206 I529C-G794D 0.0530342795973469 I798C-M807C 0.0527326780984509 I529C-F608C 0.05266120984488 I534C-F608C 0.0521545252872606 V604C-G801D 0.0514930351190479 S597C-G801D 0.0510938706366717 Y533C-F607C 0.0503601270058827 W605C-I613C 0.0496158176519987 I600C-V800D 0.0494304083127206 I529C-V800D 0.0490788343274229 A793D-L803D 0.0482196009017493 L535C-A810D 0.0482196009017493 L596C-L811D 0.0481306806517345 I600C-S537D 0.0479189686789461 A598C-L799D 0.0474062615617798 S614C-L610D 0.047024792414379 M527D-I613D 0.0469877661490106 F531C-V800D 0.0467134711522679 F608C-L805D 0.0461280744077461 I525D-L535D 0.0457942654077845 A532C-G794D 0.0455469022265111 I612C-F796D 0.0454169690862785 L535C-A598C 0.0447159560825088 M527C-G794D 0.0444173145346021 R599C-L799D 0.0442757767268498 F607C-I798D 0.0437886650042167 L610C-S615D 0.0437542255000043 F541C-W605C 0.0433954446716736 A528D-V536D 0.0432275164998579 F531C-V795D 0.0426426313881312 I525C-S615C 0.0425100454535396 F531C-V792D 0.0422093057431385 I525D-F531D 0.0421083597839165 I529C-F607C 0.0420228334204715 A532D-L610D 0.041875544630908 S614C-I611D 0.0415732860508662 G603C-S537D 0.0414701091418118 G801B-V809B 0.0413970987141719 W526C-S614C 0.0412039890400884 S537C-G804D 0.040999545488962 V601C-F796D 0.0409588846721024 F541D-A602D 0.0406405839423805 I534D-V604D 0.0404964519663196 I534D-W605D 0.0400460878518354 V539D-R599D 0.0395362417686762 M527C-L799D 0.0394613180348178 I525C-F531C 0.0385057148846304 L540D-S595D 0.0381924550638182 I600C-L805D 0.0381363119064329 Y533D-I613D 0.0380952262208059 S537D-T609D 0.0378335812128703 V530C-T609C 0.0378013375788724 V536C-G802D 0.0375610796544992 A532C-V604C 0.0373003991234002 V604C-Y797D 0.0367233623222383 S537C-L799D 0.0361617751055823 S595D-G603D 0.0360764696011948 V601C-A806D 0.036011078492721 A532D-V601D 0.0358175032171006 R599C-G804D 0.0356354505766996 F607C-T609D 0.0355911244501081 W606C-I798D 0.0342473294098009 G603C-Y797D 0.0334075306342196 G603C-L805D 0.0329194868405813 S595C-G603C 0.0323763292315849 G801B-A810B 0.0319629663882681 A598D-W606D 0.0319448964114857 V536D-R599D 0.0315229940775252 T609C-V800D 0.0312071363613806 V536D-F541D 0.0311714839685768 V800B-L808B 0.0309446428650331 F607C-W606D 0.030851880546608 T609C-G801D 0.0308354772925141 A602C-A810D 0.0304922357519484 V539D-A602D 0.0304662294649161 A528C-I612C 0.0302640738083286 A532C-M807D 0.0299303811533322 V536D-F607D 0.0298958368783173 L596C-S537D 0.0294692963163676 W526C-I613C 0.0293184394932573 V536C-V809D 0.0290297294827324 S537C-M807D 0.0282669922487718 I534D-V601D 0.0279722985850306 L542D-A602D 0.0277552569355848 W526C-L799D 0.0276677012017834 G603C-W606D 0.0271104584947337 W606C-Y616C 0.0269501564305705 A532C-F607C 0.0268970834367654 V530C-L610C 0.0255878419228621 F796D-A806D 0.025181558838848 S615C-A793D 0.024832696975944 L610C-G802D 0.0243563553930359 G603C-I798D 0.0239613700468906 W526C-F796D 0.0238060336373156 S537C-W606C 0.0230580692364937 S537D-A598D 0.022746962008942 W526D-L610D 0.022434434892979 V530C-I613C 0.02233170035651 V795C-L805C 0.0221542287605057 I529D-S615D 0.0219861134245924 V538D-W605D 0.0219512432030688 L542D-A598D 0.0216159154888134 R599C-I812D 0.0205221418000083 A598C-G801D 0.020420262206966 V538C-G801D 0.0202586755172764 I529C-I612C 0.0197569448125492 V530C-V539C 0.0197103618845595 V604C-L808D 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