[Wed Aug 24 17:15:43 2016] >Input file: TM2LEGATD.pdb >TM segments: B21-38_B47-63_B71-85_B112-161 MAIDEN score = -5.9102 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 ----------- ---------------- V85B-I151B 1.87587773080907 A62B-V72B 1.68312672167612 A58B-I63B 1.40702959204689 W119B-F124B 1.0441855408217 V49B-D117B 0.981966303925551 V54B-W77B 0.98071913382657 A58B-W77B 0.885222189502714 L55B-W77B 0.826587067740498 V85B-F150B 0.770359020936293 A50B-R83B 0.72513896896724 G84B-I151B 0.675557563489515 A81B-Y153B 0.670077898249174 V54B-Y79B 0.639578051869334 Q33B-V125B 0.635813283649667 L116B-P121B 0.626578271569755 A81B-F150B 0.616243661225883 E26B-F52B 0.608355335904637 A81B-I151B 0.597359871831627 A73B-V161B 0.540278664898222 E47B-G84B 0.489531627210348 L55B-S80B 0.485450569350343 D117B-Q122B 0.481432183832622 L38B-V125B 0.463151102390504 V54B-I76B 0.460573789865045 E47B-P121B 0.457134439353987 A62B-Y71B 0.447086346701963 A50B-Y79B 0.436007873618577 E26B-P121B 0.429428850000492 S80B-L154B 0.426586737173897 A58B-I76B 0.39641771250716 E47B-P143B 0.388901369439348 V72B-W77B 0.384163143554154 I63B-A73B 0.374895717109728 R48B-G53B 0.371099989418094 V85B-L147B 0.362578708096972 V85B-L154B 0.358457763177547 K118B-F124B 0.357421797116869 Y153B-V161B 0.35670582853798 L78B-A157B 0.356097974691854 A22B-L55B 0.355797011544524 L38B-V123B 0.352374864073097 M74B-V158B 0.351709456648494 L51B-S80B 0.34722674118347 M74B-A157B 0.337042329630491 E26B-W31B 0.334540006949399 L37B-A126B 0.33279645476353 W31B-V125B 0.332528761240906 W77B-V160B 0.325702387176299 F82B-L154B 0.321068209564919 Q33B-A126B 0.319258538511914 E26B-L55B 0.318550521866078 S80B-A152B 0.318293697248491 A81B-G148B 0.309179171642022 V49B-P121B 0.303751240056409 Q33B-P121B 0.303341186050704 R48B-P121B 0.298634939575086 L51B-R83B 0.298592579972156 A22B-L27B 0.29603537316564 A73B-L78B 0.291323259463163 I63B-V72B 0.291029172360691 A81B-L154B 0.288781757664663 E26B-Q33B 0.285854331332831 A22B-L59B 0.283069116637746 A50B-L55B 0.281489898267039 L78B-R83B 0.279428384404946 L30B-R48B 0.277448473378351 E47B-Q144B 0.265043488244415 L51B-G84B 0.256336688873921 R48B-K118B 0.255146179547893 W77B-V156B 0.252983442494856 E47B-Q122B 0.251889373044811 E26B-R48B 0.245138741807435 Q33B-Q144B 0.242251522922484 R48B-Y79B 0.237620122014401 F32B-Q122B 0.235802965987204 E47B-F52B 0.234067390652102 G53B-A81B 0.233522799515468 L38B-P143B 0.229825856043208 V35B-V125B 0.228566626150943 V54B-V75B 0.223979885454187 L25B-L30B 0.223833562225952 L38B-A126B 0.221953101028797 A24B-F32B 0.220591069743812 H34B-Q122B 0.218411168536686 L55B-G84B 0.215813345759324 K118B-V123B 0.213587109436456 G53B-D117B 0.212356268392535 F52B-G84B 0.207775288700251 G84B-A157B 0.20768497346201 H34B-V125B 0.205533487682969 E47B-L146B 0.205074274964349 H34B-P121B 0.202981898164281 A62B-A73B 0.201667644003337 R48B-Q122B 0.199940569481048 A50B-D117B 0.195073765805751 G56B-I76B 0.193648482130371 E26B-A58B 0.193117148959519 G56B-P121B 0.190799806416367 D117B-V125B 0.185169500728501 W77B-V161B 0.184164941298832 M74B-V161B 0.183459587347187 E26B-A57B 0.18008771023866 T28B-I149B 0.177236210861473 V72B-V161B 0.172162187493349 L51B-P121B 0.169950872642419 A57B-A62B 0.163390852728086 F82B-F150B 0.162941485649726 A57B-G84B 0.161963288115781 G53B-A157B 0.161636831452177 A24B-G53B 0.161636831452177 I63B-V75B 0.160883711408937 M74B-Y153B 0.159108252985486 A29B-V35B 0.156533642461471 W31B-R48B 0.156145549707325 L55B-I76B 0.155705013938188 G53B-P115B 0.154134262761961 L37B-M142B 0.153921631315709 G53B-G61B 0.153143956987589 A57B-I76B 0.152511958489784 T21B-L55B 0.152495339533063 I151B-A157B 0.151289250814338 R83B-A152B 0.150730684967751 E47B-Y153B 0.150569849613718 I149B-A157B 0.150136186418992 A29B-R48B 0.14894346285581 H34B-V120B 0.148000700214814 T21B-I60B 0.144705090893174 R83B-A157B 0.143849275015803 E26B-E47B 0.142516923438675 M36B-A126B 0.141183230985233 V35B-A126B 0.140767732357112 Q33B-M142B 0.140721490480444 V54B-I60B 0.140034049303126 G84B-L154B 0.137963473967183 E47B-R83B 0.137682824638059 G56B-M74B 0.137315719639911 A22B-R48B 0.137213797182149 L59B-Y71B 0.137062290224075 I76B-V161B 0.136741500289862 L55B-I60B 0.136354554242991 R48B-A81B 0.13584434209752 I76B-V158B 0.135676268012748 E26B-H34B 0.135450788441032 V85B-V158B 0.133707617264271 W31B-P121B 0.133346401704991 A24B-F52B 0.132926563638533 A57B-A157B 0.132907338612493 A22B-G53B 0.131054115903031 E47B-F150B 0.130961649074334 V72B-V156B 0.1309339705296 A50B-Q122B 0.130769217581705 V85B-I149B 0.130569884650828 L30B-V123B 0.129872460206618 V49B-L116B 0.129555211530138 A57B-Y71B 0.129449727438792 L37B-V123B 0.129107330720645 A58B-A157B 0.128316004110935 Y71B-Y79B 0.128022266041469 A22B-Y153B 0.127597763146941 A57B-A81B 0.127282589208606 I60B-V72B 0.12694811335499 R48B-F124B 0.126671834610874 G53B-P121B 0.125982723630088 L23B-I63B 0.123498543666371 L38B-Q122B 0.122759496344471 Q33B-R48B 0.122434764656323 W77B-F150B 0.122092435532932 A29B-P143B 0.120878994865789 H34B-K118B 0.120771136088956 F52B-K118B 0.120521614051257 T28B-F52B 0.120427709416175 L30B-L146B 0.120421610025544 W31B-L37B 0.11994278703276 G53B-G84B 0.119641920694145 A29B-S80B 0.11926893826171 L146B-L154B 0.119047354726072 L30B-L55B 0.116985941989568 A29B-G56B 0.115898568396154 T21B-I63B 0.11559363960912 Y71B-V156B 0.115553494128731 L55B-A157B 0.114181875562055 A57B-I63B 0.114024411916121 M36B-V123B 0.112621870799282 G56B-G84B 0.111842827534868 A58B-V156B 0.111262525427485 V49B-A81B 0.111222972885867 E47B-G148B 0.110811176196654 V49B-V125B 0.109687418846442 A62B-S80B 0.109600121974861 A50B-P121B 0.109565205761071 G84B-P143B 0.109318768944611 L38B-P121B 0.108688225072221 W113B-K118B 0.108202777691607 A22B-A62B 0.107757932379119 Q33B-L146B 0.107288254646014 G148B-V156B 0.106583773508302 L51B-L78B 0.106547415457209 E26B-Q122B 0.106465944747328 A22B-G61B 0.106461452132604 A29B-G53B 0.106311785992127 F52B-Q122B 0.105816962211259 A73B-A81B 0.105705450098361 L27B-A50B 0.105689231133796 L146B-Y153B 0.105240482943918 A81B-V161B 0.10518463905761 V85B-Q144B 0.105030902299006 M36B-P143B 0.104944620420774 A58B-Y79B 0.104691959988056 G56B-Y153B 0.104412373837111 G84B-I149B 0.104349366013008 L30B-Q122B 0.104182993407434 A81B-A157B 0.104031330762754 A24B-L55B 0.103781561017468 L55B-Y153B 0.103421054466393 G61B-W77B 0.103242280318683 G53B-F82B 0.103152292732627 W77B-L159B 0.102956981114628 L55B-V72B 0.102920273983737 L59B-V160B 0.102807805083222 Q144B-F150B 0.102757854326909 Y71B-L78B 0.102741825808272 V35B-F124B 0.101697605250419 E47B-D117B 0.101599700689931 V54B-V158B 0.100039716509536 R48B-P143B 0.099954795766521 W77B-L154B 0.0998718977356106 T21B-T28B 0.099636739803227 L25B-A152B 0.0990690588367702 T21B-I149B 0.098893298054981 T28B-R48B 0.0986848302109803 V54B-V85B 0.0982629633461114 L27B-V49B 0.098068314687314 L59B-S80B 0.0979560243515447 L38B-W119B 0.0973674371980948 R48B-R83B 0.096756985194968 S80B-V158B 0.0964824265545445 G56B-I63B 0.0962177510730591 G56B-V72B 0.0961949428248978 A24B-H34B 0.096157713733934 L51B-V85B 0.0958537386662579 I76B-A81B 0.095663468995677 A62B-V158B 0.0955293383227902 L55B-A152B 0.09471795691978 G53B-Y153B 0.0946020704728179 A62B-A157B 0.0944362880603173 L38B-K118B 0.0941886369585894 A22B-F32B 0.0940008919750897 A57B-A73B 0.0934445609478658 L27B-L51B 0.0934137291412598 A58B-L159B 0.0932580448280422 L55B-I151B 0.0931623882649121 I76B-I155B 0.0928657559982864 A62B-Y79B 0.0923224729356611 F82B-A152B 0.0915220951083917 V54B-F82B 0.0911645092943205 A50B-Y153B 0.0910245844175068 L27B-V35B 0.0909168364487185 V35B-Q122B 0.0892820053306673 I63B-L159B 0.0887272854492007 L38B-F124B 0.0887028056807619 L30B-V49B 0.0882600096766604 A24B-A29B 0.0880165154462151 L114B-W119B 0.0876191787393692 T28B-M36B 0.0874869699006374 L38B-M142B 0.0872337435827326 V54B-V156B 0.0867372651376801 A22B-S80B 0.086643565042773 L27B-L59B 0.0864079517678134 A50B-L78B 0.0854432596189918 F52B-G61B 0.0850887144962504 E47B-L147B 0.0849487809371676 E26B-S80B 0.0848967726042824 G53B-I63B 0.0847075435260252 A73B-V156B 0.084667412937987 L30B-A126B 0.0844291478093675 L59B-V75B 0.083906430289034 M36B-M142B 0.0838298958645423 R83B-L146B 0.0824390059435919 I149B-I155B 0.0822126669418362 F52B-A57B 0.0821039152617757 A29B-V49B 0.0815194402016437 A29B-L38B 0.0805756375215712 Y71B-W77B 0.080405805546008 L23B-V54B 0.0791633925479669 R48B-V120B 0.0781675771464605 I151B-L159B 0.0781291206523065 V54B-A157B 0.077119472720192 M74B-I155B 0.0770473884497695 L27B-A126B 0.0767966619394116 G56B-V75B 0.0767598125033109 T21B-G56B 0.0764027981130528 S80B-I149B 0.076153221226277 A24B-L59B 0.0750696346768138 F32B-L38B 0.0747623190099329 L55B-V160B 0.0743998148236213 L25B-V49B 0.0739865115501141 A81B-L146B 0.0736676766354805 A24B-I60B 0.0734983710619181 L30B-G53B 0.0724721565054232 R83B-L147B 0.0722024564705821 V75B-R83B 0.0713066815984207 E47B-G56B 0.0702857227021143 W77B-A157B 0.0701207903845305 A50B-V75B 0.0700277601391237 A24B-L51B 0.0698015872784614 L114B-P121B 0.0695187112325453 R48B-Q144B 0.0690128405637966 Y71B-S80B 0.0684152487896164 L27B-R48B 0.068216197306233 A29B-P121B 0.0680230246271183 A62B-I76B 0.0679149204395655 L27B-L55B 0.0676437946131232 L51B-I60B 0.0674505358578736 V75B-L154B 0.0667901890001437 L59B-W77B 0.0667436199753064 Q33B-V120B 0.0666409437236415 A81B-L159B 0.0661343210758636 L55B-F82B 0.0660156061293256 F32B-P121B 0.065567579133276 A50B-L147B 0.0654928698263486 T28B-L146B 0.0649619603625695 L51B-L154B 0.0626524780365623 G61B-Y79B 0.0622525975744281 L30B-K118B 0.0613397389599784 A58B-V160B 0.0607773678844703 L59B-A157B 0.0605581853690236 A50B-L116B 0.0597190851808058 L51B-Q122B 0.0595297799880576 A50B-A58B 0.0594981281270908 G56B-A157B 0.0582377363609592 A50B-L114B 0.0577181060652636 F150B-I155B 0.0573881792214372 Y71B-A157B 0.0573453108228001 L27B-G56B 0.0571266416360698 L55B-I155B 0.0569883729854475 L25B-E47B 0.0568511731981696 I76B-Y153B 0.0567965959992938 L23B-A57B 0.0566496955864131 E47B-Y79B 0.0565018350469442 E47B-W145B 0.0560920355901079 F52B-D117B 0.0559748999405896 W145B-A152B 0.0556117663870141 A22B-A50B 0.0548952450494697 L25B-A50B 0.0547020161552454 A29B-A50B 0.0546943048795496 V85B-G148B 0.0543573870260019 V120B-V125B 0.0543226656121831 L25B-Q33B 0.0538815265418391 R48B-V123B 0.0532402217487946 Y79B-F150B 0.0531744228545508 A57B-L78B 0.0514047412354874 S80B-L147B 0.0513676321069578 G84B-V158B 0.0511566092013937 M142B-I149B 0.0510841121940739 L27B-P121B 0.0502240473471982 V75B-L159B 0.0497396476922587 I63B-L78B 0.0491911313552982 L55B-I149B 0.0490844996644613 V54B-I151B 0.0489649132335508 A50B-V85B 0.0483848319036384 A73B-L154B 0.0482646538383902 L25B-L51B 0.0476479390445774 A24B-I149B 0.0473148450909422 L30B-A50B 0.0470204087308308 A58B-A81B 0.0457441074200367 F32B-L51B 0.0453650045132932 R48B-S80B 0.0448081486265326 L51B-A152B 0.0447397857748721 E47B-W77B 0.0446315202938073 G53B-L78B 0.0445614278510917 L51B-M74B 0.044106957230492 S80B-G148B 0.044094131607852 A22B-A157B 0.0439974258195126 M36B-F124B 0.0439472384086158 V54B-I155B 0.0429529041735925 A24B-A58B 0.0426576524586801 F52B-V120B 0.0426193422300671 V75B-G84B 0.0426105043470812 V49B-F82B 0.0424454983799528 R83B-G148B 0.0423811171922681 A50B-L146B 0.0420638478728868 G53B-K118B 0.0415585163828487 V49B-A57B 0.0412453937040285 L51B-A157B 0.0406042252653016 L59B-L78B 0.0399736214086719 I76B-G84B 0.0399299120090757 V49B-F150B 0.0397054645894722 V120B-A126B 0.0393748083867731 V49B-Y79B 0.0385528135035463 A29B-L55B 0.0385170047420664 L27B-F124B 0.0379778003282993 L25B-P121B 0.0378196478550761 F82B-I151B 0.0369846644970724 V54B-V160B 0.036882610738969 A50B-L154B 0.0361531373086954 A29B-I149B 0.0359585639547015 F52B-A81B 0.0357001553865608 Y71B-V161B 0.0354990820775729 V75B-I155B 0.0351496004324012 A29B-F124B 0.0349582037926535 T21B-E26B 0.0346074063678152 A29B-G148B 0.034075554444986 W77B-V158B 0.0331550275247199 G84B-I155B 0.0329685018050045 L25B-A58B 0.0325934427806986 L78B-A152B 0.0325412716789109 A29B-L147B 0.0325134467227407 R48B-V125B 0.0324408713048823 R48B-V85B 0.032048144597335 I63B-M74B 0.0319653933811512 E26B-V54B 0.0316198766345668 T28B-F150B 0.031147850819818 S80B-V85B 0.0309440616342256 A22B-I63B 0.0307358010898793 L51B-F82B 0.0297306845261427 I76B-L159B 0.0295775966740059 L55B-P121B 0.0293542168089047 M74B-L154B 0.0291656299351191 V49B-F124B 0.0290487153777801 A57B-R83B 0.0285155441038416 R48B-F150B 0.028227971418828 F32B-F124B 0.0280714808537379 T21B-V156B 0.0276329002036965 T21B-A152B 0.0272694485861464 A29B-H34B 0.0265472529330881 T21B-V54B 0.0264612002143385 I63B-I76B 0.0255540095745737 A62B-V161B 0.0245454676265506 W77B-F82B 0.0245282727365561 T21B-A157B 0.0221909992055815 Q33B-L51B 0.0220262244032305 F32B-L37B 0.0217019697732992 S80B-V160B 0.0213013020375481 L55B-V85B 0.021239246186249 R48B-I76B 0.0209917060584176 L30B-V54B 0.0203245210229968 T28B-V35B 0.0202081097530504 L78B-V160B 0.0196586564628429 E26B-V49B 0.0192652267791935 V54B-I149B 0.0187710085839132 G84B-Q144B 0.0183482848963754 L37B-Q122B 0.017633683953175 I60B-I76B 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