[Wed Aug 24 18:43:16 2016] >Input file: TM2WW9ATD.pdb >TM segments: A33-46_A79-100_A117-131_A157-172_A175-194_A250-265_A292-310_A367-382_A429-445_A447-461_C59-72_B47-67 MAIDEN score = -92.3531 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 ----------- ---------------- P86A-Q127A 4.44301017408327 I189A-I453A 1.5734456300147 I252A-L444A 1.23225880437077 V64C-F163A 0.963413501527801 T36A-F175A 0.830566587284942 V194A-V61B 0.829349753904135 L44A-I64B 0.810263001952674 F85A-T301A 0.800968559516872 E81A-L157A 0.772921269636202 Q95A-L100A 0.761266129504499 L79A-L157A 0.755628992071121 S68C-I42A 0.74647819433809 I125A-I162A 0.743627280979197 L375A-S432A 0.739270146960785 I256A-L444A 0.726089012480193 L92A-F298A 0.69816776811358 Q264A-A458A 0.695019352881262 I256A-E442A 0.690755084295114 L375A-L436A 0.674393624821983 L80A-L157A 0.662531501163082 A46A-L80A 0.655347481855642 V260A-G441A 0.652534855247189 L84A-A181A 0.641174237476643 V187A-A60B 0.636195795289141 A255A-L444A 0.627117523871109 V170A-F175A 0.626225193176208 A190A-F58B 0.608996356428562 L167A-D172A 0.607552146722542 I379A-T429A 0.605896627770293 Y300A-A451A 0.604812298474634 V260A-I437A 0.574962958029497 S89A-I302A 0.572215432162458 I33A-F177A 0.567984438600894 F82A-G161A 0.561384744732544 V170A-G176A 0.555479471387757 I374A-S432A 0.549138544189594 Y300A-I374A 0.548162557372602 V170A-G180A 0.540965980337162 P86A-L131A 0.532097672552455 F71C-A160A 0.530988207524109 T36A-F177A 0.530770445278198 G378A-S435A 0.527077016322858 T191A-Y66B 0.522980611125577 A39A-L167A 0.522058568232032 T186A-I453A 0.515124956965085 L303A-F309A 0.512929535146122 F82A-L157A 0.512776767023347 F298A-F381A 0.508993582465209 L193A-V61B 0.508723205598733 S295A-G378A 0.505909791355564 V439A-A451A 0.501662046877803 N87A-I125A 0.496006690850688 S299A-F381A 0.491109488097213 A190A-I64B 0.48067428779776 V260A-A458A 0.477844388151007 G40A-V187A 0.476197378076964 V376A-S432A 0.473376946478901 I189A-G452A 0.46274848374456 C261A-V454A 0.461599920727137 A168A-S179A 0.456718930759881 Q264A-K49B 0.455051445157604 D172A-A181A 0.452779158591591 P86A-I125A 0.451613988353653 A257A-V454A 0.45051562333666 E169A-G180A 0.442945981718558 V260A-V454A 0.441489643998823 C261A-E442A 0.434317196274698 N185A-I453A 0.434257103159883 N87A-A124A 0.43006700536655 A46A-L79A 0.429885010437843 I256A-V454A 0.428908740931652 T120A-E169A 0.420013074313186 V296A-A431A 0.417575274658776 L297A-V455A 0.41433642601279 I88A-F298A 0.408745102690877 I72C-F45A 0.405392565826964 Y35A-F175A 0.401774382621396 I374A-S435A 0.400017800568109 S89A-A124A 0.396575418555796 Y128A-V158A 0.39594449304801 S61C-V170A 0.395353526173162 S371A-S435A 0.393639525602913 C293A-V455A 0.390831476745692 G40A-I184A 0.390503869437111 G441A-V454A 0.38535352088897 I374A-L436A 0.385205467487465 F82A-Y128A 0.384066470965456 Y128A-G161A 0.380406956225638 S89A-T301A 0.377499482779001 N87A-Q127A 0.37707221189299 T438A-V454A 0.372179398435637 Q264A-G459A 0.3689472990717 S295A-F381A 0.366994518877922 D172A-F177A 0.364087804728891 V187A-I64B 0.362880374138654 I171A-G176A 0.362650478016418 V34A-G176A 0.362402160474353 C261A-I50B 0.358999885056511 C261A-I457A 0.35455487702248 L84A-T165A 0.354272770837861 C293A-A458A 0.352278332306483 A257A-A53B 0.351211037464989 F82A-L131A 0.350891319961887 A255A-A450A 0.347623494542305 Y43A-I184A 0.347548275213103 L193A-V253A 0.347010061365729 L44A-A67B 0.34677427079336 E81A-P86A 0.345329000872573 G441A-A451A 0.344094388516965 I171A-F177A 0.342757056592104 A190A-K447A 0.340664076077431 F45A-E81A 0.339237303075651 Y262A-V433A 0.338211907688784 Y300A-G441A 0.337664180213626 A431A-A458A 0.336330085767957 S68C-A160A 0.334836740316274 L80A-T164A 0.333784994245428 C293A-T301A 0.331652874302113 T36A-T186A 0.330985041432591 L263A-A458A 0.330597228893506 G91A-Y128A 0.330462758860367 C261A-F58B 0.330099546310724 L84A-T164A 0.324533748026822 G292A-L434A 0.323897280302094 G40A-A181A 0.32350507895588 E81A-F163A 0.322796130586686 C261A-G441A 0.322244794229376 M182A-G456A 0.320782069644423 N192A-K449A 0.320273294182813 A257A-G57B 0.318485102152638 S68C-F163A 0.317911083955081 L94A-T120A 0.31712384720422 G441A-A450A 0.310458433295384 Q264A-I457A 0.310155481873844 T36A-E169A 0.308974876752303 A124A-A168A 0.304343111002357 L375A-V433A 0.304161687154768 G430A-G459A 0.304071272308693 N87A-Y128A 0.303074340443869 A257A-K52B 0.301984935759992 E81A-G159A 0.300006396911801 V296A-F381A 0.298473129258745 V64C-Y43A 0.297876348303555 S179A-G460A 0.297415536555645 G441A-G448A 0.29711039083938 V69C-I42A 0.295804673442198 A46A-A160A 0.294991020484505 N87A-F123A 0.29484928352045 L375A-A431A 0.292438730129147 G441A-G456A 0.292377951665047 Q95A-F381A 0.29037991294957 S435A-G452A 0.290148245895257 S265A-F461A 0.289840598860669 A257A-K449A 0.286701451092871 S299A-G378A 0.286084186667354 G83A-S89A 0.285879865876761 V64C-L166A 0.285216360503787 A257A-A451A 0.28194865513694 G91A-S295A 0.278506894928405 P86A-Y300A 0.278404532607768 A257A-G445A 0.278010609602016 G83A-L166A 0.276428010440186 T301A-T438A 0.275026362684037 G40A-A190A 0.274794217159155 S435A-A458A 0.274438265837935 L294A-G452A 0.274184099178058 T186A-I457A 0.273989013901307 C261A-Y47B 0.273006892801672 I184A-C293A 0.272991114830878 V64C-V170A 0.272387995077175 T438A-V455A 0.271317898279086 L193A-G65B 0.270492767915272 A190A-G55B 0.269650970113353 I88A-T301A 0.26880977146018 S90A-F123A 0.268175280978136 S89A-Q127A 0.267160550430638 A431A-G459A 0.265542818689705 V187A-V61B 0.264460127300979 Y43A-L80A 0.261936360702551 N185A-C293A 0.261500333135782 A190A-G65B 0.261046065069196 C261A-T48B 0.258906846888868 V296A-V455A 0.258700624000237 V253A-G445A 0.258634209676069 A190A-G448A 0.2582125597923 Y370A-V439A 0.256392263349063 A257A-G55B 0.255671048295198 V296A-L434A 0.25510131887482 G91A-S118A 0.252068532752428 Y370A-S443A 0.251065414591466 D60C-D172A 0.250998725147788 G176A-A181A 0.249800345864666 K121A-A181A 0.249032719622078 T377A-T438A 0.249004884188775 L80A-A160A 0.248160962657196 G292A-W380A 0.247749788628113 T186A-C293A 0.24734657911792 I259A-G441A 0.24585185051221 A168A-I184A 0.245457269909824 L92A-S299A 0.244900693803049 T36A-I171A 0.244748742947786 I302A-A310A 0.2404847995865 A255A-Y262A 0.236472463950253 L65C-T164A 0.235308731294166 C261A-T438A 0.234574925387258 A458A-A53B 0.232530518759198 L96A-T377A 0.232252486887945 A257A-F58B 0.231628950289477 E442A-V454A 0.231589854058345 L80A-G161A 0.231356432006744 I379A-S432A 0.23120874964933 G180A-G456A 0.230415607868969 S299A-I374A 0.230372568718213 Q95A-T377A 0.229811424410405 Y47B-K52B 0.229614467696621 A190A-A450A 0.229265682152969 V187A-I59B 0.228716684496823 S89A-S118A 0.228569823366157 Y43A-V170A 0.227855985159085 K121A-D172A 0.227329885643653 S90A-S295A 0.227084259547713 N87A-G180A 0.225430352901357 A39A-I171A 0.225170681316398 T377A-L436A 0.224412111600447 Q264A-F461A 0.223810971853324 N185A-G57B 0.223260813616765 G70C-A160A 0.221745907922877 A310A-Y370A 0.221745449712028 Y128A-I162A 0.221334433221287 I37A-G180A 0.22045350356262 Y43A-A168A 0.219898916036987 Q95A-T301A 0.219309696957896 P86A-L166A 0.218702739902039 D60C-L65C 0.216458007464869 G40A-I183A 0.216447614507898 C293A-G441A 0.215374167943017 P86A-S118A 0.214705756816532 F82A-A124A 0.214694402735925 N192A-G57B 0.214477511858925 A46A-G83A 0.213786622929971 P86A-L297A 0.213202858743953 S295A-I379A 0.212164839424357 S295A-V376A 0.212027849602599 F298A-A451A 0.211940518480309 W380A-T429A 0.211290165805685 S61C-G176A 0.210604448317949 L297A-G452A 0.210279031175144 T191A-G452A 0.209951010734829 N185A-G456A 0.209280453931286 T438A-G459A 0.207887756545873 N192A-V61B 0.206629545217757 G91A-T165A 0.206580320448137 V34A-I171A 0.206425238275719 G99A-T377A 0.204070514775366 G441A-A458A 0.203578065651804 S68C-A46A 0.203268672062602 G70C-I42A 0.20292521425793 S295A-A451A 0.202821257919446 S371A-L436A 0.201953034268835 T186A-I63B 0.200750886025583 M182A-V454A 0.200650662517458 F461A-G57B 0.199711925601609 T429A-T438A 0.19950564807677 I368A-T438A 0.199426844316407 L84A-N185A 0.197941006052215 I171A-G180A 0.197557662440205 T301A-I453A 0.197005547059276 P86A-L119A 0.196923511839145 V260A-F461A 0.196426911125165 Q117A-Q127A 0.196351700879727 S90A-Q127A 0.196063461351149 F461A-A53B 0.194145843681229 I183A-G456A 0.194135052954714 I37A-G176A 0.192738978491761 F304A-A310A 0.191896366252909 G91A-I302A 0.191413400089402 Q117A-E169A 0.191087330380829 T186A-T191A 0.190946758744333 V296A-L375A 0.190445750406484 L44A-V188A 0.190252115036806 A60B-A67B 0.189593421603808 I379A-G430A 0.189419758875316 V129A-V158A 0.188844961336386 S299A-V439A 0.188335854450891 E81A-N192A 0.187609490211736 N185A-G448A 0.186960979286692 Q95A-Q127A 0.186490019093982 V296A-S435A 0.186213661000832 N185A-S295A 0.185314990782703 T164A-N185A 0.18530813645071 Y43A-V61B 0.185304880272101 I457A-G57B 0.184204119642363 Y300A-F309A 0.183865705361888 S295A-G459A 0.182877353256091 Y300A-S432A 0.182633470912809 V253A-S443A 0.182345657206659 I251A-G445A 0.181777192090385 I125A-V158A 0.180079212958572 Q264A-C293A 0.179879785491447 G40A-L166A 0.179399546811219 S61C-L167A 0.17918314097602 L96A-G378A 0.178679702549436 A190A-G57B 0.178378042129373 N185A-G459A 0.177927916127098 S295A-L436A 0.177553150149757 T191A-G62B 0.177049824486282 N185A-F298A 0.176578532978169 G441A-I453A 0.175755212804528 N87A-L92A 0.17563983817796 A39A-T186A 0.175549481120604 K121A-F163A 0.175489761773691 N185A-L193A 0.175437365967989 S118A-L166A 0.17454292071281 G83A-Q127A 0.174325833740676 A190A-A60B 0.174135298392085 Y262A-I50B 0.173669829906516 Q117A-T165A 0.173352601036048 G91A-Y305A 0.173345336423435 P86A-K121A 0.172159671349985 T377A-L434A 0.171953982542824 A257A-K49B 0.17126080877588 I437A-A458A 0.170839327738881 T186A-A53B 0.170621087607506 Y370A-G441A 0.170372403592211 G91A-Y300A 0.170268768287681 S371A-G441A 0.170232461309804 V187A-V455A 0.169397800270405 Y35A-S179A 0.169267775152449 L444A-K449A 0.168921362803256 L80A-N185A 0.16866052107261 T377A-G430A 0.168142141490311 V194A-Y66B 0.168081161345153 A257A-G456A 0.168066516151968 L167A-G180A 0.167962558738708 I189A-I63B 0.167402146022545 A168A-V187A 0.167332801098506 A431A-G441A 0.167157257586809 G40A-F177A 0.167093116636408 C261A-L434A 0.166970820734925 Q264A-G441A 0.166701562790139 L263A-G456A 0.166643347869129 G70C-L79A 0.166453535048398 G70C-A39A 0.16623273620513 G456A-G55B 0.16589838269746 A372A-I379A 0.165642167353601 V260A-V51B 0.16557375059479 G83A-A190A 0.165548068775705 L92A-I302A 0.165333890954773 Y262A-G460A 0.165158231086277 A431A-V454A 0.165156400257416 V376A-V439A 0.165035241869417 I42A-I171A 0.164980820916044 T250A-K447A 0.164896161341261 G70C-A46A 0.164819542031883 T250A-L444A 0.164766411383308 V194A-V54B 0.164724236018935 S179A-N185A 0.163970587994452 G180A-C293A 0.163891468962275 Y35A-D172A 0.163461564563111 A450A-G459A 0.163202363783223 L84A-I184A 0.162996215834495 T191A-K447A 0.162936608481133 K121A-E169A 0.162599861433124 N192A-G452A 0.162195932724711 V122A-V158A 0.162132432582247 I88A-N185A 0.16199132665925 A190A-V61B 0.161949610498862 V187A-V54B 0.161157081748136 A190A-V455A 0.161062820843253 I437A-A450A 0.160602364087366 N192A-G65B 0.160424009146682 P86A-Q95A 0.1604074665068 L44A-N185A 0.160317514500742 Y300A-A310A 0.159794322341416 L92A-K121A 0.159772560614345 T164A-D172A 0.1596478380449 L263A-V433A 0.15945235182277 A46A-G159A 0.159398553652691 G91A-F381A 0.159303780484923 I189A-I59B 0.159104307036095 I256A-I50B 0.158982698827582 C293A-A431A 0.15876530579327 G456A-G57B 0.158288999847382 Y370A-S432A 0.158261163627406 Y43A-A67B 0.157905146207313 F367A-S435A 0.157849855815149 L92A-C293A 0.157826138472667 L79A-G161A 0.157695697128555 S89A-F381A 0.157455142571229 G452A-G57B 0.157019397245196 L263A-G441A 0.156557567227702 L41A-G176A 0.156516082205665 L96A-W380A 0.155621391898054 L375A-T429A 0.155609253191551 Y128A-Y305A 0.155560172817015 S295A-A431A 0.155255454117508 I306A-I374A 0.155166193105154 G292A-G456A 0.154600184734284 G55B-G65B 0.154394784177692 I440A-G445A 0.154377537712874 T36A-T164A 0.153972776724616 V64C-E169A 0.153934398840115 I437A-I457A 0.153441418433361 C261A-G452A 0.153249204944814 F85A-F163A 0.153070587614485 I189A-G456A 0.153018230254524 T120A-T164A 0.152793553349473 T301A-A450A 0.152741073113427 I33A-G176A 0.152550530169536 W380A-S435A 0.152116449530862 C261A-G430A 0.152081014967903 I72C-G159A 0.151585765507487 F82A-G159A 0.151314528769475 K121A-L167A 0.151184437567575 A382A-S435A 0.150824904972527 V188A-A67B 0.150789838249007 L263A-S432A 0.150655728788452 T438A-A450A 0.150224211762485 G83A-A124A 0.149722659529463 I37A-A168A 0.149529237410909 I379A-A431A 0.149163071913332 S61C-L166A 0.148705836697468 A255A-V54B 0.148497288712754 T191A-A450A 0.148237565386504 T120A-I162A 0.147788360057508 N185A-G452A 0.146678273252266 P86A-S299A 0.146582604328117 G91A-G99A 0.146368798050343 Q264A-L434A 0.145874694953606 V296A-I379A 0.145834098182368 I259A-I440A 0.145524986946366 C293A-L375A 0.145064992508497 A431A-G452A 0.144946196894804 L44A-G83A 0.144713151221293 G83A-T186A 0.144605529270154 L131A-G159A 0.144550463109645 Y43A-M182A 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