[Wed Aug 24 18:01:44 2016] >Input file: TM4RJWATD.pdb >TM segments: A32-39_A56-66_A74-86_A90-99_A106-134_A148-156_A183-191_A274-280_A335-341_A380-386 MAIDEN score = -11.4427 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 ----------- ---------------- F62A-D80A 10 R112A-M150A 4.86514862415373 V106A-S156A 1.57180541770529 F79A-F93A 1.35809149645275 L65A-I77A 1.28606129599406 I77A-A96A 1.25543254799932 I63A-F79A 1.21344252548732 R34A-I63A 0.95842035600847 F62A-F79A 0.939908665342337 R60A-H83A 0.866165757120521 T129A-F338A 0.825092608265091 I77A-D94A 0.809704477535458 E95A-D114A 0.777061122802166 V128A-R133A 0.775865517648851 F62A-L81A 0.772473755652628 L119A-E279A 0.758741064601341 A130A-R340A 0.722235668148462 L108A-V154A 0.681973198148356 V98A-F110A 0.677829237026623 L81A-Y92A 0.666866759452615 P115A-Q153A 0.635396619056582 L108A-A152A 0.631049956745009 A96A-F113A 0.623332312997759 E64A-F79A 0.622115520785138 R59A-S82A 0.614485745994333 F113A-G151A 0.613580316662572 G118A-R187A 0.575157966247549 T99A-F110A 0.556648572992845 F93A-D148A 0.55480839772248 F79A-E95A 0.536491221661664 A37A-R60A 0.536201894357465 A130A-F338A 0.521544793862371 F117A-F186A 0.50999176877994 F62A-D94A 0.493936616378446 F117A-A122A 0.489536686186381 F58A-S82A 0.484688887326782 L35A-R59A 0.47641065540916 F113A-D148A 0.468865560694554 I63A-L81A 0.458664212692173 L35A-F62A 0.455709694049713 G33A-F62A 0.445095947628449 P131A-A385A 0.444301755600736 R60A-L81A 0.444151852347155 E120A-P131A 0.442275108352178 T85A-F93A 0.436317496134546 N84A-Y92A 0.428630848461252 Y75A-A96A 0.4237553217605 G86A-F93A 0.420562100058499 I77A-F93A 0.411434749278666 L35A-F58A 0.406937910084994 L65A-Y75A 0.39688920891494 Y57A-S82A 0.393798563854053 G111A-M150A 0.387110177572678 Y39A-A56A 0.377315975717584 K109A-P115A 0.375731063560864 S97A-F113A 0.36728403981521 S124A-P131A 0.361986637643074 F93A-R112A 0.3618557263584 F117A-N185A 0.36164389659147 E95A-G151A 0.342463220522193 F62A-S82A 0.339743320465265 G33A-I63A 0.339271290321149 I77A-R112A 0.336708601015461 Y92A-D148A 0.336210890724255 G111A-A152A 0.335711128841934 S97A-P115A 0.316621309638275 K121A-Q277A 0.315195939729316 L35A-A61A 0.314151282356909 Y57A-P131A 0.303968534388931 P131A-K381A 0.302207980492478 S97A-F110A 0.301493059746769 P131A-Y341A 0.298437551270482 T123A-P131A 0.296151862551974 P115A-T123A 0.29375169842268 V106A-V154A 0.291442089606128 G66A-K74A 0.290466975327075 R133A-Y339A 0.284535049337075 Q36A-Y57A 0.279095578183109 A61A-S125A 0.278635004017024 A61A-F79A 0.274061259912182 T123A-E132A 0.271229831379071 G33A-S125A 0.269506009825794 E95A-P115A 0.265961427105873 D116A-F186A 0.263802111121463 D116A-V189A 0.263422298917564 V98A-D114A 0.262328097033481 A37A-A56A 0.257358091603359 Q36A-E132A 0.257285263514886 L35A-S82A 0.255632888835726 S97A-G149A 0.253050744839655 D114A-V154A 0.248734370249798 R60A-T85A 0.248516439643073 G66A-I77A 0.247828371906345 Q76A-Q153A 0.2477185752465 Y39A-R60A 0.245948560417904 L108A-S156A 0.245663512046423 E132A-F338A 0.243790309460703 D80A-D114A 0.240978934187382 F117A-Q183A 0.238462498359506 F117A-Q153A 0.237963798037869 R34A-F62A 0.237494130946406 G32A-I63A 0.235738821857045 A61A-L81A 0.231881152862862 D80A-G86A 0.230693800818149 G91A-D148A 0.229892599640975 L108A-P115A 0.22932287944207 D94A-K121A 0.228247076291343 S82A-S125A 0.226377657109374 D80A-D94A 0.224101074791905 K126A-P131A 0.216883792708645 P115A-S156A 0.207497699833889 D94A-K126A 0.20702242665663 I77A-G91A 0.206665045865272 V128A-S383A 0.204730603306344 T123A-V128A 0.202970188882048 L108A-M150A 0.202144534089706 K121A-V128A 0.200490784653335 V128A-R340A 0.200391437176067 A122A-E279A 0.199409775717155 H83A-N90A 0.197920569709208 P131A-E336A 0.196602985171362 A130A-A385A 0.195542203289423 F113A-A122A 0.195474285310132 G111A-D148A 0.195093395608583 G66A-F79A 0.194768148319287 L119A-V189A 0.193782387018091 R60A-K126A 0.193009988746332 G86A-D148A 0.192842003426225 Y39A-Y57A 0.192413543281964 D94A-D116A 0.191528869367815 A37A-Y57A 0.191036774317878 R34A-N84A 0.191028588777496 F79A-Y92A 0.190938671113202 F58A-E132A 0.190032265362704 R59A-E132A 0.189918333899544 P115A-E120A 0.188754509590147 R59A-H83A 0.187243504357549 D116A-N155A 0.187156622777805 K109A-N155A 0.186817106823435 H83A-E95A 0.186408010318998 K74A-E95A 0.185721816759028 S82A-N90A 0.18487932302922 F117A-R187A 0.183870972262878 G91A-G111A 0.183152749097514 T85A-F113A 0.181610106730934 D38A-K126A 0.180503195541096 A96A-G111A 0.180377575517127 E132A-Y339A 0.179384551196693 D116A-R133A 0.17912907005232 D38A-R133A 0.17897792833894 N78A-G111A 0.178566112834404 K74A-N107A 0.178420002415787 Y75A-N107A 0.178167511228607 K109A-G151A 0.178142484258307 F62A-Q76A 0.178061863487435 P115A-S125A 0.177431958219094 E64A-K126A 0.177390195604226 D38A-A61A 0.177302954394661 E132A-Y341A 0.177038341271253 D80A-K126A 0.176990186867576 R34A-W127A 0.176955156361645 D114A-R133A 0.176201439001273 Y339A-S383A 0.17519338451748 D38A-A385A 0.17341021722058 T123A-T129A 0.172251010117909 N90A-G111A 0.171039813604871 N90A-F113A 0.170492841079565 F113A-K121A 0.169149499960075 P115A-K121A 0.167840466147505 R60A-P131A 0.167499985357654 L35A-P131A 0.16688454019605 G118A-A276A 0.164589226007133 D114A-T123A 0.16411517525469 W127A-W335A 0.162601168836716 D94A-K109A 0.158370143739201 S125A-K381A 0.157831137068258 F110A-M150A 0.156192045742486 E64A-Y92A 0.154977579271243 Y39A-E132A 0.154969514652572 R112A-D148A 0.154430571016851 D80A-A96A 0.154054787165613 F58A-S125A 0.153571218761604 N78A-M150A 0.15311248934858 K74A-G111A 0.152280914507949 I77A-M150A 0.151352651434782 N90A-D114A 0.151070166863644 T129A-W335A 0.151056559593281 F117A-N134A 0.149520115630324 N134A-F338A 0.148675072335844 I63A-D80A 0.14860265838344 S275A-R340A 0.148347032056734 N78A-N90A 0.148158540419766 F113A-F184A 0.148130443266947 D114A-A152A 0.148084783630092 N107A-Q153A 0.148073200921044 Y39A-A385A 0.147908306477285 G33A-Q76A 0.146039723811586 G32A-L65A 0.145947049547161 Q36A-A384A 0.14588598395658 N84A-D114A 0.145574046723435 M150A-N185A 0.145122640534709 R133A-A385A 0.14487003908979 R112A-Q183A 0.14447487178976 W127A-R133A 0.143591759265321 Y57A-H83A 0.142442945518478 T85A-G149A 0.141736028088398 R133A-A278A 0.141564174211438 E120A-A278A 0.140692811305926 D116A-A152A 0.140081583587743 K109A-V154A 0.139803713684698 G118A-S124A 0.139417959835284 R59A-A130A 0.138918992362543 F58A-T85A 0.137811880206654 Q36A-T85A 0.136372087486656 V128A-F338A 0.136181795142898 F117A-S124A 0.13466653290657 R59A-F79A 0.133907279724787 Q153A-N185A 0.133546720492489 A56A-A61A 0.13341074594886 Q36A-K126A 0.132949356697898 N90A-S97A 0.132005618222687 P115A-G149A 0.130243747396702 R133A-F338A 0.129698374361362 W127A-I382A 0.129137683464264 T123A-A278A 0.128752179310439 Q36A-I382A 0.128690515436977 Q36A-A130A 0.128057434718032 D114A-N185A 0.127640155973806 V337A-K381A 0.126680786378792 D38A-S82A 0.125087115535594 F58A-F79A 0.123576681923034 V128A-S275A 0.123499432459375 G66A-Q76A 0.123057921227914 F62A-G86A 0.122773505213954 T99A-F113A 0.122689354909365 S125A-P131A 0.122269784602434 G86A-D114A 0.121948263976614 A37A-F62A 0.121862978874039 Q76A-S124A 0.121608549774738 D114A-S124A 0.121279037248315 F79A-A96A 0.120479885082455 D80A-D148A 0.119650658855844 V98A-R112A 0.119582062041561 D116A-S124A 0.1185712691935 Q153A-R187A 0.118067339226426 E64A-K74A 0.11801666724697 V154A-V189A 0.117501381463915 F117A-R133A 0.116874752638365 L35A-K126A 0.115720517113584 Y341A-A385A 0.115409202592742 Y75A-M150A 0.114771838859371 A122A-A278A 0.114272056416652 Y339A-Y386A 0.112965291818848 A276A-Y341A 0.112682384076671 A122A-N155A 0.112655218598449 A130A-Y339A 0.112636486594569 T99A-R112A 0.112634462511624 F113A-M150A 0.111578349291759 A61A-I77A 0.111564262583491 T129A-A278A 0.111270409490961 A278A-Y339A 0.110008579425106 D94A-S124A 0.109914122578188 S125A-S383A 0.109330571184251 R60A-S124A 0.109282167562585 K121A-T129A 0.108920912083434 E132A-Y386A 0.108312238697907 S97A-V154A 0.107365342175717 L65A-N78A 0.107175797249817 D114A-S125A 0.106705059645588 A96A-P115A 0.106560449843331 G33A-R59A 0.106147552595095 L119A-Q277A 0.105872186442397 D116A-M150A 0.105648105419614 A37A-S125A 0.105005228584925 V128A-A385A 0.104545367513547 S156A-A191A 0.103818490466105 L65A-L81A 0.103597510623218 R34A-R59A 0.103046122641881 G33A-F58A 0.102830406713149 G149A-F184A 0.102600066256218 W127A-S383A 0.102414295337644 I63A-G91A 0.102222867230491 G32A-A61A 0.101934243092909 E95A-G149A 0.101264864572531 R59A-G86A 0.101157433692682 A56A-S383A 0.100453567640626 G151A-F186A 0.100135379680593 I77A-E95A 0.0997635380893986 G86A-R112A 0.099392743255633 Y75A-F93A 0.09926023347567 T99A-S156A 0.0989836238637634 R59A-K126A 0.0988601296733957 N84A-D94A 0.0978131898760171 T85A-R112A 0.0974427674303648 A122A-N185A 0.0972722434907487 N84A-N90A 0.096625061574075 R34A-K381A 0.0958896943873944 G32A-Y75A 0.095785778790642 S124A-K381A 0.0956308320172994 F190A-A278A 0.095455868002392 A191A-Q277A 0.0950299168269089 L119A-S125A 0.0941079946635104 D116A-K121A 0.0930011457015191 S97A-N107A 0.0925097280278533 R133A-R340A 0.0919960833421513 F117A-Q277A 0.0908284913524593 L81A-F93A 0.0903535885660585 K121A-E132A 0.0903264085668942 T99A-G151A 0.0900801524460351 I63A-T85A 0.0894358053868405 I63A-H83A 0.0892633653025325 E64A-S82A 0.0889438806516862 A61A-G86A 0.0882815982511524 N78A-S125A 0.0878635202319975 P131A-S383A 0.0875766031618239 F117A-G188A 0.0870089447017253 F113A-S124A 0.0867553881173606 G118A-F190A 0.086066496922045 S82A-G91A 0.0856973821506317 Y57A-T85A 0.085275500604047 T129A-A384A 0.0850368338566891 T123A-A130A 0.0849140386014025 L108A-N155A 0.0847357781706366 G32A-K126A 0.0846738839394529 F117A-A152A 0.0846088325164711 R34A-D94A 0.0841712527189329 T129A-A276A 0.0841228642515892 S124A-A130A 0.0838208386970418 I63A-I77A 0.0833489218085255 A130A-S275A 0.08263465751428 A130A-Q277A 0.0824049329784955 G32A-R60A 0.0821950078236806 G32A-S124A 0.0810133649602283 G32A-A96A 0.0807196344505754 E64A-H83A 0.0804470737237453 Q36A-H83A 0.0800881051522651 E120A-W127A 0.0795122928179868 R112A-Q153A 0.0791929863429917 W127A-V337A 0.0789057496735102 P115A-D148A 0.0778379901373936 D94A-F110A 0.077539938843597 A37A-V380A 0.076914633323625 R34A-Q76A 0.0761817819065813 F62A-H83A 0.0752933242206075 R34A-S124A 0.0752532238891614 G86A-S97A 0.0748399632402679 R34A-S82A 0.07467213691519 Q277A-F338A 0.0746050593831127 D94A-P115A 0.0743665876678943 S124A-R133A 0.0740667558208253 Q153A-F186A 0.0737790292340179 S156A-R187A 0.0734792743071224 H83A-D94A 0.0733749735157305 F113A-N155A 0.0720565488170362 G32A-V380A 0.0719278255535569 D94A-F113A 0.0718512676193459 E120A-Y280A 0.0707800575665468 K126A-S383A 0.0701837776787451 Y57A-S383A 0.0700234859514284 N84A-F113A 0.07002298599574 F113A-Q153A 0.0699168670086534 D116A-G188A 0.06967079463735 G32A-S125A 0.0692740961665543 L35A-L65A 0.0692389575904881 R59A-Y92A 0.0690541764662305 S125A-N134A 0.0686887588665757 Y92A-M150A 0.0685682162635875 A61A-P131A 0.0681159064337153 Q36A-R133A 0.0676315243241994 W335A-A384A 0.0675212862740615 N78A-G91A 0.0673074491125281 N78A-G86A 0.0671439804468892 V106A-A152A 0.0664199327253376 T129A-Y386A 0.0664191920092203 R59A-A385A 0.0648570083876329 R133A-A384A 0.0639022083850129 G118A-N134A 0.0615713143500731 F58A-I382A 0.0615277529474625 N78A-N84A 0.0613771896486033 F93A-P115A 0.061091618718159 L65A-E95A 0.0607118113590568 F338A-I382A 0.0606322766412815 A130A-A276A 0.0605169674984449 K121A-K126A 0.0601503285185743 G33A-N84A 0.0601422076659264 R133A-Q277A 0.0597533138029784 G86A-A96A 0.0596704499722467 R34A-T85A 0.0593486343468956 F117A-A278A 0.0590883162010054 S156A-N185A 0.0587541520811996 A130A-A278A 0.0587465602714412 G91A-M150A 0.0584587729446922 G118A-E279A 0.0579099162241922 D116A-S156A 0.0576804873879131 L81A-E95A 0.0571315024367389 N90A-A96A 0.0570709073157016 A37A-A384A 0.0570077674774563 S97A-D148A 0.0570066241361493 G111A-N155A 0.0568650437471533 G151A-N185A 0.0566129233595734 D80A-T85A 0.0558797018115165 G118A-N155A 0.0556582017181708 S275A-E336A 0.0552574395081806 D80A-S125A 0.0550375606912685 G86A-D94A 0.054861424487715 V128A-I382A 0.0545831284699725 T123A-S275A 0.0544299418999268 A122A-F190A 0.054316821955009 E95A-F113A 0.0539753260491997 G33A-E95A 0.0531633012526515 R34A-V128A 0.05195886902632 Q36A-A56A 0.0508364022280904 L35A-N78A 0.0493602402813469 A56A-S82A 0.0491094523857258 A56A-N84A 0.0486368254286758 A56A-H83A 0.0483107050768545 N155A-V189A 0.0483102361039509 L35A-A56A 0.0480978059154324 V189A-Q277A 0.0480891121172951 D80A-S97A 0.0469680104593588 F117A-Y280A 0.046518885420924 I77A-H83A 0.0454213048945696 D38A-V380A 0.0453809395853746 E64A-D80A 0.0449665629618048 R59A-N84A 0.0441961833171387 R60A-A130A 0.0431602847906758 G33A-S82A 0.0431354654054532 G86A-Y92A 0.0430015536621795 A96A-A152A 0.0419016286996863 G32A-E95A 0.041871960971128 I63A-Y75A 0.0416653651513341 Q76A-D114A 0.041637454171044 E120A-Y341A 0.0415977481711902 F58A-K126A 0.0413076293416466 D116A-R187A 0.0411893303545903 F62A-W127A 0.041163890806117 A152A-Q183A 0.0411162924443012 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