[Wed Aug 24 18:44:15 2016] >Input file: TM2ZXEATD.pdb >TM segments: A95-114_A129-146_A295-313_A320-339_A775-796_A801-821_A850-869_A919-937_A952-969_A988-1004_B37-55_G24-40 MAIDEN score = -96.7590 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 ----------- ---------------- C31G-E960A 10 C111A-N129A 10 V929A-S995A 2.02916980567571 Y778A-C937A 1.87638993166795 M852A-I857A 1.60258533994903 P789A-P801A 1.31647628205058 I936A-E1003A 1.25685486730864 L38G-I953A 1.23177107392715 I857A-I998A 1.20949312257151 I327A-I787A 1.2054095594897 S868A-C990A 1.18557177786287 F97A-I102A 1.14312406963029 A330A-I787A 1.01120731489608 F100A-V332A 0.979512916581054 V929A-F992A 0.97270606892194 E334A-L808A 0.93657854552943 E786A-A862A 0.928543553436279 D815A-V927A 0.917465015215976 I784A-M859A 0.915683629488704 L38G-F956A 0.896220827698384 E334A-D811A 0.889568784502219 F112A-L130A 0.887130770314362 L336A-D811A 0.878049183542042 E786A-L802A 0.85223425568411 L103A-I328A 0.849956226900737 F867A-C990A 0.849856503997721 I784A-Q861A 0.833813423069664 S821A-L954A 0.831631011447615 L110A-I325A 0.81057727152234 I857A-D933A 0.809965646529294 T54B-F867A 0.794684141431824 A40G-K952A 0.79437933968131 P818A-L958A 0.779074011339024 P333A-L780A 0.771484673252911 I924A-W988A 0.765877345116681 V928A-F992A 0.755583821273847 L24G-F967A 0.742769409921548 L110A-V321A 0.736997676192469 L104A-I328A 0.736419523510178 V817A-E960A 0.73296886669405 D815A-E961A 0.727895240024471 T806A-T920A 0.721526405325739 V329A-E334A 0.716265959863499 L30G-F959A 0.704596313429144 G865A-F922A 0.702677245380566 I850A-G855A 0.698170870006772 I860A-Y994A 0.690871003246704 L96A-I141A 0.686869114910305 L104A-L136A 0.683918714582582 G34G-F956A 0.683690927219223 G303A-I328A 0.682784175924478 L104A-V140A 0.682434971404981 V139A-E334A 0.67557819905567 V329A-T804A 0.675426223865162 I35G-F956A 0.669542556187094 A27G-L964A 0.666891665499647 T814A-V927A 0.665332976907994 L24G-A966A 0.662503714699438 I327A-F790A 0.655321806176743 L780A-Y854A 0.648803979255262 C937A-D1002A 0.644452964823955 P818A-L934A 0.642447704093625 T814A-T962A 0.641343314366019 A108A-V135A 0.638846630807873 G107A-V329A 0.638566051498143 F307A-L324A 0.631342499779578 I55B-F867A 0.630928968184229 I295A-N331A 0.626285505419194 A108A-L132A 0.623055056997474 L336A-I776A 0.622568168764547 G865A-F923A 0.621761941008778 V927A-T962A 0.621647713316019 F307A-A320A 0.620360254246709 G326A-F790A 0.616654536953343 P785A-L863A 0.608378822584408 F307A-V321A 0.606733933662017 S868A-F922A 0.603818325150496 G864A-S925A 0.603630232593538 P801A-H919A 0.599062720012361 W105A-V140A 0.596237950775172 I33G-F959A 0.594693079029284 F866A-F922A 0.592271851581055 L311A-A320A 0.592177270469072 G864A-V929A 0.572920407170292 S868A-S921A 0.565135822316922 S821A-G957A 0.563822436151952 T779A-D811A 0.563707495915358 V329A-I807A 0.563516455865589 A932A-L996A 0.555284177964573 I295A-V332A 0.555051197374433 V29G-A963A 0.553987787738281 V927A-E961A 0.537103482264982 L104A-S137A 0.535219261658314 V298A-N331A 0.535065139465915 N331A-I784A 0.534945116890605 A114A-I322A 0.533834252122898 L802A-F923A 0.527157624428258 F323A-F790A 0.52549550772725 A114A-V321A 0.52346732476181 F306A-L791A 0.523059294565277 A108A-V134A 0.522550083612764 P785A-G865A 0.51902039927438 I784A-Y854A 0.517523349841997 L802A-H919A 0.517268784425518 L96A-V140A 0.516221249488761 F867A-A991A 0.513549705069725 A299A-V332A 0.513338456783395 W105A-L136A 0.509059543190354 F51B-F867A 0.507352174173231 L863A-Y994A 0.505879377385913 F790A-L802A 0.503304207556422 L802A-F922A 0.501053333542941 F146A-L337A 0.499876079372993 W931A-L958A 0.499816286989308 W105A-S137A 0.491445515761194 P818A-L954A 0.491152381073526 G34G-E960A 0.489850946532917 I810A-M816A 0.487804228585486 Y778A-A853A 0.486427454782958 V26G-A966A 0.485157480918533 T806A-H919A 0.485139544589298 F100A-T296A 0.484560848231104 C111A-L130A 0.477459760149108 P801A-F922A 0.476358041079316 I810A-F923A 0.475067054431124 L47B-I860A 0.472464585050284 P785A-I926A 0.461507086182578 V817A-E961A 0.461172676278711 P801A-F866A 0.460975939642733 L96A-I102A 0.458857365683586 I860A-I998A 0.458367206134097 V332A-N783A 0.458173157536005 C111A-I322A 0.454516049974713 T296A-V332A 0.45341775546886 T339A-M816A 0.450561234045785 C809A-D815A 0.450003868697959 T138A-E334A 0.4489184744862 T806A-F923A 0.444427794031726 C145A-E334A 0.440550239108264 N783A-Y854A 0.440465346420609 S821A-I953A 0.439089567583567 P818A-K952A 0.436562778250838 F100A-E334A 0.430994210653506 C809A-E960A 0.428750535513636 V927A-A965A 0.426921699773457 C809A-F923A 0.426481132616232 A330A-I807A 0.424482804224008 F51B-L863A 0.42254772567676 L302A-I327A 0.421769139202337 A330A-T804A 0.418396115771857 V817A-L954A 0.412858755322299 W931A-S995A 0.412376158446843 I37G-F956A 0.410929774731482 C111A-L132A 0.407499408711501 V928A-W988A 0.405913552526019 F307A-F323A 0.404979795875012 S921A-W988A 0.400130610965877 I936A-F999A 0.39868380385284 P789A-L802A 0.397929477471963 A932A-I998A 0.39511333367205 I109A-G133A 0.394610443518793 G864A-I926A 0.392405859682597 L802A-I807A 0.391653036686449 M816A-W931A 0.391184301183201 V329A-L808A 0.389845368144508 V304A-L324A 0.388107447046278 I37G-I955A 0.386736218551205 V26G-A963A 0.386736164718032 I784A-A862A 0.383212474171181 S925A-W988A 0.380919159097825 A27G-T962A 0.377946137405295 S868A-S925A 0.375248032188212 T920A-S969A 0.367041518360665 W988A-P993A 0.363596636477937 P785A-S868A 0.36329343670385 F793A-P801A 0.363114177588273 C46B-T54B 0.363091875588338 A27G-F967A 0.361285460342164 A28G-A965A 0.361142995801574 L103A-T296A 0.360914805990798 T920A-C990A 0.360740877958089 C809A-T962A 0.359627840533574 L808A-G813A 0.359344303947714 L802A-T920A 0.356874508313655 Y778A-V928A 0.356399552707086 S782A-P789A 0.355657711357853 L104A-V332A 0.351234018460946 C31G-K952A 0.349851648755467 Q861A-Y994A 0.349537831567151 T779A-E786A 0.345297609358221 P789A-S868A 0.342476457672919 C145A-T339A 0.338732186502155 V300A-S305A 0.336332897449759 T143A-L337A 0.336109525586382 S782A-Q861A 0.335921015809933 V139A-D811A 0.333715833228312 A48B-A862A 0.33347671068775 T814A-A965A 0.332793925786468 V929A-L996A 0.332608596293894 D815A-V928A 0.330967762575175 L132A-V805A 0.330555054142416 A299A-I328A 0.330438161603384 P333A-P818A 0.330433222934403 A777A-C937A 0.33031169390467 G858A-A932A 0.329565238881834 M816A-V929A 0.328782146121667 I935A-F999A 0.328743787756709 F306A-L324A 0.32801081227054 F323A-E786A 0.327709964279247 P789A-A862A 0.326423341294373 Y44B-Q861A 0.325693708929986 Y854A-M859A 0.325479865775353 D815A-V929A 0.325279020270854 Y778A-L934A 0.323373494202293 A48B-G864A 0.323299679814576 I787A-C809A 0.322071786638223 L104A-V139A 0.315716030115052 I807A-F923A 0.315066764310932 A777A-G855A 0.314740479286067 F100A-C145A 0.314665270405094 G803A-G865A 0.313742348571672 G99A-G107A 0.312974621134092 S782A-P818A 0.312709471924605 A819A-L934A 0.310681786741005 Y778A-G957A 0.310273882373433 Y869A-F922A 0.306673041525062 V929A-I998A 0.305710167727983 L30G-E961A 0.305614964884939 S782A-Q930A 0.305267995339538 G865A-A991A 0.305233980221911 N331A-P789A 0.303656713415562 L30G-T962A 0.302623778893717 G99A-E334A 0.301181148154663 G34G-I955A 0.300865938215486 G335A-M816A 0.300228431234951 A108A-I325A 0.297866586396691 F790A-P801A 0.297389174144334 S925A-A932A 0.297383161889445 Q930A-S995A 0.295780849221963 A338A-S775A 0.295049617808039 Q861A-I926A 0.294451060215428 G49B-Y994A 0.294188259032325 P333A-T804A 0.294154052743533 P333A-T814A 0.29409917181915 T781A-P818A 0.29388423499327 L103A-V332A 0.292453963450316 G864A-H919A 0.291588427703239 A862A-I926A 0.291204404693279 L302A-G326A 0.290518836986524 S925A-C990A 0.286998924313372 V332A-Y854A 0.284137927064855 N783A-G858A 0.283885247814048 T339A-T779A 0.283848371565627 L132A-G803A 0.283760139907649 S782A-G855A 0.282924244946433 D815A-Q930A 0.281123436536751 Y778A-Q930A 0.280223982697916 Q861A-A991A 0.279728337838523 L103A-G326A 0.278975634129787 P801A-Y869A 0.276892398072716 F37B-C46B 0.275961556270201 T296A-E334A 0.273871533809326 Y869A-S921A 0.273586584866553 P789A-F866A 0.272658292300092 G335A-S775A 0.271402847500335 G49B-L863A 0.271009139682507 G99A-N331A 0.269458231843403 N783A-C809A 0.268990431905574 G303A-L324A 0.268022065887089 G107A-L136A 0.268015564601669 P333A-S775A 0.266666073212195 S775A-C937A 0.26578127506472 G45B-G53B 0.265027574518565 T339A-A819A 0.263957304034311 G326A-N783A 0.26171721938461 T781A-A853A 0.261460717779386 I926A-A991A 0.26067374982886 G864A-W988A 0.260380729559133 C111A-I325A 0.260031116114964 L104A-V329A 0.259982977306774 G858A-S995A 0.257955771226826 V929A-D1002A 0.256958257344977 M852A-V929A 0.256957481383996 S101A-G335A 0.256833773045322 Y869A-C990A 0.255450651823441 G98A-G297A 0.254970098596503 F306A-G326A 0.254723838026665 S782A-A819A 0.25320026818486 P818A-Q930A 0.252207994842446 V329A-V805A 0.251152367313179 S821A-L934A 0.250961934084931 D933A-M1004A 0.250599936503088 E334A-T804A 0.249598079503927 C937A-I997A 0.24919170051826 D811A-D933A 0.248269781180134 G803A-S921A 0.247637020446509 A853A-A862A 0.247488001077073 I810A-V927A 0.245960364848098 N783A-Q861A 0.245906692656391 Y40B-Q856A 0.245326349744026 T779A-Q861A 0.245006376904949 P785A-S921A 0.244702359260002 V329A-E786A 0.243655525541812 G865A-W988A 0.2429285291133 L24G-T962A 0.242207416628228 T779A-D815A 0.242091395941393 G45B-Q856A 0.241755950136704 V32G-E960A 0.240839461215096 G326A-F793A 0.240772792203368 G864A-C990A 0.240689407571081 G144A-E334A 0.240570776349453 G335A-N783A 0.240191207566117 P801A-Q861A 0.239702825610318 G865A-I926A 0.238247818580776 T814A-T920A 0.237594244574273 L132A-T806A 0.237431587416885 H919A-W988A 0.23650526084896 G865A-F989A 0.235591139538562 F146A-A338A 0.235255348446964 G99A-L337A 0.235027331546534 F922A-Q930A 0.23484480019789 P785A-G858A 0.234805031240865 Q930A-F959A 0.233795828413661 L136A-E334A 0.233695700485994 T788A-T806A 0.233492450181632 E786A-I807A 0.23271167904587 G813A-F923A 0.232064772076152 Q856A-F999A 0.230868076066599 S782A-Y854A 0.230281033689193 I807A-V927A 0.229535972695836 M859A-Q930A 0.229427552440167 L324A-P789A 0.228510912063745 Y778A-D815A 0.227863865086289 V298A-I787A 0.227637826368671 P785A-A862A 0.226347692906891 E334A-T814A 0.225000572234345 G53B-G864A 0.222722839784153 S921A-S995A 0.222706988272943 G803A-I810A 0.22196104627854 P818A-I953A 0.221940211290939 S775A-Q930A 0.221327319948604 D933A-F999A 0.221282998104205 V140A-E334A 0.219741245489975 A862A-S921A 0.218764770775454 C31G-E961A 0.217720297722099 F146A-E334A 0.217136604085892 P789A-Q861A 0.216823867540538 Q861A-Y869A 0.215658273543373 C111A-G303A 0.215374167943017 L802A-S921A 0.215232425771601 Y44B-Q856A 0.21463575238923 A819A-F956A 0.211378710784557 I860A-C937A 0.211092374598628 Q861A-C990A 0.209235707747966 L863A-P993A 0.208981129303599 V29G-F967A 0.208924179602973 Q861A-Y1001A 0.208519485815411 T781A-M852A 0.208125058835473 L103A-P333A 0.208085654303593 G107A-N331A 0.208026493248196 T781A-T814A 0.20800505024588 L96A-T138A 0.207892791125923 T788A-T804A 0.207055281320429 I998A-E1003A 0.207022790036827 V304A-L309A 0.206867987824175 Q861A-S995A 0.20570034842364 S868A-V928A 0.205429167650164 T138A-G335A 0.205086568704418 C111A-I327A 0.204483167603537 N129A-G803A 0.203923159250332 A108A-L136A 0.203150459273149 G858A-Y1001A 0.203048783649795 G49B-P993A 0.20297740309798 P785A-L808A 0.2025923092917 C46B-Q856A 0.202089309022905 S310A-P789A 0.201827203155956 L336A-T779A 0.201602286214031 S310A-G796A 0.200865168281227 G107A-I325A 0.200070428115153 L302A-N783A 0.199971821574324 G107A-L130A 0.19941024730748 I784A-G858A 0.199361967034597 A819A-E960A 0.199321159129856 F790A-Y869A 0.198014996069833 I325A-T806A 0.197362865917756 T920A-T962A 0.19711042644681 I322A-G803A 0.196932412958684 T814A-L964A 0.196684810167365 P785A-M859A 0.196648349829982 G335A-S782A 0.196099161653819 L313A-G796A 0.196029296902422 T814A-I955A 0.195754309177622 I33G-G957A 0.194593104401813 Y854A-C937A 0.194424681901014 V332A-C809A 0.19426197960756 P785A-Q856A 0.194162333397967 T806A-G865A 0.194133179034455 T779A-W931A 0.192292637291074 G107A-V139A 0.191720714419262 T339A-I820A 0.191627064470424 N783A-L791A 0.191574663097468 T779A-A932A 0.191517401912181 A932A-T962A 0.191165912696178 W931A-Y994A 0.190531393901577 N331A-G858A 0.190313698380812 S868A-A991A 0.189951413417466 T339A-I810A 0.189570399001585 L41B-G855A 0.189033650533149 V929A-Y1001A 0.188661201589829 A48B-F867A 0.188033636814382 N783A-G865A 0.187199036412304 T920A-A991A 0.187079443733393 I106A-T138A 0.18650259741975 Y778A-M859A 0.185429762112196 A28G-A963A 0.185359234710324 Y44B-M852A 0.185225405792595 I807A-G813A 0.185157517330134 E786A-Q930A 0.184858341148791 N129A-L324A 0.184351048610661 S921A-P993A 0.184296659915155 I106A-G303A 0.183912002806717 L136A-G326A 0.183769421224012 N783A-F922A 0.183757681421007 I924A-A963A 0.183673666848969 F922A-A965A 0.183308787374669 P785A-H919A 0.183128382532841 L780A-P818A 0.182366865394961 G303A-I308A 0.182328508449732 A299A-G326A 0.18204122384139 L336A-P818A 0.181923816982589 P801A-S925A 0.181579202607844 T814A-F967A 0.181548541968603 G303A-P789A 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