[Mon Aug 29 16:50:12 2016] >Input file: TMC9A401M3G.pdb >TM segments: 46-94_ 151-175_ 253-300_ 407-445_ 469-483_ 487-496_ 501-513 MAIDEN score = -36.8408 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 ----------- ---------------- Q411 -S492 3.41758274583975 A442 -V507 1.90972645522617 E421 -I435 1.25714864486087 I408 -L489 1.23717225895146 I408 -L487 1.20190643059515 L415 -K471 1.18875340794885 L476 -Q511 1.07744264508725 I408 -V488 1.04216790076175 Q268 -I273 0.988614602422928 L410 -D490 0.973469732559348 I424 -R478 0.959156607365102 Q411 -L489 0.861854169824301 R473 -V507 0.8586859509628 L410 -L489 0.851337743040059 V409 -V488 0.817141767825092 I408 -D490 0.809366612388991 L151 -I272 0.807802767116292 D152 -I272 0.791268361514729 Q443 -L504 0.78956166283702 Q470 -L504 0.758747711019279 V414 -K471 0.719785003052274 V262 -G270 0.679346951271119 F426 -A481 0.670037379544281 V409 -D491 0.667517923271971 M76 -A81 0.664633847951988 F426 -A479 0.642545578162383 A442 -L476 0.64063462348448 D83 -H90 0.62731366180878 F416 -N423 0.619562296853484 V409 -L489 0.619268655936974 R75 -V80 0.615800972009676 K47 -I52 0.599676838962988 I408 -A479 0.590021665786244 Y260 -G265 0.5804117725136 I424 -F430 0.579611240968235 I435 -S477 0.579130249692613 I420 -R478 0.577893908591379 A438 -R478 0.569531901880335 R82 -I88 0.549654221335047 I65 -N70 0.530569135993364 R441 -V507 0.512568377613443 I255 -R261 0.510309764654723 V409 -L476 0.497018840268342 A493 -R505 0.491831371536232 K412 -A495 0.488284071062706 K422 -K432 0.480595013022781 F416 -D425 0.469824217623821 L155 -S258 0.467904164150196 A439 -V474 0.464564179451537 R291 -V296 0.458624094385296 K412 -Q470 0.453849916427432 V409 -A479 0.452338811412438 V414 -Q472 0.444501052762185 L415 -N423 0.425017240011792 Q443 -K471 0.418962146403842 N423 -K471 0.418568769506789 Q434 -K445 0.409604172840659 S258 -I273 0.403190945544139 Q472 -L504 0.402920067657381 F293 -K298 0.398888710542922 R441 -L480 0.38985054398143 G427 -R478 0.389452936343362 I281 -M286 0.38798932758361 A442 -V474 0.386069079803545 V409 -L475 0.384453614607828 V409 -L487 0.384222768230301 F416 -K422 0.384134941936417 R473 -L508 0.379529940678091 L480 -Q511 0.378181228241421 I255 -I273 0.378166038415341 Q411 -D490 0.375918598285306 V409 -Q472 0.375027426510051 L410 -D491 0.373401633780838 L476 -V507 0.371479520784042 F430 -I435 0.359687589210461 K412 -Q472 0.35859588947905 L410 -Q472 0.354329343891733 D413 -L475 0.351375623858007 A439 -K503 0.351328054046316 L159 -T280 0.350789632623059 A440 -K503 0.347655371586085 A493 -L504 0.346451161210887 N423 -K432 0.34510920734609 V262 -P269 0.343971308758328 I424 -R429 0.342106796143119 L155 -L276 0.338095486188259 L476 -L508 0.335644267008052 K422 -R478 0.331496110851758 S494 -K503 0.331284491021473 R291 -K298 0.331155311464059 V414 -L475 0.32414051694394 D413 -R478 0.323665110371945 K471 -A495 0.323510747129704 A442 -L508 0.321006148072723 A444 -S477 0.317123662189618 D152 -V271 0.316847565759404 A444 -Q470 0.316650350432532 S492 -A502 0.314896848367701 T156 -L276 0.311298238337282 A442 -Q506 0.308717605500398 L159 -V254 0.297735821903569 A442 -L480 0.296780024017953 I408 -R478 0.295717457305088 P153 -T267 0.294149548381664 G270 -Y278 0.292697767560359 A442 -L504 0.29089518757353 V67 -M76 0.289804081601853 L256 -R261 0.285818592923661 K445 -R473 0.285388267185736 V409 -S492 0.283497698391415 N48 -F53 0.283167466103336 L415 -L475 0.280291880677882 S258 -A264 0.278924609920371 N423 -G482 0.276891585133522 D491 -R505 0.270691908721759 N423 -E483 0.270032597917415 V58 -S63 0.269936726859647 R441 -K509 0.269472631193898 S78 -G86 0.26941186964675 K503 -Q511 0.26913426563134 Q443 -K509 0.266649957042882 Q434 -A481 0.266421279938737 K471 -R478 0.264287912944665 V257 -V262 0.264208770380466 E437 -A442 0.263088466301053 D152 -V158 0.262450998778458 V154 -Y260 0.258064514982387 A259 -A274 0.258061017934012 R473 -A502 0.255643182613194 L155 -V254 0.255176368792138 E421 -R478 0.255066598047783 G427 -S477 0.253856685730121 D152 -V257 0.251433510920391 A442 -Q510 0.250642036537253 S492 -Q506 0.250639255140008 K503 -K509 0.249206362745307 I435 -R441 0.249000918685194 L151 -G270 0.248962361258842 L504 -K509 0.248954921255305 D413 -D425 0.247961327717442 D418 -V474 0.246668613927667 D413 -D418 0.246218383441786 Q434 -E483 0.245750218064878 E437 -Q511 0.244267199798862 D152 -V160 0.243833693092406 Q472 -Q510 0.242406529004292 L155 -T280 0.242064938307931 D152 -V254 0.241330140580499 P153 -S258 0.240296229186033 F426 -G482 0.238415772127958 E437 -Q510 0.236674244627881 V158 -V254 0.23215622785035 K445 -R478 0.231793277032167 L410 -V488 0.229498047934888 T156 -L283 0.228250805550904 Q470 -S492 0.228113992600544 Q411 -A495 0.228001575036366 G469 -Q506 0.227491247417793 D425 -K432 0.2261728455353 G469 -L504 0.223513299073849 K412 -D501 0.223378673907016 R441 -S477 0.222573357305278 D490 -D501 0.220847751223506 A438 -Q443 0.220405970876351 E483 -Q510 0.218832895389356 N263 -Q268 0.218241481624638 S431 -A439 0.21818909759863 I435 -A481 0.218160186038537 G427 -A481 0.215712680325288 V254 -I272 0.21440179616605 V68 -M76 0.21428768881263 P164 -L283 0.21419603646355 V160 -Y278 0.211812252143243 F430 -E483 0.209517459213063 N423 -E437 0.208192974776664 S492 -V507 0.20727396394476 Q443 -K503 0.204863087823686 D413 -A493 0.203992634751422 G469 -V507 0.203215453536616 G161 -L253 0.203153128339393 I255 -T280 0.203097419939663 D413 -A495 0.200954077969623 F426 -Q434 0.20056546127513 L167 -N284 0.199564988892987 I292 -S297 0.199264611342423 N423 -R473 0.199193699768262 D418 -K471 0.198722910456579 R505 -Q510 0.198506453728853 N284 -R291 0.19827062155766 N423 -R429 0.198053377680165 A438 -L480 0.197673062761154 I282 -T290 0.197408107960804 V409 -L508 0.195861888982815 N74 -R82 0.195749897630754 S477 -K503 0.195170028997715 R261 -Q268 0.193925230497253 S477 -Q506 0.191980573848402 Y278 -L283 0.190167970965747 D413 -Q472 0.188799616560457 S477 -K509 0.188360220019609 Q411 -R478 0.188057156493564 L276 -N284 0.188002184580337 E421 -A444 0.18788715356735 A417 -D425 0.187479498281078 V409 -S494 0.185960718401297 S492 -L508 0.185344160187604 L167 -K175 0.185327815136275 A259 -I272 0.184785341593479 R441 -Q511 0.182964778676347 D413 -V488 0.181955689222993 D152 -V262 0.181567786116843 V158 -V257 0.181235575744187 K432 -S477 0.181227702801427 L253 -S258 0.180417012888027 D152 -P269 0.17760062642242 I424 -K432 0.177597676603005 D413 -R505 0.177273763745706 K47 -L54 0.176449866334723 S494 -A502 0.17453039236131 K422 -E436 0.174304767366864 L151 -V271 0.173914774481782 E436 -V474 0.173860134115056 I424 -A438 0.173469319712994 V257 -G265 0.173154066007407 A77 -D83 0.172596505795809 G469 -L496 0.172356293484719 K445 -L476 0.171479316376719 N263 -P269 0.170344660354921 I420 -A444 0.168148206607911 K422 -S477 0.166411766672402 R82 -D91 0.165817525082137 Q411 -A493 0.16570701803797 L480 -K509 0.164718146755286 A51 -G57 0.164180941706377 I435 -A479 0.163529692677863 I273 -I281 0.161682875309153 V474 -L480 0.158516094788158 A444 -R505 0.157926652287069 Q411 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0.145911368890236 D152 -L276 0.145680498769281 R441 -A479 0.145500012976004 M76 -A84 0.145492139927187 D490 -A495 0.145199760604107 D413 -D501 0.144990333344184 A442 -Q511 0.14465163162703 L151 -Y278 0.143070007565126 N423 -S431 0.142664189173462 D425 -F430 0.142161392674648 E421 -K471 0.142017040959178 K471 -S494 0.141741605261492 G407 -F512 0.141576728372024 Y260 -I272 0.141131524076377 F426 -V474 0.140658441118326 E421 -E437 0.140516035479623 G56 -A66 0.140428687925553 G161 -T280 0.139947842731886 F426 -A438 0.139404898882727 A442 -F512 0.139319612635544 V162 -V254 0.139020556364363 R261 -I273 0.139012638568801 K422 -A481 0.138825836278709 V257 -A274 0.138614435646103 I408 -L415 0.137901250470536 E437 -E483 0.137562407691137 V474 -D501 0.137259039707356 I424 -I435 0.136976022630411 K471 -L476 0.136713818398264 V414 -S477 0.136635261572053 E437 -A481 0.136589424905923 V409 -R505 0.136162915183169 K471 -R505 0.136011618289984 G407 -L480 0.13595485768184 V158 -F165 0.135743030924483 V409 -A481 0.134844199705551 V80 -V296 0.133880678437814 K471 -D491 0.133854109839469 D413 -A479 0.133777623192958 T156 -S258 0.133338723056331 K445 -L475 0.133025683445762 A84 -D91 0.13299320231912 N423 -A444 0.132639024146881 A285 -I292 0.132605733677757 A440 -A479 0.132594051907522 I255 -Y278 0.131669935721509 P153 -R261 0.131442517213236 D83 -I88 0.131104049848492 N423 -L475 0.130268542485855 I424 -A481 0.129830939530486 I272 -T277 0.129637776490789 V158 -L256 0.129408908235587 A440 -A481 0.128644634093813 Q434 -Q443 0.128267652918326 I420 -I435 0.12804964403601 F416 -Q472 0.127836198214351 R478 -E483 0.127582823552551 R82 -S87 0.127534859698827 L487 -Q511 0.126983185390491 I424 -E437 0.126909051364132 T156 -I281 0.126186027005338 D425 -G482 0.125797828348495 R428 -G482 0.125313769807762 L415 -Q472 0.125307192380232 S63 -A73 0.124891682016846 V409 -A442 0.124641252598587 A81 -V296 0.124515423290873 V488 -A513 0.124458908601294 V154 -V162 0.124026124967124 V414 -G469 0.123735559935287 L256 -I272 0.123728937876614 L151 -Q268 0.122830898060571 I255 -Y260 0.122572252705783 R473 -A481 0.121614122251873 I255 -I272 0.120866026904905 D413 -S477 0.120697833240579 S288 -S297 0.120632904512404 A440 -L476 0.120356458023107 D425 -S477 0.120167121130546 K503 -L508 0.119829417928618 E437 -G482 0.119777984528401 V262 -A274 0.119317071607727 L163 -L253 0.119230585150626 S431 -A479 0.118866955342418 D418 -R428 0.118457960180136 A439 -Q506 0.117970479230205 Q470 -L508 0.117967797108054 K422 -A479 0.117536543595849 L151 -S258 0.117262161602364 R441 -Q470 0.117241026148255 L155 -V257 0.116984771776753 L54 -L60 0.11626633121942 A81 -G299 0.115943481480819 L159 -S258 0.115524081941758 I420 -Q434 0.115350264613513 P153 -Y278 0.114525708492542 C62 -V67 0.114462695167912 Q411 -L508 0.114420544848063 V488 -A493 0.114355041161982 R473 -Q511 0.114297218997621 L287 -V294 0.113544823957314 E436 -E483 0.113507824454812 L159 -N284 0.113200166978634 G407 -V474 0.112993764467142 A442 -E483 0.11282184464402 T419 -V474 0.112462238530003 V160 -L167 0.112234125705507 R428 -A479 0.111790359805882 L159 -V257 0.110897249470567 S492 -F512 0.110666844427594 A442 -G482 0.110558907160422 V160 -L276 0.110558239961905 K471 -A479 0.109299623611571 T156 -G270 0.109114713830042 A444 -Q511 0.108978493182841 V409 -K509 0.108666224706925 K445 -V474 0.108604446134333 T419 -K471 0.108477850828082 V414 -K422 0.108187707486118 V154 -V271 0.108169246122261 A444 -L508 0.107322966324281 L167 -L283 0.106433300050743 A439 -G482 0.106251798275054 S492 -Q510 0.106195786287921 T166 -S174 0.106162293419187 T156 -V257 0.104759471806255 L476 -D490 0.104399041577292 V162 -A170 0.104293283641196 L155 -A259 0.103774122745436 A495 -A502 0.10376369795273 A440 -K445 0.103649234339002 D491 -L504 0.103510963021307 I420 -G427 0.103343235142159 V271 -T280 0.103248643120688 R75 -D83 0.103208970841306 R441 -R473 0.102641152540132 V154 -L159 0.10262758408158 Q470 -L475 0.102477659629356 I408 -A493 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0.0931160205611268 L475 -L496 0.0930056758676399 V157 -L283 0.0927642529522368 L475 -Q510 0.0919672171742669 L256 -L276 0.0912263004782081 V414 -L476 0.0910538471435043 G469 -V474 0.0909681130104705 T85 -V296 0.0908531544792335 D490 -K509 0.0907941985841056 M286 -V294 0.0902439447854118 Q472 -A502 0.0897520000170893 T419 -I435 0.0896573066813744 P269 -L276 0.0895196314035154 V67 -N74 0.0882742697720456 G407 -D490 0.0877024155844923 L151 -V157 0.0876853149900358 L487 -V507 0.0873876617781457 L155 -A274 0.0862135721472495 S494 -Q506 0.0855085581880815 L487 -A493 0.0854241020094584 G265 -G270 0.0853619533659735 K471 -V507 0.0850474036221094 G427 -V474 0.085031321025889 V257 -P269 0.0845362029785219 A444 -V474 0.0838794284183031 K422 -L475 0.0836888755334195 L159 -Y278 0.0831349063892981 I255 -A274 0.0828095018595296 F426 -A442 0.0820846305573761 L410 -F416 0.0810192710510105 V474 -L504 0.0807241020190439 D413 -L504 0.0805349185426469 R75 -R82 0.0804469195158066 R428 -L480 0.080386089843999 A442 -L489 0.0802186648026453 L475 -F512 0.0798668102771156 L410 -S477 0.0794967097673336 G270 -T277 0.0793163986045302 I408 -L504 0.0790993248919083 V154 -I255 0.0789207906499723 D490 -F512 0.078867222293876 Q470 -S494 0.0784720022545611 S492 -K509 0.0781635482492993 A439 -A444 0.0780377554027454 A493 -V507 0.0780343242111217 T419 -S431 0.0780177526677193 L159 -A259 0.0779766479645847 I71 -A81 0.0779119032737756 R441 -Q472 0.0773873646053895 I408 -D491 0.0772296943991231 N423 -A438 0.0770077564509206 V160 -I273 0.0769258528353647 V474 -R505 0.0767467792298771 R478 -Q510 0.0766916292419462 V64 -A73 0.0766766494906026 A479 -S492 0.0763829128185949 V67 -R75 0.076372691585043 L155 -V262 0.0763102534559641 I408 -A442 0.0761830588346801 V474 -Q506 0.075924529575754 A77 -G299 0.0756699261460749 G407 -G427 0.075404033012519 A442 -A502 0.0753884019296698 V154 -L253 0.0752445222731726 Q434 -A439 0.0746681530698421 I424 -A442 0.0743938412024925 Q411 -V474 0.0743627872344582 A66 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