[Mon Aug 29 17:40:31 2016] >Input file: TMA3JQP1M9G.pdb >TM segments: 435-446_ 535-570 MAIDEN score = -10.6240 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 ----------- ---------------- V560 -I566 0.933154818407576 K543 -V550 0.645536707030357 H555 -D570 0.573449715191147 A554 -V560 0.49661621308045 A554 -T559 0.456936232789813 V552 -D564 0.326817531933714 L536 -T559 0.317690467485195 M544 -N562 0.312219502805958 K535 -A563 0.309084570684337 S558 -K565 0.289676236760228 A540 -K565 0.288479132030403 D542 -V552 0.276210480425859 M437 -R546 0.274472568527792 A539 -G547 0.251569088283411 D542 -D564 0.248079450054543 V537 -D564 0.246536461330823 Q538 -T559 0.235735187904917 H555 -K565 0.233180717793634 D542 -G547 0.231044420263831 K535 -N562 0.223129499573406 L536 -N562 0.203268000322068 R556 -A563 0.195225648490926 V441 -H555 0.193838360696784 K535 -S558 0.178759629782485 R556 -D564 0.178495913993938 H555 -I567 0.177585906855523 L557 -K565 0.16790821919279 R556 -N562 0.164794239293005 A436 -V552 0.156772463648581 V550 -I566 0.15140529421995 D542 -Q548 0.151270223606984 L551 -N562 0.150821254647892 M544 -V552 0.149843265226913 A539 -I553 0.149735540209335 A442 -I553 0.149583443969443 M437 -Q443 0.143268403099015 F438 -Q548 0.141494604956537 V537 -D542 0.134824289147957 Q538 -A563 0.131949252806477 T549 -I566 0.128962878903329 R435 -R546 0.128085303930381 F438 -D444 0.128009625602266 L551 -V560 0.127385242831894 I553 -I567 0.126654565409705 L536 -L551 0.122061250295909 L551 -I561 0.121383386059808 M437 -D542 0.118961315221672 S439 -Q548 0.118608767826544 T549 -D564 0.118541990605701 Q538 -K543 0.117372346724594 V552 -S558 0.114329441089626 H555 -I561 0.114005776448052 R556 -I561 0.112615733086262 I541 -G547 0.109863113054891 A554 -K565 0.10861226138625 A539 -V560 0.108287179385226 G547 -A563 0.104169294517187 A539 -I561 0.101708521138271 I553 -K565 0.101494524554484 A540 -T559 0.101369682641556 H555 -I566 0.100782043494797 T549 -A563 0.100718134922497 T559 -V569 0.100532624556013 F438 -Q443 0.0997869905737487 M437 -G547 0.0995874812492969 F438 -T445 0.0968011661461139 Q538 -Q548 0.0966233494055286 S558 -D564 0.0960875045452654 S439 -A554 0.0956462085319965 I541 -L551 0.0933992471444073 V537 -S558 0.0933988518899556 H555 -V560 0.0921889778393608 V441 -T559 0.0908531544792335 A539 -T549 0.0906702247319724 L557 -D564 0.0886206478048721 A554 -I561 0.0882095176354607 K535 -V552 0.0874713517321384 T549 -N562 0.0870343715405486 R556 -V568 0.0850466101525864 A539 -L551 0.0824081545836979 M544 -A563 0.0823963926174762 Q538 -V550 0.082046671116198 H555 -A563 0.0820451441538133 S439 -T549 0.080868670293416 L557 -N562 0.0803127202447325 L551 -V569 0.0793515437037207 V441 -V550 0.0786596051611479 A540 -I566 0.0781853920010326 R435 -T549 0.0768451965359412 V560 -I567 0.0743312278104629 V441 -L551 0.0742329577123359 L536 -V552 0.0730624141039611 V552 -N562 0.0715039801429571 L536 -D564 0.0698717551132217 L536 -A554 0.0694463279657151 S439 -D542 0.068403601742371 A442 -H555 0.0672301149790799 R556 -V569 0.0656717968728471 A436 -I553 0.0627650383161376 A442 -A554 0.0610242063346971 L551 -L557 0.0608890561053332 T549 -K565 0.0572714176109383 F438 -L446 0.0524053496037542 I561 -V568 0.0508000451290869 V537 -I561 0.0503275525183815 F438 -A554 0.0481529879088765 I440 -H555 0.0456622164922889 M544 -L551 0.0455985064000171 V552 -T559 0.0451246607655924 V537 -G547 0.0414100040607144 K543 -T559 0.0413485927524925 F438 -K543 0.0408451660637832 A540 -I553 0.0402235919795189 I541 -T549 0.0397723414883853 I440 -V550 0.0386325568512227 Q443 -V552 0.0385775642887118 V552 -V560 0.038390709114303 A540 -V552 0.0376853479413386 M544 -T549 0.0366320558953399 A554 -N562 0.0363268272518242 R435 -V550 0.0362996475497163 H555 -V568 0.0359796057326465 K543 -N562 0.0358238024906843 Q538 -T549 0.0352510316017973 V550 -D564 0.0340830861438199 K543 -T549 0.0338815832517212 V550 -I567 0.032980522623169 K543 -V552 0.0319780208527325 A554 -D570 0.0311960608213262 L536 -L557 0.0302805600112013 M437 -A539 0.0286829839865534 A540 -V560 0.0270614715631829 S439 -L446 0.0269252240889133 T549 -I567 0.0259132190641971 Q538 -V552 0.0233611962929312 T559 -V568 0.0230216353271704 S558 -I566 0.0191672232614479 D542 -A563 0.0164151751642891 A539 -Q548 0.0139020614027041 I541 -R546 0.01382217192248 T559 -K565 0.0121149591401908 L536 -H555 0.0117616533117464 G547 -V552 0.0109602975727157 A436 -G547 0.00946752833485509 R556 -I567 0.00880443169457212 R556 -D570 0.00739634978395021 L536 -I553 0.00708202708837469 F438 -T549 0.00707160693253828 I541 -N562 0.00484547594974627 A540 -I561 0.00297790725454926 I440 -A554 0.00295958396433189 L536 -T549 -0.000700428964139466 V550 -T559 -0.0045812371081273 Q538 -D564 -0.00468962568006503 Q548 -A563 -0.00745731732979671 I553 -N562 -0.00803571230184996 S439 -A539 -0.00842401775775414 M437 -T445 -0.0110227055194227 A442 -V552 -0.0120577918074625 I541 -V552 -0.0124910167928221 I541 -T559 -0.0136934244673337 V552 -I561 -0.0139410884943549 L557 -V569 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-0.0574523674068623 A540 -N562 -0.0581102001756459 I553 -V568 -0.0590670642043065 V560 -K565 -0.0617775072500386 M437 -V550 -0.0623907660793446 A539 -V550 -0.0625008115577179 A540 -L551 -0.0658017942576654 I561 -I567 -0.0661964700874682 M544 -K565 -0.06627501014091 Q538 -R546 -0.0665250407475148 S439 -V550 -0.0666391379494282 R435 -L551 -0.0694353683795379 K535 -K543 -0.0700914154730663 K535 -A540 -0.0706431490886432 N562 -I567 -0.0739286769546633 V552 -I566 -0.0748916886417099 L551 -D564 -0.0763699882817619 A540 -Q548 -0.0765692082525069 Q538 -N562 -0.0776138906218349 V550 -N562 -0.0786377692667579 Q538 -I561 -0.0812193325954729 K543 -D564 -0.0815145158622133 A554 -I566 -0.0831543376148396 V550 -V560 -0.0842099597267052 Q443 -A554 -0.0843614708406761 Q538 -G547 -0.0845719278036947 M437 -I553 -0.0859037487156549 I553 -D570 -0.0859189423935782 L557 -I567 -0.0867412500234298 S439 -D444 -0.0869426354275937 S558 -I567 -0.0871646338962542 A554 -A563 -0.0897207402633491 Q443 -I553 -0.0899490233861933 S439 -K543 -0.0913836687990845 H555 -V569 -0.0920340613512414 Q548 -D564 -0.0931274439134311 K535 -I541 -0.0955351732697869 A539 -N562 -0.096452678135329 V441 -L446 -0.0966758093201641 V560 -V569 -0.0971018221772936 V552 -V569 -0.0979487791533736 I553 -I566 -0.0979541228849889 I541 -D564 -0.0982542465591764 V552 -V568 -0.0993322449634459 K535 -V550 -0.100738801837199 I561 -I566 -0.103018495974159 F438 -I553 -0.104043496160497 N562 -V568 -0.104049627915215 G547 -D564 -0.105229931526866 H555 -N562 -0.107363635759855 A540 -S558 -0.108538203718585 K535 -M544 -0.108685237656864 I440 -L551 -0.108704372689776 M437 -D444 -0.108867428473973 R435 -G547 -0.10912950594468 M544 -D564 -0.112439794088106 K543 -I553 -0.114588896578037 K535 -I553 -0.114588896578037 R546 -L551 -0.116393967115502 A540 -D564 -0.118861717026343 V552 -A563 -0.119612355511318 L551 -V568 -0.120172534919158 L551 -R556 -0.122546993132529 K535 -I561 -0.124089719011243 A539 -S558 -0.127432585876647 A436 -R546 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-0.188442457686415 D542 -T549 -0.190140778790562 A539 -R546 -0.193057929154241 S558 -A563 -0.194520354279474 L536 -D542 -0.19583799859197 Q548 -K565 -0.196507030142727 V552 -K565 -0.196978745013747 A436 -Q548 -0.203838152541515 I440 -T445 -0.20579911256983 L551 -I566 -0.206126558086298 A436 -T549 -0.206965877156572 I440 -I553 -0.209990312632188 V552 -L557 -0.210084898010404 S439 -L551 -0.214184369142761 L536 -K543 -0.21584715844664 V441 -R556 -0.21607953555146 A539 -M544 -0.220071467147203 L551 -K565 -0.223691253505437 T559 -I566 -0.22451224850211 T559 -D564 -0.224633657320496 A436 -L551 -0.236358893898329 I553 -I561 -0.237400726164363 K535 -T559 -0.23768685993675 V537 -M544 -0.247819357573882 M544 -V550 -0.250711693773374 M437 -T549 -0.250913372957776 I553 -V569 -0.25260825399597 I541 -Q548 -0.252655448205092 M437 -Q548 -0.256233740846769 V537 -T559 -0.258372626396351 A539 -G545 -0.25965467166494 S439 -T445 -0.26363476967672 V441 -V552 -0.265600149165066 F438 -L551 -0.266150173449681 K543 -A563 -0.289860472259478 F438 -V550 -0.289990964020154 A540 -A563 -0.293934293873183 D542 -V550 -0.295780869899075 V560 -V568 -0.300456236857075 M437 -L551 -0.30400992319215 L536 -S558 -0.313283481653054 S439 -V552 -0.316365353994926 Q538 -M544 -0.324236626277604 A539 -V552 -0.336209967893434 I553 -A563 -0.336997998316598 L557 -I566 -0.348984747441989 K543 -Q548 -0.350360119914876 A554 -V569 -0.350808625722579 A554 -V568 -0.352059713968057 A540 -V550 -0.352572636234243 V441 -I553 -0.360388080356755 A436 -V550 -0.365197078803939 V441 -A554 -0.367116526792321 L551 -I567 -0.373461330392357 L536 -I541 -0.386071638000611 L536 -I561 -0.394952312579743 A540 -G545 -0.426942262050742 I553 -V560 -0.472286227095917