[Wed Aug 24 18:55:04 2016] >Input file: TM3S8GATD.pdb >TM segments: A19-44_A68-90_A104-125_A143-164_A185-210_A223-247_A267-285_A290-314_A347-372_A374-401_A416-444_A465-494_A528-550_C9-30_B17-38 MAIDEN score = -165.6689 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 ----------- ---------------- W380A-H440A 10 F120A-F145A 5.58844190106851 M192A-L273A 1.75989478625356 I19C-A361A 1.67988319748429 M435A-N470A 1.43380801291713 V279A-H298A 1.42134667830112 P349A-T396A 1.38743407062076 H282A-N366A 1.31872721595987 N366A-H376A 1.24530872175973 W18B-I12C 1.23290475773481 W157A-F194A 1.14326996373313 K295A-F369A 1.11467059811202 L15C-I357A 1.11319452673935 W229A-F281A 1.11085770375195 I160A-W190A 1.08783922216846 W23C-I364A 1.08198371815722 P278A-V538A 1.07269881548936 Q42A-L69A 1.04446109641283 V375A-W380A 1.04186137700487 F120A-Y146A 1.00794500893517 W380A-L439A 1.00563525057414 F30C-V374A 0.996866652426485 L32A-N76A 0.982673515002973 V223A-F550A 0.952320278743955 I434A-F469A 0.946024051245637 P123A-A144A 0.945029525037239 V424A-A480A 0.942306015372615 W193A-I235A 0.94064101989526 F24A-W110A 0.940081778395373 G352A-L392A 0.933064316363741 L240A-Q388A 0.921215869831496 Y237A-F272A 0.918172247654219 W193A-F238A 0.917013321253643 F22C-V365A 0.890404649864577 P234A-S276A 0.888101170975991 V119A-F145A 0.885495202909833 L200A-L227A 0.883849436773049 W23C-A361A 0.87985569617398 F356A-L387A 0.878558134586189 L353A-L392A 0.872348907399996 A20A-W110A 0.871909794908851 F285A-K295A 0.871383833569199 V437A-F469A 0.859368703722744 L32A-L75A 0.857451401364292 L25A-F84A 0.850251924866889 V424A-F484A 0.84990174328398 P234A-P278A 0.849206055457941 L198A-W230A 0.83476067892673 V188A-F269A 0.83230289253392 L351A-W426A 0.827754824545374 L395A-W428A 0.810365643409205 L303A-I364A 0.810242852449242 Q82A-W239A 0.795055819574401 T226A-F281A 0.791198858321764 L44A-V471A 0.780430341808682 L270A-W530A 0.780361261413229 F272A-V305A 0.776349122223813 W380A-A442A 0.773204718088908 H282A-K295A 0.76244374295819 A348A-W426A 0.759984020113871 P40A-L478A 0.75667284940992 I290A-T545A 0.748548655898454 I30B-S368A 0.747197341342868 W428A-L477A 0.746311287655062 I434A-N470A 0.743435322671395 I30B-V300A 0.739295465583968 V188A-L273A 0.737719764283721 T18C-I357A 0.733899603906302 F281A-W294A 0.729681862998104 L105A-I162A 0.728945184763605 A196A-T231A 0.725376935986896 L427A-L477A 0.72375892217678 P278A-H298A 0.718781542929727 N366A-V375A 0.717674969023983 M296A-F369A 0.714401364681696 G199A-W230A 0.713279377313881 L32A-F80A 0.713250499185134 H282A-H298A 0.705906865472639 S197A-I235A 0.705683002645348 F30C-L371A 0.70534780355419 L240A-V393A 0.705017580739347 I290A-K295A 0.703907927936055 L25A-L83A 0.698609666817529 W23C-V365A 0.692920157937686 L75A-F80A 0.687222195743682 L117A-F152A 0.686950344496075 W428A-L481A 0.686654377113625 A348A-M398A 0.683514321996734 V375A-L444A 0.683148449518508 V538A-G543A 0.682744991991357 W294A-A541A 0.682312901695372 F24A-F84A 0.678977705682895 G438A-V468A 0.67715587246195 A442A-M467A 0.672439085020894 L117A-A149A 0.67050148469972 V347A-G399A 0.669569924213266 A196A-W230A 0.667734576398667 P40A-L477A 0.666649206444403 L275A-V305A 0.665518651870673 V118A-G148A 0.664763666849311 L387A-L392A 0.662738722558891 M106A-I162A 0.661618396098982 A85A-W239A 0.659116652796744 E203A-F228A 0.658415743876232 V279A-L301A 0.657588170259789 L26B-L303A 0.655157517146876 M185A-A245A 0.653520050518391 W229A-G280A 0.652560013815357 L273A-W530A 0.650815894572235 A20A-W107A 0.650539877464398 I12C-F314A 0.650144289776922 L200A-W229A 0.64818172388093 V11C-A313A 0.644739253449321 G383A-V437A 0.644102567483959 G352A-V393A 0.643686189109656 Y146A-L208A 0.64345537217665 D291A-H298A 0.635675510956789 V119A-A149A 0.634307006862592 L387A-M433A 0.633926847308719 I33B-T370A 0.633894172692922 W230A-V279A 0.630925495392985 W428A-V476A 0.630614626165678 A20A-M106A 0.629482591312447 S109A-S159A 0.629162563475952 P358A-L387A 0.628606278640197 M432A-A473A 0.626915562652045 W18B-F314A 0.625765089296639 L395A-V425A 0.623467016758031 T21A-A87A 0.622147952124847 L387A-A436A 0.618206469992676 F22C-A361A 0.617535526764718 I33B-F369A 0.61661693627029 A268A-V307A 0.613681454143709 V424A-L483A 0.611608063651 P278A-L301A 0.611351790718357 Y146A-A204A 0.609855167586788 G35A-V74A 0.607886276694831 L147A-L209A 0.600282365404752 G421A-F484A 0.596603854285991 P278A-L537A 0.596180004715107 W239A-V393A 0.593195825611021 A268A-M311A 0.588455053488943 W239A-V389A 0.587239025146344 M435A-F469A 0.587077163640834 L267A-P308A 0.586849852337943 V188A-L270A 0.585212217761006 G352A-F429A 0.584243214002456 P349A-G399A 0.58389731422647 P123A-F145A 0.582301689946366 V26C-L371A 0.581261303765176 P349A-L395A 0.580629734140901 M112A-F152A 0.577487079944454 F24A-Q86A 0.576928003235566 F24A-L83A 0.573552440607076 M185A-F269A 0.570397399556696 L195A-A535A 0.568637923844735 A43A-M435A 0.564136724902919 S391A-F429A 0.558477877545503 H282A-T302A 0.55794599989606 G199A-W229A 0.556800167168636 S22B-L310A 0.554704549586513 L71A-L124A 0.552038505871849 L27A-F80A 0.55180521699234 V34A-H72A 0.551557947412332 L9C-F314A 0.548595159412926 F120A-A149A 0.548286675194301 P382A-L439A 0.545082204824187 L274A-V533A 0.540679725288877 H384A-H440A 0.540154216337995 M435A-A473A 0.538540800981693 I160A-L191A 0.537290533293933 G438A-F469A 0.534592272468504 F29A-F80A 0.534492107751729 L202A-F207A 0.534488871859562 F41A-G474A 0.532485739800632 L274A-F531A 0.53079074895353 G73A-I78A 0.529174521283334 L395A-F429A 0.528786550834548 W230A-F281A 0.527448649818925 F272A-P308A 0.525970970335922 L439A-N470A 0.523650790472957 F189A-F269A 0.52315938068085 V223A-L549A 0.522989638299827 L275A-F304A 0.522816559324324 F30C-D372A 0.521527742690225 L202A-L227A 0.521380117359783 A85A-F238A 0.520745903254286 F189A-F238A 0.518363383453143 F84A-A397A 0.515654928102397 I12C-A313A 0.514697105994954 F207A-A224A 0.514228508932881 V163A-W190A 0.514109780898042 F189A-L273A 0.512775742628577 A379A-W441A 0.512241562078766 V381A-G443A 0.511531158141182 A196A-I235A 0.508624731927994 F285A-F369A 0.508490988474333 H282A-F369A 0.506133716868565 A121A-F145A 0.505629895315414 I33A-N76A 0.505625989421966 F385A-A390A 0.505344570647404 L273A-F531A 0.504143662772394 M432A-L477A 0.503670519452605 L15C-P358A 0.500257328186988 F114A-F152A 0.498654709204839 L275A-A534A 0.498277465743906 P349A-L392A 0.496899064914522 A113A-V151A 0.495619907511378 L351A-F429A 0.494349810097508 S299A-F369A 0.494200331736525 L105A-V158A 0.494153264646192 G359A-F385A 0.491528413257548 L37A-H72A 0.490451530811365 M192A-L274A 0.481464705881855 I434A-L472A 0.478753400708833 G399A-V425A 0.475592904799251 S36A-L481A 0.47281042737725 F189A-L241A 0.472686851769551 S22B-V307A 0.471424648095616 V365A-L371A 0.470246862042506 T277A-V538A 0.470151458298997 A85A-V90A 0.469850997092992 L275A-L301A 0.46651948429256 V425A-A480A 0.461320714098344 L164A-V187A 0.461244913422875 L427A-V476A 0.459382917551535 F356A-L392A 0.458128129820722 L200A-W230A 0.457401729290218 L124A-F145A 0.457301922821558 I19C-P358A 0.455833900684057 W380A-W441A 0.45376184018587 V11C-F314A 0.453126521371273 I19C-G362A 0.451608750883018 I19C-G360A 0.451171108659832 L439A-P466A 0.45041748667183 H384A-A436A 0.450371403861035 H386A-A436A 0.449516060141175 S391A-M432A 0.446487152448836 F38A-L69A 0.443681189564076 Q86A-T156A 0.442309586976136 L200A-F228A 0.438596761302337 I247A-P349A 0.437997873773945 V300A-A367A 0.436490841440293 S150A-A204A 0.434903940748471 L274A-W530A 0.433388699696168 A77A-V389A 0.428783222710375 F120A-L147A 0.428320588369434 I115A-F152A 0.423779257009138 A113A-V153A 0.420008997532038 F269A-P308A 0.418215294298937 L430A-V476A 0.414891785347046 V236A-V389A 0.410221143745861 L105A-S159A 0.407965140850112 V90A-A186A 0.407848918841673 L32A-V79A 0.406650786362098 V381A-H440A 0.406399611348191 I33A-L481A 0.406018372615448 L303A-S368A 0.405936685774389 Y23A-Q82A 0.404317160705675 H298A-A541A 0.403622214062612 E203A-V223A 0.403226449491505 N76A-H386A 0.402744972836381 M89A-W157A 0.400629981750056 P40A-A473A 0.400299996494493 L427A-V479A 0.399877794592318 W143A-L209A 0.397266650185427 W110A-S155A 0.397175158671147 V79A-L117A 0.397060951553561 Y23A-W110A 0.396810447293323 V279A-A541A 0.396582438646869 A268A-S309A 0.396249455307168 Q417A-V491A 0.395414457580966 L191A-F531A 0.394321043812581 A390A-M432A 0.393878633678977 I30B-M296A 0.39354549046651 V163A-A186A 0.391893260068323 I160A-F194A 0.389226450815165 L108A-V158A 0.38859353317362 H376A-H440A 0.387843297589641 W380A-V437A 0.386913449147999 V34A-L75A 0.385168045658986 S109A-T156A 0.384610009215867 G355A-Q388A 0.380229889037647 L19B-V307A 0.379514062592671 I33A-I485A 0.379349690625264 Q42A-G474A 0.379167552466426 A87A-A243A 0.378596213467689 H283A-M296A 0.376932263192723 G360A-Q388A 0.375613372643975 L198A-T231A 0.374352972941755 I19C-I364A 0.374014013387447 M106A-S159A 0.370637706853721 I88A-P242A 0.370543275696344 L303A-A367A 0.370301575311804 V223A-L546A 0.369908668659562 Q86A-P242A 0.367425439938622 Q42A-H72A 0.367420281968558 I115A-G148A 0.365980413256893 V381A-L439A 0.365475226235155 S150A-V201A 0.36546068232372 W380A-L444A 0.36497100110974 W229A-H283A 0.364102665435037 W380A-M467A 0.363624250772117 P382A-W441A 0.362900598741988 L37B-T370A 0.362440799104438 L30A-F80A 0.361993973609266 G280A-H298A 0.361885224672683 S368A-H376A 0.361059306063336 T378A-L444A 0.360147485133856 M112A-L154A 0.359451435608614 S197A-P278A 0.359083777682049 T231A-G280A 0.358833130271561 W190A-P234A 0.356625192323183 L275A-T302A 0.356151674996656 L273A-A534A 0.355464530909135 L271A-P308A 0.35500118684804 L240A-V389A 0.354509308094785 H233A-H283A 0.353956572273765 A245A-A397A 0.353650985994724 V425A-Y486A 0.35296563348543 F281A-S299A 0.352769590749095 L27A-L83A 0.352203382568224 Y237A-G363A 0.350754154283234 T70A-L124A 0.350255071086218 L274A-A534A 0.349625773079286 P358A-N366A 0.348348300932227 G355A-S391A 0.34830906832665 V375A-V381A 0.347851192484939 M106A-V158A 0.346814870550157 T226A-T545A 0.346667505663812 V119A-G148A 0.346658848757213 Y237A-G360A 0.346445446850714 A196A-S276A 0.345770675695209 M432A-H440A 0.345757632052949 L22A-A87A 0.345377209104389 G28A-Q82A 0.345360702381316 H376A-H384A 0.345354089458027 A87A-A186A 0.345322294737111 M435A-L472A 0.344768880755739 M192A-S276A 0.344709139999551 M398A-V425A 0.344103001593553 G28A-T81A 0.342853963997843 Y23A-V79A 0.342648701886887 A10C-A313A 0.341580914109541 G39A-H72A 0.340709640514187 M192A-T277A 0.339337169547208 L271A-V305A 0.338815376089121 P278A-K295A 0.33764725294387 A390A-L395A 0.337315034004622 N377A-P382A 0.336692318378546 L271A-V307A 0.336683707666045 L108A-S155A 0.336335676983853 V29C-D372A 0.336036840668061 H72A-H386A 0.334624358659943 W230A-T277A 0.333180047416635 V90A-M192A 0.332092124526794 G355A-L392A 0.328598049696859 Q82A-V153A 0.328211557550892 M112A-V151A 0.327015471245513 S276A-H282A 0.326547868440819 G35A-A390A 0.326413695562426 W230A-G280A 0.32637809113908 T226A-T231A 0.325166174278321 G39A-A480A 0.324962206281738 A436A-G474A 0.323848614062824 Q284A-Y542A 0.321940696613693 L195A-T277A 0.321804955501331 A361A-G383A 0.321708344878237 A77A-Q82A 0.321335724320448 Q82A-F238A 0.318481840241084 T81A-W239A 0.317977550560462 A268A-S276A 0.317683465561624 G383A-M435A 0.317044586846489 F189A-F272A 0.316795195052924 G35A-A121A 0.31595465741737 V119A-L147A 0.315908855291449 F29B-S368A 0.315103178536813 L191A-L273A 0.314408470372749 A367A-D372A 0.311605515090019 L23B-V307A 0.310790270203227 G399A-A423A 0.310542187154013 M296A-N366A 0.308733960674008 R418A-Y486A 0.308242367277826 A87A-S400A 0.30806465522327 G116A-V151A 0.307251108887831 S391A-W428A 0.305564112831885 P40A-N470A 0.305205567091837 A306A-G362A 0.304330287276859 L420A-G487A 0.304141174764675 V90A-V163A 0.303550240364162 F38A-L71A 0.303126717076122 G355A-G363A 0.302709863735227 R225A-Y542A 0.302502431990259 P382A-S391A 0.302480811964543 A243A-L392A 0.30242440179128 G355A-M433A 0.301017493821009 I297A-A541A 0.300133809012779 L271A-S276A 0.29982181533064 H283A-S368A 0.299738045568773 A348A-L422A 0.298865832653763 A306A-G359A 0.298708627388882 Q388A-M433A 0.298514015196149 L351A-L392A 0.298489482914845 Y237A-V307A 0.298348464535914 L274A-L537A 0.298216539369034 H298A-G543A 0.297355454836447 L19B-L310A 0.297169689855229 W23C-P358A 0.296684922987819 L420A-L483A 0.296060263567626 A77A-G232A 0.295297793864065 S299A-G363A 0.294767678062063 T36B-P292A 0.294364695884569 W157A-W193A 0.293803397955878 F22C-G362A 0.293771289184124 S309A-G359A 0.293148527162161 V424A-L481A 0.292243795992822 L430A-A473A 0.291987311137009 T226A-G280A 0.291532344455279 V90A-I162A 0.291457836837873 A85A-L241A 0.290976320301733 F285A-T370A 0.289857002958804 W380A-M433A 0.289064389259184 Q284A-H376A 0.288875543773463 A268A-T312A 0.288719062680208 L20C-A361A 0.288298995980955 A43A-A379A 0.288257293159004 A113A-L154A 0.288105320221313 G421A-L481A 0.288053829661095 T81A-P234A 0.287450209639081 A348A-L392A 0.287280198407458 V347A-L422A 0.286867851806244 L83A-A113A 0.285466953210981 A379A-L439A 0.285283185514828 L15C-A361A 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