[Wed Aug 24 18:28:10 2016] >Input file: TM2WLKATD.pdb >TM segments: A44-75_A81-132_B44-75_B81-132 MAIDEN score = -84.9224 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 ----------- ---------------- I97B-T96A 1.79529860056349 V74A-I105A 1.77449519273414 V74B-I105B 1.73648312627227 I97B-I97A 1.58023937988703 I75A-I105A 1.50024691180944 I75B-I105B 1.48723781787318 Q92A-I97A 1.11420391049378 I75B-L102B 1.10471292767166 I75A-L102A 1.10353634982198 Q92B-I97B 1.10061926773196 I75A-I103A 1.08031870016337 I75B-I103B 1.07196906213577 I131B-V126A 1.01086210157828 V44A-F49A 0.897389303017232 V44B-F49B 0.890058510420281 F88B-T114A 0.80120072445412 Y68B-V74B 0.799680765691559 M94B-A117B 0.777176361163363 Y68A-V74A 0.765709957352621 M94A-A117A 0.760484220570049 C71B-L108B 0.751171248550494 C71A-L108A 0.750543834621381 M94A-E116A 0.736660105215776 M94B-E116B 0.735304418494347 I131B-S129A 0.707149278483412 Y68B-L112B 0.693169741802483 Y68A-L112A 0.692418276324743 I97B-T93A 0.688855454742471 I75A-P104A 0.67608541542069 I75B-P104B 0.675116464689069 V74B-G106B 0.663948586684173 V74A-G106A 0.661689421843485 L124B-M121A 0.640782639766447 A65A-F83A 0.633761953263083 A65B-F83B 0.632027215511586 A62B-F87B 0.617991283507114 A62A-F87A 0.617974928614757 T93A-V113A 0.616199354783173 Y68A-A86A 0.614337941346873 Y68B-A86B 0.606754650713446 T93B-V113B 0.605654150315806 K101B-I103A 0.596459150006899 V91B-A117A 0.557215829154103 F89B-L102B 0.546800247493813 F89A-L102A 0.536774853474194 Y132B-A125A 0.516049724554892 L69B-F83B 0.510873855037247 L69A-F83A 0.506169234103699 Y99B-I103A 0.499159626373215 L66A-F83A 0.489740140565508 P104A-E116A 0.487897397229141 P104B-E116B 0.48728941728661 L66B-F83B 0.484171471643507 F64B-F87B 0.478440829190387 F64A-F87A 0.475683089035386 G98B-I97A 0.45315272532698 L69A-A86A 0.439315301911302 Y99B-Y99A 0.436940209808316 K101B-G100A 0.434982367653115 L69B-A86B 0.433339465828338 I105A-N110A 0.430402502930024 F64A-E116A 0.426214761368318 I105B-N110B 0.409590151751207 F64B-E116B 0.40947519261648 A128B-V126A 0.390431921027307 Y68A-I75A 0.38887945168659 V74B-P104B 0.387941882057834 V74A-P104A 0.387640409008407 Y68A-Q92A 0.385146399670722 T93A-T114A 0.385119055604006 T93B-T114B 0.382106659198836 Y68B-I75B 0.38192984927495 M94A-G120A 0.380830580350115 M94B-G120B 0.379440605778188 V74B-A109B 0.376824358776119 Y68B-Q92B 0.376392632060725 V74A-A109A 0.371898334704122 C71B-G81B 0.36927105187791 C71A-G81A 0.36892646791671 A125B-A128A 0.357993828964504 Y99B-K101A 0.356263489394744 Y99B-G100A 0.35438984716692 F49B-C119A 0.347362526296476 N61B-M94B 0.34559411045123 M94B-L118B 0.344610301100345 M94A-L118A 0.344414591768599 A128B-S129A 0.341120949500889 G98A-I103A 0.339900938213463 F88B-E116A 0.337814223301459 A86B-A109B 0.33521018407349 A86A-A109A 0.333526110286662 G98B-A95A 0.329119511652755 N61A-M94A 0.328520759769983 T111B-C119B 0.327813591930134 T111A-C119A 0.325588525817877 G98B-I103B 0.324258053675267 Y68A-D73A 0.321490122124383 G98B-A117A 0.32069000862375 Y68B-D73B 0.319874491136932 T54B-T111A 0.317404738952079 A128B-L122A 0.314225541155836 K101B-P104A 0.31218043206637 C71A-V113A 0.306875498514015 A95B-L118A 0.305908451435161 C71B-V113B 0.304531367334055 Y132B-V126A 0.301477840300262 I97B-A117A 0.300423163609499 Y132B-L130A 0.300152601673316 A65A-G72A 0.299932843444128 A127B-L122A 0.299922775880349 A65B-G72B 0.298558691676443 T54B-E116A 0.297847803250976 T51B-C119A 0.29486472546765 T96A-P104A 0.292159778449968 T96B-P104B 0.291934986322248 T54B-L118A 0.288640767123534 N61A-G123A 0.286993418305369 N61B-G123B 0.284303639181967 V74B-D85B 0.28373976430932 V74A-D85A 0.282775231423416 A67A-L112A 0.280468481617088 A67B-L112B 0.279907277785555 L66A-A86A 0.279345271406588 L66B-A86B 0.279027839167117 G123B-L118A 0.278294164608501 A95A-G120A 0.278183827732645 G55B-L118A 0.276263628456859 T84B-P104A 0.27619510819361 G55A-G123A 0.276153206370089 G120B-A117A 0.275740389882215 Y57B-Q92B 0.275651531326563 Y57A-Q92A 0.274621438813849 M94B-N110B 0.274373452043531 G55B-G123B 0.270982014722851 Y99B-V91A 0.270021872959552 M94A-N110A 0.269670383559868 D85B-V113A 0.268123225800157 G72A-S82A 0.267965466480424 A95B-G120B 0.267746924195585 N61B-E116A 0.266736779374511 G72B-S82B 0.263565507578707 C71B-N110B 0.255974690089759 A127B-A125A 0.254630973832616 C71A-N110A 0.25460814105896 L69A-V74A 0.254250545289866 L69B-V74B 0.25377279417093 A95A-A117A 0.251421238486512 C71B-T111B 0.251366919180799 C71A-T111A 0.25122826202989 A127B-S129A 0.250646796590048 F64A-L112A 0.248224346137823 F64B-L112B 0.247725110555853 A95B-A117B 0.247503507515941 Q92B-N110A 0.246626388924923 A128B-L124A 0.246143749499594 L69A-G81A 0.243673430693146 D85A-M94A 0.243098230093904 T51B-L118A 0.241887838154748 T96B-L118A 0.241703108878717 D85B-M94B 0.241491435107642 T60A-T84A 0.24072361063635 T84B-L108A 0.240587386019532 A125B-S129A 0.239590002517165 T60B-T84B 0.239188136975723 A128B-A125A 0.236946944466173 L69B-G81B 0.235741882178544 A65A-F89A 0.235337216421048 F49B-Y132B 0.235068491110157 F49A-Y132A 0.235033066293863 N61A-Q92A 0.234794497132416 N61B-Q92B 0.234570675261714 T60A-Q92A 0.23238789035435 F64B-A117B 0.232092174267088 G81A-F87A 0.231799483365732 G81B-F87B 0.229614016915815 T60B-T114A 0.229560531821017 T60B-Q92B 0.227973309534459 F64A-A117A 0.226901311109097 G72A-A86A 0.225481532775493 Q92A-T114A 0.22366702450956 Q92B-T114B 0.223412067122316 Q92B-M94A 0.223236605197223 G72B-A86B 0.221099059715534 A127B-G123A 0.220001139793465 A65B-F89B 0.219288441568786 Y57A-S90A 0.218571296453132 I97A-G120A 0.216267877140862 C71A-P107A 0.215978431618427 Q92B-E116A 0.214310319961834 A67B-S82B 0.214030557561883 F64A-S90A 0.213458183957371 A67A-S82A 0.21341441146159 C71B-P107B 0.213127222873842 D73A-G106A 0.212169670541024 I97B-G120B 0.211296013647167 F64B-S90B 0.210841189402151 T51B-T114A 0.209174142331887 Q92B-P107A 0.209035795124541 V91B-L118A 0.2087021024684 D73B-G106B 0.207745886952677 Y57B-S90B 0.207458968146132 V91B-T114A 0.207034724865589 T51A-T60A 0.204228255252803 T96B-G100A 0.202967319285512 L58B-T111A 0.202916255356255 M94A-L102A 0.202838476209519 M94B-L102B 0.202707923601696 M121B-L124A 0.202458351939523 Q92B-A117A 0.200362369147335 V74B-L102B 0.199025673668846 I131B-A125A 0.198716370064947 D85B-N110A 0.198650991016139 T51B-T60B 0.198581827717956 V59B-S90B 0.198513886545217 V74A-L102A 0.198467090244253 G98B-N110A 0.198293414656451 G98B-T114A 0.19784962368684 V59A-S90A 0.194776140725369 I75A-F89A 0.1945455226193 F64A-G120A 0.194475455208335 D85B-T111A 0.194444320547043 T84B-Q92B 0.193583649347384 I75B-K101B 0.192693916774422 F87A-E116A 0.192667624107785 I75A-K101A 0.192463037213801 P104B-V113B 0.19242957921879 T51A-I131A 0.191957894313662 T84A-Q92A 0.19193597703294 Q92B-P104B 0.190047244221825 T51B-I131B 0.189957015772814 N61B-L69B 0.189354272048615 Q92A-P104A 0.189091980779063 N61B-L115A 0.188927678674062 A67B-T114B 0.18818321904685 T93B-I105B 0.187336190409034 T96A-G123A 0.186877538589795 A86B-T111A 0.186714852346693 G120B-T96A 0.186587351909855 G100B-T93A 0.186552549347513 A67A-T114A 0.18615666750928 F83B-N110A 0.186062250626839 P104A-V113A 0.185758806146289 N61A-L69A 0.184966485458951 L58B-M121A 0.184651910646996 L102B-P104A 0.184475657568883 T54B-G120A 0.184473083682467 F87B-E116B 0.184295230298695 G123B-A125A 0.183505211521444 T96B-G123B 0.182887163111983 Y57B-G120A 0.180886653810241 I75B-F89B 0.180782475262072 I75A-G106A 0.180518860384548 Y99B-S90A 0.180348878420305 S90B-A117A 0.180244136632908 F64B-G120B 0.180058331525195 M94B-G98A 0.179750662961352 I97A-T114A 0.179202351629504 P107A-L115A 0.179102479140555 Y57B-A117A 0.178122011648096 T93A-I105A 0.177949903929429 P107B-L115B 0.177698712450342 A67B-T84B 0.177387847185153 A70B-A86B 0.176428592461392 I75B-G106B 0.175848044638416 S90B-L118A 0.175757103621242 A67A-T84A 0.174689670073911 Y99B-L102A 0.17267984900739 A86B-I103B 0.172560714281153 T54B-I131B 0.172254207688713 I97B-G120A 0.17144797950323 Y68A-M94A 0.171070533921556 V91A-I97A 0.170569810335383 I97B-T114B 0.169395504344358 Y68B-M94B 0.169345924228451 A70A-A86A 0.167014553047018 T93B-T111A 0.165816807025233 V91B-I97B 0.16426750911694 S82B-L102B 0.164255407586511 A86A-I103A 0.164192942319965 S45B-L130B 0.163444139472714 T54A-I131A 0.163294047913169 A62A-D85A 0.163018075469496 G55B-T114A 0.162257839216908 A62B-D85B 0.162210682572355 V74B-S82B 0.16213361731484 S90A-V113A 0.161381615757898 Y57B-E116A 0.161110324433293 I103B-I103A 0.160586096575865 S45A-L130A 0.159061992693097 F64B-S82B 0.158101938822723 W46A-L52A 0.157932467353982 W46B-L52B 0.157850742722314 T96A-K101A 0.157523411907972 V74A-F89A 0.156938832681028 F64A-S82A 0.156564663498091 Y132B-M121A 0.156558267312512 D85B-L102B 0.156323557551682 V74A-S82A 0.156321168760127 S82A-L102A 0.156192926238012 T96B-K101B 0.155401145218373 A86B-T114A 0.155390883706527 I53A-A128A 0.155175680697223 V74B-F89B 0.154454263013556 D85A-L102A 0.154282001719202 Y99A-V113A 0.153505127202539 A65B-D85B 0.153485580937772 A65A-D85A 0.151282066155168 T60B-T114B 0.151250417515917 I103A-V113A 0.150983108370019 I53B-A128B 0.15066455434869 T60A-T114A 0.14943087066974 F64A-M94A 0.149163745267531 L63B-C71B 0.148791174107164 S90B-V113B 0.148393853431774 Y99B-V113B 0.148002340931174 L63A-C71A 0.14704361104472 T96A-T111A 0.146364062631279 T96B-T111B 0.146254991890752 W46A-T54A 0.146251126737831 W46B-T54B 0.146126986392216 I53B-T114A 0.146096237349167 I103B-V113B 0.146028634199636 A62B-Q92B 0.145859990727667 A62A-Q92A 0.145847203602055 M94B-G120A 0.145740900084711 A95A-E116A 0.144943599798869 I131B-L122A 0.144661497910869 I75B-A109B 0.144636618965418 F89B-A109B 0.144508072110943 S90B-C119B 0.1442681996534 Y68A-L108A 0.143904028603011 L124B-G123A 0.143454511980253 P47B-L122A 0.14310414287047 S90A-C119A 0.142425960219525 A95B-E116B 0.142379509409162 A128B-G120A 0.142172917459661 I75A-A109A 0.14211516869231 I53A-G123A 0.141803265696929 S90B-T114B 0.141542731388715 A65B-M94B 0.141193274614796 F49A-S129A 0.14079029689847 S90A-T114A 0.140730841718069 G123B-G123A 0.140150179438692 A65A-M94A 0.139602369069213 Y68B-L108B 0.137979716878215 A67A-D73A 0.137960347959229 Q92A-L102A 0.137914832344484 Q92B-L102B 0.137898379991374 C71A-S82A 0.137692321833646 A67B-D73B 0.137424440393188 T54B-A95B 0.137037351899169 D73A-G81A 0.136994278042452 C71B-S82B 0.136350640603946 F49B-S129B 0.136293737482202 L52A-Y57A 0.136095146470793 G100B-T96A 0.134500034776184 S90B-K101B 0.134186645918029 T54A-A95A 0.133872360466365 T84A-T93A 0.133538850604816 V126B-S129A 0.133280850883848 A70B-S82B 0.133090772969862 T84B-T93B 0.132927485795489 S90A-K101A 0.132820772893048 A125B-A127A 0.132695343909395 F89A-A109A 0.132600911037169 C119B-M121A 0.131911886291578 G98A-T114A 0.131869009285013 A95A-A127A 0.131602390789834 A95B-A127B 0.131543128701207 Q92B-P104A 0.131525982035098 A62A-G123A 0.13098785066015 D73A-K101A 0.130960114615332 I53B-G123B 0.130385106206749 T60B-T96B 0.130035801536759 T60A-T96A 0.129878468178004 I53B-A117A 0.129613980928012 L102B-L102A 0.129609276066714 Y99B-A109A 0.129508348273669 V91B-L102B 0.128877086410847 D73B-G81B 0.128828497521149 D73B-K101B 0.128819905267711 V91A-L102A 0.128787127570733 A70A-S82A 0.128200800105883 I50B-Y132B 0.128080533308509 M121B-L118A 0.127783023028865 G120B-A95A 0.127697544652006 G98A-N110A 0.127350254772605 A65B-D73B 0.127016275455739 G123B-L122A 0.126728751311615 S90A-E116A 0.126701728380788 F64B-M94B 0.126635469246224 Q92B-A109A 0.12646555567705 D85B-P104B 0.126450637369762 I50A-Y132A 0.126418341784568 A65A-D73A 0.126410724642404 D85B-P107A 0.126233904079672 T96B-L115B 0.125957273871542 T96B-G120B 0.125419192840212 L56B-L115A 0.125250302776216 A117B-A117A 0.124908544107973 S90B-E116B 0.124897249229117 S90B-A109A 0.124891682016846 L58B-L124B 0.12412367141475 I131B-I131A 0.123996718372428 L52B-Y57B 0.123972209804523 D85A-P104A 0.123908334822928 G106A-T114A 0.122970633309152 L124B-S129A 0.122320081335037 G106B-T114B 0.122306642201915 L58A-L124A 0.121917396519884 S90B-V113A 0.121650040201352 G98B-T114B 0.121564279984953 Y99B-N110A 0.121542072599371 A62B-G123B 0.121176480320505 T96A-L115A 0.120981990364282 T96B-E116A 0.120873781160507 G98B-T96A 0.120771692478986 N61B-T114B 0.120723420744957 L58B-T114A 0.120202248453563 G72B-F83B 0.119652498713171 G72A-F83A 0.119403306935423 L102A-L112A 0.118037273353794 A117B-T96A 0.117736225919174 G98B-K101A 0.117291477777926 L52B-G123B 0.117164826775326 L66A-L108A 0.116892388116317 S90A-T111A 0.116837495465607 G55B-G120B 0.116745675229392 Y68B-A109B 0.116667618530677 S90B-T111B 0.116570074201127 L56B-A128B 0.116548030653274 I75B-T111B 0.116454721241506 L66B-L108B 0.116344348068124 N61A-T114A 0.116315849325035 V91A-M121A 0.116167168323722 M94B-L115A 0.116018300299572 G123B-A117A 0.1159773193744 L56A-A128A 0.11594280573343 V74A-K101A 0.115748894449091 I75A-T111A 0.11541006178183 L58B-L112A 0.114625698846509 N61B-N110A 0.114366235359911 L69A-S90A 0.114226285639755 T54B-L115A 0.114171956058835 V74B-K101B 0.114161460594269 L69B-S90B 0.113967323405615 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