[Mon Aug 29 17:56:06 2016] >Input file: TMC3JQ19M1G.pdb >TM segments: 207-233_ 317-338_ 400-407_ 441-469_ 589-607 MAIDEN score = -12.1218 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 ----------- ---------------- G400 -D462 10 L461 -I466 1.16753657673633 I459 -I466 1.14822256043524 F404 -I459 1.06734845640412 I228 -I324 1.00611236711077 I448 -I459 0.823147805503352 T442 -I593 0.743258602545126 M209 -I214 0.700791887165234 M218 -A226 0.662564076343767 L219 -A226 0.660318680076683 V332 -M337 0.642320414318022 V407 -N455 0.640862660611378 V402 -L461 0.621298523831328 R401 -I464 0.569809081597088 V407 -I459 0.558228161479246 A229 -N320 0.555191640739922 R450 -I466 0.554580233462546 V407 -G457 0.551729835684718 N446 -Y452 0.51696143766856 V208 -G213 0.51299241461883 V407 -L454 0.484506050146646 L225 -I324 0.460345894959069 T443 -E453 0.441796856807972 L447 -E453 0.439789205376925 F404 -T460 0.424147243135312 A229 -I324 0.39717246729713 V445 -F591 0.39285706043573 I600 -I606 0.391410033934772 L447 -L454 0.382190505351391 I464 -M469 0.374057043123852 K403 -G463 0.363937916474777 T210 -L215 0.356568244109149 R450 -D465 0.349772089120902 M330 -G335 0.345570538200727 E405 -G457 0.342950196784833 M218 -P223 0.336723624457056 R450 -A467 0.335496891959528 V326 -R331 0.33075468416609 E405 -G463 0.326180669291443 A231 -A323 0.320033637281369 R450 -D468 0.303575400681066 G328 -S334 0.296763760216757 G457 -A467 0.292272477950379 L225 -G329 0.288952180683007 N320 -G328 0.282994030835794 P223 -T338 0.281887261086987 L447 -G457 0.277406581659095 R458 -I466 0.277054817344375 F404 -R458 0.276430199191815 N406 -I459 0.270771000048354 S222 -G328 0.270671466636328 G457 -D465 0.264602411660656 R401 -T589 0.264343560399905 G213 -W220 0.260734286843178 G400 -S590 0.259595429076694 I228 -N320 0.250724570973922 L225 -T338 0.241886154614452 K403 -A467 0.241375176354024 W220 -T338 0.239578098706487 L449 -T460 0.238492450837613 V402 -I459 0.236504558978969 T442 -L449 0.23527487489069 L461 -T589 0.232460721374653 I228 -V322 0.229802834809598 V327 -V332 0.226919287208418 L447 -I459 0.223522488289556 L225 -G328 0.214340018316383 A229 -G328 0.210196999863234 V407 -L444 0.208643959852686 V327 -S334 0.207117336806875 A231 -G317 0.205358245606982 F591 -V607 0.205023438435768 R401 -D465 0.204284387761166 E453 -T460 0.203882735652877 I324 -T338 0.203521076551651 V402 -T460 0.203279817482796 N318 -A323 0.200335728102413 A594 -I600 0.199730438445247 R450 -N455 0.195289896089344 S590 -N604 0.192365509090823 V208 -M218 0.191614630910347 R458 -D468 0.191558445724816 G400 -D465 0.190876618838488 V327 -G335 0.18766622530891 I228 -V326 0.181763961796676 T460 -T589 0.175053232754253 T589 -N604 0.172060737261841 L449 -S590 0.171454461737565 T232 -A325 0.168928084723191 V592 -D602 0.168803420528717 A226 -G329 0.167583600772378 A229 -G329 0.166463792609187 V233 -A323 0.166031715579946 A231 -G328 0.165900341325072 V402 -R458 0.165595950347156 R450 -D462 0.165122167026851 S456 -A467 0.163654463005465 N446 -I593 0.162970377748448 D602 -V607 0.161637807856089 N446 -I459 0.158921115998359 K403 -D468 0.156070866873581 R401 -G463 0.155905074246426 N406 -L447 0.155681951228288 R458 -M469 0.155071605167782 A594 -R601 0.154608703688342 F404 -N455 0.154376518878691 I448 -I593 0.15390347435672 A226 -G328 0.15380187350032 T443 -A594 0.153610879046495 K403 -I448 0.152304789672909 D462 -T589 0.150740951950914 H595 -V607 0.150476208806918 V211 -A226 0.149614249823013 I448 -I464 0.149111407408212 N446 -N455 0.149037191709411 N455 -D465 0.147913228488784 S222 -R331 0.147657385156554 L225 -V327 0.147522213602093 K403 -I464 0.147048746677285 R458 -D465 0.146146557197522 R596 -A603 0.145785756232004 V211 -V230 0.145061368995605 I214 -I221 0.144592588492307 Y452 -M469 0.141472963839885 I214 -L225 0.140822496746228 V230 -V322 0.140524185832654 P223 -R331 0.140221615677622 S222 -M330 0.139021301747006 L444 -S590 0.137684965125335 A323 -R331 0.134569920539675 F404 -V445 0.131400152307926 A226 -Y321 0.130300829480774 N446 -T460 0.128591333302772 S222 -I228 0.128104841856074 I448 -T589 0.125375561234174 A229 -V326 0.125118610591626 V592 -S598 0.125045689618629 T442 -H595 0.124602131028954 S222 -V327 0.122581090908099 V407 -K441 0.121830904835739 I221 -G328 0.121472971414005 W220 -L227 0.12132235733955 V407 -I448 0.120145329840218 E405 -T460 0.11977579886856 S222 -A325 0.114490350861795 L215 -A231 0.114488134949871 V326 -G335 0.114217710194555 R401 -N604 0.113829667380938 G213 -I221 0.113331532543489 R450 -I459 0.11309904694634 Y321 -M330 0.112822868882427 L215 -L227 0.112758064409891 A226 -A325 0.112104444086512 F404 -E453 0.111125850948792 S590 -L605 0.110740816152798 Y452 -G457 0.110525700781213 N406 -S456 0.11027693739326 K403 -L449 0.110113582967074 A226 -A323 0.109234464543406 A226 -N320 0.108362344133124 G463 -M469 0.108124175752776 I448 -L461 0.107542315747493 M218 -G328 0.106833506492533 K403 -G457 0.10656939354148 K403 -R450 0.105803927159975 R601 -I606 0.104346619054928 A594 -A603 0.103520376815366 R450 -G457 0.103518329631289 N406 -E453 0.102925041765765 G400 -F591 0.102655017673415 V230 -A325 0.102322324862343 N406 -T443 0.102003761125782 A229 -N318 0.101866324704097 E405 -D462 0.101196131446543 L454 -I459 0.0987453689964295 L224 -A325 0.0984774135665406 V230 -A323 0.0984072370802198 P223 -V327 0.0984036756838695 L444 -N455 0.097933159983189 V402 -S590 0.0977705822290842 L224 -V326 0.096914195615424 E453 -D468 0.0955832999375463 V216 -L227 0.093808163009671 R450 -R458 0.0935138841295627 A229 -V322 0.0933100216114388 I448 -S590 0.0928438602991113 M218 -T338 0.0912829207165123 V445 -A594 0.0910949837142943 L215 -A229 0.0909258483115316 L225 -V326 0.0905058255548217 R401 -T460 0.0901399667777065 G317 -A325 0.090121787331956 I324 -V332 0.0900108872582089 I214 -L227 0.0897682245713564 L597 -L605 0.0879413250718386 T443 -I459 0.0878270870712304 L225 -V322 0.0877257036224952 L444 -A594 0.0871392326018732 I459 -D468 0.0870920495599701 A323 -V332 0.0868936801958249 P223 -M337 0.0865399749929796 S222 -T336 0.0856647101247707 L224 -M330 0.0853090989168193 S590 -T599 0.0849258381747717 V216 -L225 0.0841851689767155 V233 -Y321 0.0841786020843773 G457 -G463 0.0826238502043761 L215 -V230 0.0819847690540487 K403 -S590 0.0818114568075554 A229 -V327 0.0811206877028567 L449 -V592 0.0805532218109937 F591 -L597 0.0804521773322291 L444 -L461 0.080248024043422 G457 -I464 0.0790844273738811 V407 -I466 0.0790742677372132 A325 -A333 0.0786101279695028 S222 -G335 0.0772738087156228 L225 -V332 0.0770633012343942 V402 -L444 0.0761781041771172 S222 -G329 0.0760876549122798 M209 -M218 0.0760724474910214 M218 -A229 0.0759521455877588 L225 -V233 0.0759370864477056 L447 -A467 0.0752782006466184 E453 -A467 0.0751901432384909 L227 -Y321 0.0750083733103164 V402 -V407 0.0747113457519486 V216 -L224 0.0746793198774705 V592 -N604 0.0745240356541854 E405 -I459 0.0734739487184197 E405 -E453 0.0730774653411899 V233 -G317 0.0729425824748509 I448 -I466 0.0722846471842704 L444 -R458 0.0721552932829286 L447 -I593 0.0701458588169226 L447 -D465 0.0694009910387376 M217 -L224 0.0692010544914348 N446 -R458 0.0690607407063171 T443 -S456 0.0689380902402399 K441 -I606 0.0687187858824889 V327 -T338 0.0680384661827613 R331 -T338 0.0678315485756863 T232 -V322 0.0676776228942073 V445 -I606 0.0675698722602072 V326 -S334 0.0675421258208981 V407 -R450 0.0673619273679131 F451 -R458 0.0673111047486881 T442 -R450 0.0665866800863976 I448 -D465 0.0641673715209734 L212 -I221 0.0638001478527648 I324 -A333 0.0634799058811408 F404 -T589 0.0627177479793772 K403 -D462 0.0626648541856871 N318 -G328 0.0625166868419372 M209 -L219 0.0623570844393573 T589 -L605 0.062247168427084 L449 -D465 0.0621208152180599 A325 -G335 0.0620708897667721 A594 -I606 0.0609669406994799 R596 -D602 0.0608422544953582 V407 -L461 0.0608223543034754 A325 -S334 0.0604080523809785 D462 -A467 0.0603440032613718 N455 -A467 0.060167099228964 V445 -I593 0.05950344960078 T442 -S590 0.0578577722427465 G400 -I459 0.0575995238618298 L227 -A325 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