[Wed Aug 24 17:46:41 2016] >Input file: TM3BO0ATD.pdb >TM segments: A31-47_A55-94_A110-129_A138-158_A168-197_A209-226_A262-283_A320-340_C32-51_B37-63 MAIDEN score = -72.2556 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 ----------- ---------------- I67A-T72A 10 D44A-T69A 10 T63A-I75A 2.39662863602431 A64A-I174A 2.30340227503627 V89A-I94A 1.70189235049897 M40A-L70A 1.31330181257742 L193A-I210A 1.25322618229818 I43A-L70A 1.22528899383621 L88A-I93A 1.22506813604682 I83A-L268A 1.21824462126748 L70A-I147A 1.21399515443886 I54B-I39A 1.21075312813407 F196A-I210A 1.20833048260965 I71A-I147A 1.16083599494608 I43A-E44C 1.14186551500777 I75A-I170A 1.13311162062954 T59B-C42A 1.12165108592718 L88A-I94A 1.11388355708984 Q60A-I67A 1.11027446075502 I78A-S115A 1.09547391968728 I55A-I67A 1.05668993980851 I62A-I267A 1.02133582196564 L73A-I147A 0.951412134860373 A81A-K112A 0.924423999382952 Y37A-F173A 0.885150075190275 E122A-A148A 0.87423183018378 V266A-F337A 0.873712833277903 Y46A-T48C 0.867380057092745 M40A-I71A 0.855328239915099 I62A-I174A 0.85439120711988 I50B-Q180A 0.842720082760794 L73A-E122A 0.817731302000551 W59A-L278A 0.804093963447444 V45A-T69A 0.768141410005498 V266A-C334A 0.760286301090627 I49B-S179A 0.759749236230578 A123A-I144A 0.75648936957688 L187A-L193A 0.745560527546401 I116A-I152A 0.731197652485136 T63A-I174A 0.728984058455999 A186A-W194A 0.726441035102868 I67A-L73A 0.720925370390782 T47A-V143A 0.71306375139577 P77A-M118A 0.710944721116251 T61A-I174A 0.705386169253149 T61A-V178A 0.703631208944506 G48B-I182A 0.680628671251403 I78A-K112A 0.678947009105706 G48B-V178A 0.678173300085057 V45A-Q146A 0.675152982218575 Y192A-I213A 0.670072018217563 A129A-L278A 0.663769575337998 D44A-A45C 0.646604856785578 P77A-C119A 0.645880329381408 L47B-A175A 0.644405784389806 A269A-F337A 0.637616393665843 A269A-M330A 0.636911456407944 L193A-Y209A 0.627832418338237 V45A-T48C 0.621753402179096 V266A-A271A 0.614633300311043 S45B-S179A 0.601196854219353 C119A-F149A 0.599210765529233 F40C-A45C 0.594833611441366 V33A-D158A 0.59433203580801 A64A-F173A 0.593694135463427 K195A-I210A 0.590067695367704 F58A-A274A 0.582975302821955 A129A-W279A 0.578995198704041 V45A-L70A 0.578442033403355 S262A-G338A 0.570893584358276 I153A-V33C 0.569481502599396 Y192A-I210A 0.563989617592547 F38A-A176A 0.561718069721119 D44A-T48C 0.556071990535202 Y52B-G188A 0.554688949818174 Y46A-V143A 0.554593578575009 V127A-I144A 0.553706331360093 W59A-A271A 0.549986249705015 P265A-F337A 0.545205551512917 A186A-Y192A 0.544589159349622 F120A-I144A 0.541032383534425 C42A-L70A 0.539126056055746 H55B-Q180A 0.539090779175175 V124A-I144A 0.534419138414973 L73A-C119A 0.534140882714766 Y37A-L154A 0.531963708322673 L34A-F173A 0.529028723830214 L114A-C119A 0.526016237881127 L87A-F337A 0.525361418012404 V127A-A140A 0.525278279152642 F126A-L278A 0.520738590498462 I44B-A175A 0.519328954563996 Q60A-L73A 0.513030101684759 H55B-I39A 0.503865072219028 V79A-L268A 0.503244023075077 V33A-L157A 0.501533373232286 F126A-A282A 0.489529372870406 G90A-F340A 0.484291054301449 H55B-V184A 0.4811363354331 L193A-I213A 0.479096234493518 L157A-I34C 0.478646781956582 L34A-A176A 0.472870147810672 I83A-L272A 0.472718120629413 A37B-L221A 0.469501254647243 D158A-F173A 0.469028330323552 L73A-A148A 0.466092613768835 I75A-L154A 0.464440066838085 I78A-C119A 0.459982960789648 L73A-A123A 0.458864005725626 T80A-M118A 0.449504914330364 E57A-T63A 0.447292388424285 Q277A-Y326A 0.44529937900136 D44A-E44C 0.444924036173744 L125A-W279A 0.442356250330931 A129A-L283A 0.440527587163711 A129A-A282A 0.435796520723068 P77A-I116A 0.435106032466746 I62A-A270A 0.434676817609809 T63A-A271A 0.432448432604307 F120A-I145A 0.42995629881564 V89A-F340A 0.428331830125954 S91A-F340A 0.423789263576198 I75A-F173A 0.421618608082573 H55B-C42A 0.42078290846724 L187A-Y192A 0.420561126078788 T61A-G177A 0.417810429541295 A64A-V178A 0.417532555121656 L73A-S151A 0.411623706799781 G150A-F40C 0.407958695226638 I78A-M118A 0.407910629418771 T63A-E122A 0.406921817887966 H322A-M330A 0.406375963081063 G48B-T181A 0.403398747195643 L268A-F337A 0.402420406580009 L87A-F340A 0.400245090239236 I49B-F183A 0.399942076615873 P265A-C334A 0.399166156974829 I46C-R51C 0.395988179479979 R66A-L73A 0.394933458259339 L36A-V38C 0.38619659002964 I43A-A45C 0.385556538815592 A123A-I147A 0.382498423968532 A41B-A175A 0.377846894607733 T61A-T181A 0.377269999274296 M40A-T69A 0.376429446060133 T63A-T72A 0.375251093650515 I44B-S179A 0.374120984640509 A270A-M330A 0.372500082400638 V184A-E190A 0.370286341371897 I62A-A271A 0.367929613446828 H55B-S179A 0.367663772568783 V45A-I147A 0.36536423817634 V56B-P189A 0.365184055831063 K62B-Y49C 0.365091537165157 A58B-C42A 0.364438022004783 I78A-I155A 0.364178193257426 L268A-C334A 0.362345699405475 W59A-N275A 0.358990156888649 L70A-S151A 0.358167765795578 T80A-L268A 0.356044222721204 I49B-Q180A 0.355732663989637 T47A-L139A 0.355336746838486 Y46A-L47C 0.35375935300476 I83A-F337A 0.352991918044637 W59A-P77A 0.351659634602056 V39B-Y225A 0.349769412280057 I54B-F38A 0.34870053766808 A123A-A282A 0.347916347128608 L36A-T37C 0.346845835721827 C42A-T48C 0.346573992761844 T80A-S115A 0.346181966088681 T80A-L272A 0.346174180939179 I43A-V41C 0.344102872720153 Y156A-V38C 0.340648398846405 T63A-C119A 0.340118793417053 G48B-A176A 0.338522290648977 M85A-G90A 0.338324240213912 G90A-I339A 0.337761234967051 L187A-W194A 0.336662622816192 T63A-L73A 0.336613951912996 V219A-V224A 0.335873654116268 Y37A-V36C 0.334005785678285 Y46A-Q146A 0.332701320033411 C42A-T181A 0.33235258184518 F120A-I147A 0.33188298571392 L157A-G169A 0.331242062973756 G48B-Y37A 0.330854943602305 A186A-G215A 0.327562299556007 M40A-V143A 0.326236265722499 I50B-F38A 0.324473249717901 T37C-E44C 0.324202833944419 L157A-V33C 0.323497760781727 I67A-C119A 0.322445242662958 I62A-G76A 0.319530896353897 S65A-A175A 0.318961261351541 E122A-Q146A 0.317236418999545 K38B-A226A 0.316322168374967 Y60B-V184A 0.314159837917555 A81A-M118A 0.313810891468648 G43B-G51B 0.312264029345294 P77A-K112A 0.311123595389935 C119A-I152A 0.310300560799311 M85A-C110A 0.308737799587545 G48B-V184A 0.308701227651103 E122A-Q277A 0.308658965378618 F183A-G188A 0.305155549833547 F56A-I67A 0.304618297666184 G74A-G171A 0.304098213995969 A58B-G188A 0.301553124241805 M40A-D158A 0.300842151597034 I44B-A176A 0.300417550196439 Q277A-A282A 0.30022328292248 Q86A-F337A 0.299809460934645 C119A-V143A 0.299634814052316 H55B-G191A 0.299546066505008 Q180A-G185A 0.299032935067461 P57B-E190A 0.298906718993825 Y52B-F183A 0.298829985705094 G41A-S151A 0.298610123600115 A37B-L42B 0.298519278830626 I83A-A271A 0.296895837993693 T63A-V79A 0.29662552094804 G63B-G50C 0.296186675249015 G76A-G171A 0.29351194206216 G185A-G215A 0.293192507554625 H55B-G63B 0.29294245305625 I54B-V35A 0.291244608034054 K112A-S151A 0.290856438293052 L34A-G171A 0.290501956296402 Y37A-G171A 0.289688176110258 G41A-A45C 0.288758310492359 S65A-G76A 0.287930158653034 M85A-I94A 0.286996223605676 Q60A-G74A 0.2867074476341 T63A-T181A 0.283690152055232 T80A-A271A 0.283667737707046 I62A-C334A 0.282228908002524 I71A-A148A 0.281613571274618 I49B-C42A 0.280801483845293 I144A-F149A 0.279048471613322 C119A-S151A 0.278576294580836 E57A-R66A 0.277662165461073 C42A-V38C 0.276274258900731 I62A-I75A 0.272803207742176 G31A-L157A 0.272698268322593 G51B-A58B 0.272009952478933 Y192A-L197A 0.271620971884185 A37B-S45B 0.271237368583744 G68A-A123A 0.270684022944475 I75A-I155A 0.268161848850961 S45B-F183A 0.268107222598625 A186A-L193A 0.267453492468916 P77A-Y156A 0.267382548364837 T47A-T72A 0.267218314818956 C119A-I170A 0.265903101142095 V79A-S115A 0.263791544914587 C42A-R66A 0.260434720658177 V45A-V143A 0.259777695025668 V79A-A271A 0.258094504780525 C119A-N275A 0.258063620000965 A64A-I75A 0.257893543937026 T181A-E190A 0.25730127247905 L73A-F126A 0.256051232398832 S65A-A148A 0.254711450644351 G43B-G177A 0.254557295753805 V35A-D158A 0.253414273174373 A64A-A176A 0.249906073578027 G48B-F173A 0.247837324128247 T40B-T216A 0.246223121306236 G31A-F173A 0.245397285896772 G82A-F340A 0.24470397371087 V266A-G338A 0.24306598485278 G76A-F173A 0.242918399596662 G43B-G171A 0.242129513123302 Y46A-V127A 0.242061184190483 H55B-F38A 0.241955149021797 Q180A-Y192A 0.241785572890882 I78A-I116A 0.24169626036054 L87A-T333A 0.239815835232299 F126A-G280A 0.23883701801059 A270A-Y326A 0.238476783141488 D44A-Y49C 0.236378133608362 P77A-L113A 0.236353875337075 T47A-L70A 0.235094776715879 S115A-Y156A 0.235062300676131 Y156A-V33C 0.235036930307508 C119A-A148A 0.234930835636864 S45B-I50B 0.234503580089694 G41A-I71A 0.234379833725111 T47A-T48C 0.233716392195936 A269A-F340A 0.23367223237543 Q60A-F126A 0.232981571006049 Q60A-F273A 0.232407865670474 P77A-L272A 0.231779816208213 N263A-L268A 0.231014422589972 T59B-P189A 0.230623862432406 V33A-I155A 0.230323676881137 G74A-L154A 0.229338031687254 L70A-T48C 0.228533956802094 G48B-L172A 0.227321788294749 P189A-K195A 0.22705517160668 E57A-F273A 0.225092844732179 C119A-Q146A 0.22433143359939 A123A-I145A 0.224154744125498 G41A-F173A 0.222604153824474 T69A-I147A 0.220005514638903 H55B-T69A 0.219553521901484 Y46A-L142A 0.219406249118846 G150A-V38C 0.219110673889883 V89A-I339A 0.218223950270447 L46B-G31A 0.217869808086701 W59A-S65A 0.217549331749765 V79A-I174A 0.217292993714561 G74A-N275A 0.216881314253313 V79A-G171A 0.215193498942985 F126A-Q146A 0.214726831351669 V266A-M327A 0.214253428609242 C42A-I42C 0.214004843186063 V33A-G35C 0.212745681831269 A175A-Q180A 0.2126315277365 T63A-T69A 0.212568109743867 S179A-P212A 0.212391101502675 M118A-W279A 0.211817861744048 E57A-T181A 0.211785768154992 T61A-L73A 0.211379990384192 V79A-I267A 0.211117443129949 K38B-Y225A 0.211005799368671 G41A-T63A 0.210595247482974 Y52B-V184A 0.210422073995144 T61A-T80A 0.210273778215717 E122A-V127A 0.209109491938963 G128A-V143A 0.208654951660386 L125A-L278A 0.20836541687669 I116A-G150A 0.207868968382441 V79A-S151A 0.20783894448632 V41C-L47C 0.207818221914826 V56B-M40A 0.207456173535703 C42A-G185A 0.207424104049697 L34A-L172A 0.207359888463219 G74A-Q146A 0.207051689699921 A129A-A140A 0.206659931443465 Y37A-V33C 0.206274486694462 V56B-V184A 0.205434826274011 W59A-A64A 0.204034179900152 I43C-G50C 0.202972554243477 T72A-I78A 0.202340840218175 R66A-I71A 0.202267386320754 I62A-G74A 0.202150188969067 V35A-G177A 0.202136380492036 Y37A-V178A 0.20212218617869 W59A-G76A 0.200864208290506 P57B-K62B 0.200200475575201 L73A-T80A 0.200095528252282 F149A-V36C 0.199802686139471 G76A-I116A 0.199593667470546 T59B-T181A 0.199566117794879 V89A-F337A 0.199398535746735 Q111A-C119A 0.198942106444829 P77A-G169A 0.198588507953945 M40A-V36C 0.198564234553615 T69A-I153A 0.198019515575471 K62B-I43A 0.197888772839873 F120A-V143A 0.197816623111084 G48B-I174A 0.197590955599233 T63A-G82A 0.197027530540848 I84A-T333A 0.196659757391642 E44C-Y49C 0.195825389527727 I84A-C334A 0.195758537779774 S65A-Q180A 0.195590542029936 V266A-V335A 0.195502492793404 M118A-L154A 0.195231956026242 L172A-N263A 0.194252127437325 M85A-F340A 0.194165880070298 V124A-V143A 0.192824108473616 Y46A-F149A 0.191922455381629 Q180A-G191A 0.191498337828845 V184A-P189A 0.191179768089631 F38A-A175A 0.191052467929581 G82A-N275A 0.19082953496691 T47A-I43C 0.190753743955229 Y326A-I331A 0.190427561453374 V45A-F149A 0.189804719306139 C42A-Q180A 0.189783974300292 S168A-A176A 0.18968373242159 V127A-V143A 0.189499927827738 P57B-G185A 0.189488063572924 T63A-I147A 0.189091074571518 I71A-G177A 0.188733379450152 G128A-A282A 0.188451597371545 I32A-G35C 0.188143005286786 V45A-L47C 0.18760566001837 G76A-F273A 0.18746989852426 A64A-T80A 0.185458604171618 A64A-I170A 0.184753721154493 K112A-I155A 0.183867554059069 V184A-I213A 0.183806853637822 S262A-A270A 0.183783310183951 T61A-A269A 0.183204964452109 Y60B-G191A 0.182998942451231 F183A-T216A 0.182497932898059 T59B-G191A 0.182421735453346 L47B-A176A 0.182168147198605 M118A-G150A 0.18180310528483 G68A-I144A 0.181425465516579 L87A-P265A 0.181178374381318 Y52B-E190A 0.181154205764811 K112A-L154A 0.180852989854858 T72A-I174A 0.180700728908858 G48B-P57B 0.179946607399253 G51B-V184A 0.179883748684691 H55B-G185A 0.17929386772178 T40B-A176A 0.179105527754166 G41A-Y46A 0.179080489309602 I42C-L47C 0.178631895410255 I54B-G41A 0.178601790016637 L193A-G215A 0.178574642957434 M40A-V41C 0.178502278872867 A64A-I78A 0.178015533079006 L142A-G150A 0.177754950641615 I67A-A123A 0.177731262724953 I78A-C110A 0.177421259494088 I153A-D158A 0.177261427454908 V33A-I34C 0.176869614286944 Y37A-G35C 0.174773933290689 D158A-L172A 0.174245745168178 M118A-L272A 0.1739714508 T63A-A123A 0.173872316098879 G41A-R66A 0.173711732978393 S45B-G177A 0.173506951824804 C42A-G50C 0.173372427702852 A37B-I217A 0.173179523182074 V124A-A129A 0.172629134755432 S45B-V184A 0.172580902282425 G82A-A269A 0.172434935633549 I182A-G215A 0.172426724024882 V79A-E122A 0.172305657410598 Y37A-S179A 0.170912726108258 T63A-I276A 0.170763688902325 V266A-L272A 0.170397208998319 S45B-A186A 0.169702553113082 I71A-V143A 0.16903114612751 M85A-G338A 0.168877777470995 S91A-P265A 0.168680704087997 A269A-I276A 0.168252552413356 G41A-L70A 0.168162911914808 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