[Wed Aug 24 18:36:00 2016] >Input file: TM3DHWATD.pdb >TM segments: A9-40_A47-72_A92-109_A146-165_A185-207_B12-31_B59-84_B88-104_B150-166_B192-207 MAIDEN score = -77.4129 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 ----------- ---------------- V40A-N49A 10 L72A-P95A 1.656461411774 M19B-I93B 1.586203880732 V60B-P102B 1.45430247289354 I69B-M163A 1.33032443164463 I69A-M163A 1.20479498346204 I155B-I203B 1.18440268380081 I155A-I203A 1.18355989312086 I66A-L71A 1.17043758306555 F68B-Y160B 1.03580848425888 I152A-Q204A 1.02823810375265 I152B-Q204B 1.01758751781944 I155A-Q204A 1.00849408162621 V60A-P102A 0.987559221127157 V60B-F103B 0.985425099435501 L193B-I66A 0.884054525240954 F26B-V98B 0.8637898539828 I66B-V197A 0.857049241370063 L72B-P95B 0.823377235664507 W74B-M189A 0.806538266527165 L193B-I70A 0.805939809707937 I66B-L71B 0.805902914260082 P67B-A162A 0.785931063334244 F103A-T153A 0.7785716249568 V22B-I93B 0.765440144847506 M163B-I69A 0.765339729789942 M19A-I93A 0.765005292990338 Y39A-I47A 0.759089389323156 V60A-R106A 0.753577069073001 V108A-L146A 0.73664929840554 S23B-I93B 0.716604861739127 F68A-M163A 0.706926048073037 L196B-I66A 0.698194459155027 I69A-G164A 0.693771315647304 T16B-V158B 0.690327773082518 A100A-L157A 0.676550961820653 A100B-L157B 0.650736337266429 V60B-A101B 0.647983827825621 F26B-A101B 0.644341815648042 G27A-I104A 0.641791645888574 I155B-V200B 0.641683844423635 L154A-I203A 0.640904352750293 T151A-I203A 0.639935829807768 M19A-L157A 0.631724405895988 L96A-Y160A 0.62719394114947 I104A-A150A 0.626702627674235 M19A-L154A 0.621522605343322 T79B-V94B 0.619295127440237 F63A-G99A 0.614075382463197 F68A-Y160A 0.610597113645714 L71A-P95A 0.606630253348441 F68B-G99B 0.601928813300638 E15B-L89B 0.601158694210554 T20B-V158B 0.589233272871148 L32A-V108A 0.586336404284319 I155A-V200A 0.581910270433227 R64A-G99A 0.580844394196276 F63A-P102A 0.579425207530112 G31B-P102B 0.565574254066656 I62B-V197A 0.563309512762152 F26B-A100B 0.56027449895081 L154B-I203B 0.558568630861312 F63B-G99B 0.558232729346801 F68B-G159A 0.555804720577933 G159B-F68A 0.552383180237359 V197B-I62A 0.552343803704342 F68B-M163A 0.550667792815155 F26A-A101A 0.544026931464213 V60A-A105A 0.532171951803265 F63B-P102B 0.53194329131514 F68B-A162A 0.524354537111238 V60A-A101A 0.524184586196587 V36A-E109A 0.521011753546071 I70B-L193A 0.519059093986709 F26B-G31B 0.507392053421534 T79B-A92B 0.504933698301394 G31A-V108A 0.497668090770152 L96A-L157A 0.494436268676084 S23A-F28A 0.488343501564544 Y53A-A58A 0.487297295262552 G27B-I104B 0.486603870307576 T151B-A206B 0.483450052370181 A100A-T153A 0.475859531977682 L37A-Y53A 0.460550488839512 L37A-S57A 0.458413235819649 S23B-L154B 0.458063032118347 V22A-I93A 0.451898584413053 I69B-G164B 0.451032286664869 I76B-P95B 0.449960841104464 L96B-S161B 0.449000303305029 S23A-L154A 0.448640592750947 R64A-F103A 0.446049512914597 T16B-A162B 0.443988752283297 A162B-P67A 0.44122176965675 W74B-N190A 0.428985135168645 I66B-L196A 0.423484372409461 L72B-L96B 0.421487994123791 M19A-S161A 0.418155696012295 V22A-V94A 0.417499680418204 L37A-V56A 0.412976766677298 P67B-L196A 0.410862090543777 L193B-L71A 0.41069118057434 V34A-R106A 0.410402463338845 L32A-R106A 0.410320075920294 L96A-S161A 0.400117271091721 V197B-I66A 0.399105571128774 S23A-T97A 0.398520330022206 F63B-F103B 0.397412108025423 I66B-L193A 0.393266981203535 V40A-K51A 0.39060390267902 V108A-A149A 0.388806536245056 R64B-F103B 0.385738675574136 M19A-V158A 0.384930064515264 I30A-A101A 0.384623210466431 M107A-L146A 0.379440986689793 A92B-A162B 0.379311224811412 A18B-A91B 0.379171449635995 T16A-S161A 0.378248871225083 A150A-A206A 0.37708008352594 S65B-Y201A 0.374536821672515 G27B-T97B 0.372465874864724 F28B-I104B 0.372334360384649 F28A-P33A 0.371569628975801 I70B-M163A 0.368045413711581 L71B-P95B 0.367766330756613 G24B-V29B 0.36713122887299 L71B-G99B 0.366218990064232 T151A-T156A 0.365083436242407 T20A-L157A 0.364645325391477 L9A-T191A 0.363877357715951 M107A-A149A 0.363832891569568 A101A-A150A 0.362562665193871 V36A-A48A 0.36237911452233 T16A-V158A 0.36067737922636 P67B-P67A 0.357839988122643 V22B-Y160B 0.356667521439821 V73B-Y160B 0.356141257727016 T79B-A91B 0.352510078617921 Y201B-S65A 0.352421287259241 T20B-L157B 0.349388210500023 I69B-A162A 0.348362218129695 A162B-I70A 0.347317427447724 V158A-V200A 0.346249364921829 A100B-A150B 0.343771530006965 L17A-V158A 0.342989089663435 S23A-P95A 0.340255908811624 L71A-G99A 0.340109352582068 T151A-Q204A 0.337197546075052 L17B-V158B 0.336450746342244 V10A-M19A 0.336433635386711 L32A-A105A 0.329813124925684 W74B-N185A 0.325951590381273 I70B-A162A 0.319725687433792 S23B-A92B 0.319199224551743 F68A-G99A 0.317823142208409 F26A-G31A 0.317812372763477 E15B-G88B 0.317646331348302 G99B-G159B 0.313387864966855 A100B-G159B 0.31125259321969 W74B-A186A 0.310674049065714 I69A-Y160A 0.310614514900805 T97B-T156B 0.307859145064519 F25B-I30B 0.305918324825793 L96B-Y160B 0.305079837103094 T156B-T156A 0.305001747141207 L72A-L96A 0.300091169470788 I104B-A150B 0.297749134977658 P67B-T16A 0.296101269573244 N61B-P67B 0.295682831886489 P67B-W74B 0.29380565294707 P67B-T156B 0.292932012331272 T16B-P67A 0.290597533954809 L9A-V192A 0.290368358602299 G27B-A100B 0.289475154172559 T16B-S161B 0.287859684188427 L17B-G159B 0.286673189919952 I104A-A149A 0.285886168632397 P67B-N190A 0.285726873092438 L72A-A92A 0.28568155852626 G31A-R106A 0.284142627245747 A100A-S161A 0.283636556363453 P77B-T187A 0.28356436709226 S65B-A100B 0.282904595746728 L37A-R106A 0.280676811504111 A100A-G159A 0.279157862268909 L72A-G165A 0.278136263209574 G159B-I66A 0.27766510116159 R64B-A100B 0.274970716427474 N61A-G99A 0.274967462280903 G35A-L146A 0.273168355141061 A92B-G99B 0.26816442382857 A92B-A166B 0.266561995222498 L17A-G159A 0.2652829515619 V22A-T97A 0.262813564619027 V22B-T97B 0.262580580129629 G27A-L32A 0.262202506332739 G27A-L96A 0.259204074518515 P67A-T156A 0.257401792814152 N61B-F103B 0.25682431083403 V40A-L52A 0.256555350491747 N148A-G207A 0.255083918727844 P33A-E109A 0.25480868806429 V22A-L96A 0.254530834011466 S65B-V200A 0.254070063545384 R106A-N148A 0.253407504783333 L96B-G159B 0.253294603333646 N61A-P67A 0.252653432483536 L9A-V188A 0.252080706850847 G99A-S161A 0.250968602040198 G27A-L157A 0.25047742978923 L193B-S65A 0.250405822354034 L32A-P102A 0.248459001665018 I104B-T153B 0.248119834342862 I69B-M163B 0.24789967330467 L96A-P102A 0.247835708020163 I30A-A105A 0.247656705637096 W74B-G99B 0.245708044970351 T16B-T97B 0.245088974378073 S23A-L96A 0.245081043873234 I104A-T153A 0.243365498045105 Y39A-R54A 0.243226829100455 P102A-E109A 0.240137622204684 V147A-G207A 0.239836541306159 A58A-R106A 0.239269618361261 M19A-I155A 0.238056884006269 A162B-I69A 0.23702831465469 M163A-V197A 0.236877983548824 M19B-S161B 0.236770496664223 E15A-G164A 0.235515762146887 T16B-L195B 0.235048837494236 L71B-P77B 0.234337614313477 A92B-Y160B 0.234192404138146 T20B-L154B 0.234097943478875 I104A-V147A 0.233199459971322 R64A-M107A 0.232946231560708 L71B-T79B 0.23265270257906 F26A-T97A 0.231662713639555 L71A-T97A 0.231301934353846 S161B-S65A 0.229259149169335 V98B-M163B 0.224565980547812 L71B-T97B 0.224376806738403 V158B-V200B 0.222711144306367 L17B-S23B 0.220944643578281 G159B-A166B 0.220733408516371 P67A-L157A 0.219453532135468 V22A-G99A 0.218498618301909 S23A-G99A 0.21824281988457 L71A-G164A 0.217897966116982 S65B-A162A 0.217055053031693 S23B-Q90B 0.216195878074819 L71B-G159A 0.215649953304086 V13B-G165B 0.214921344607984 M19B-V200B 0.214364550801058 L9A-T187A 0.213836114998111 A18B-Q90B 0.213801050847069 V10A-E15A 0.213409621710442 G31A-A101A 0.211605217026508 G35A-V60A 0.210260137628369 F26B-A150B 0.210049546639402 V34A-E109A 0.210048345228886 L72B-A92B 0.210026360158644 V94B-S161B 0.209972389358407 V22B-S161B 0.209343822102687 F21A-V94A 0.209190656965715 G12B-S161B 0.20913344334636 F78B-V98B 0.207877205129512 S65B-V158A 0.206772277484717 P67B-L157B 0.206689842432165 G84B-A92B 0.205650747461754 L96A-V158A 0.205474074686638 F26A-V34A 0.204491904087763 G24B-L157B 0.204269270991883 G27A-P95A 0.203999816697494 I30A-T153A 0.203844599954907 F25B-V98B 0.203720300131451 N190A-L195A 0.203158489523793 L37A-N49A 0.202708417886082 I93A-T156A 0.202371613177772 M19B-L196B 0.20203689759699 V158A-L199A 0.201972406776244 T97A-I155A 0.201385066850065 A92B-G164B 0.200536622577475 T20A-Q204A 0.200358421324284 M75B-V192A 0.200312021601484 G99B-I104B 0.200009289338808 R64B-Y160B 0.199883979573421 G31B-N61B 0.199717899510606 I70B-T79B 0.198951445661308 G27A-N148A 0.198223582537264 P102A-Y160A 0.197762005637069 T79B-L89B 0.197750786355818 G159B-I69A 0.19751874046169 I69A-G159A 0.197081613466481 M107A-A150A 0.196406259092682 T156B-I70A 0.195988942635837 F25A-V98A 0.195460109852942 I93B-G165B 0.194905490025502 V34A-I59A 0.194815515845393 E109A-A150A 0.194727306473705 T20A-I104A 0.194386256422673 F68B-M163B 0.194233517901837 T97B-L154B 0.193417332105355 G24A-P33A 0.193390986889717 Y160B-G164A 0.193366421383763 L72B-V94B 0.193339729518211 V94B-G164B 0.193221549480719 V22A-L154A 0.193157540515762 P77B-N190A 0.192901784619607 M163B-M163A 0.192882313503449 A101A-E109A 0.191199281994756 G99B-S161B 0.190041745395519 L37A-E109A 0.189887397025622 G35A-N49A 0.189680348990233 G27A-A150A 0.189615178849904 R64B-G99B 0.189215530222299 G159B-G99A 0.189042663816508 T191A-L199A 0.187231203519561 L199B-S65A 0.187135608931162 P95A-L157A 0.186780514568287 G164B-G164A 0.185247113408654 S65B-N190A 0.184490276095654 G84B-L89B 0.184410015954771 I66A-A100A 0.184222972870529 E15A-Y160A 0.183809609521326 G27B-I152B 0.183726971358463 F25A-A100A 0.183277267218555 T16A-T153A 0.183061796109584 I66B-G99B 0.182137670302207 F26A-T153A 0.181943471178921 F26B-T153B 0.181834812172249 Y160B-S65A 0.181444471122533 L89B-G164B 0.180537969256674 V200B-S65A 0.180482984096794 S65B-S161A 0.180427276353393 L17B-G165B 0.179655500807497 I76B-A186A 0.178331119607516 A100B-T151B 0.178145495642419 G24B-I104B 0.177095188729655 S23B-G99B 0.176192529809533 P67B-T156A 0.176079578890069 L71A-S161A 0.174942249243873 N49A-E109A 0.174651906945509 M163A-V200A 0.174380610279199 L72A-G99A 0.174335855503887 L193B-G99A 0.173739039588387 N185A-N190A 0.173656893566956 T16A-T97A 0.173651757072124 S23A-Y160A 0.173000581361992 M75B-G88B 0.172776609799013 V13A-V192A 0.172560174080873 I152B-G159B 0.171951165258116 I59B-P102B 0.171809316001898 S65B-Y160A 0.171776927105706 V13A-V188A 0.171661906892538 L96A-G165A 0.171327519546948 L199A-G207A 0.170810307684036 R11A-A18A 0.170492631006573 G27A-G207A 0.170205057498097 T156B-I198B 0.169905264454031 S65B-M163A 0.169482787859159 T20A-L154A 0.169282513420693 T156B-P67A 0.168676643490717 I69B-T97B 0.168564138939219 G12B-M163B 0.168561733625734 A18B-F25B 0.168402374990368 T20A-G207A 0.168099742614016 F63B-V194A 0.167833376671561 E15A-G165A 0.167691533312064 V94B-Y160B 0.167004975932937 G24B-A101B 0.166191152967941 V158B-A166B 0.16611779667587 I59B-I104B 0.165608890211769 A166B-V192B 0.165409948728404 A162B-G159A 0.165388400318552 S65B-L196A 0.165144371890912 V22B-V94B 0.164938583662167 V40A-A58A 0.164729071286054 A150B-G159B 0.164678984113344 T79B-G99B 0.164581867803314 I155A-A162A 0.163841528439115 W74B-L196A 0.16331939541898 A162B-G99A 0.162705883813496 M163B-L193B 0.162619064692412 M19A-L96A 0.162615418964894 G24B-A92B 0.162342843485103 I66B-W74B 0.161101710668225 T20A-A92A 0.160705945981507 T20A-V158A 0.160603670820861 L89B-V94B 0.159862203950847 I76B-I82B 0.159398991368319 M163A-L193A 0.159394762088153 I155B-A162B 0.158554574586567 R64B-A101B 0.158345505818706 S65B-L157A 0.158155479682148 F68B-V158A 0.157840096973798 E15B-Y160B 0.157673651361446 M163B-V192B 0.157643806902428 G164B-G165A 0.157416681884309 F68A-T97A 0.157052769143863 Y39A-S57A 0.156992487717929 S23B-T97B 0.156853650851597 G35A-R106A 0.156739599093835 T153A-A206A 0.156582554382939 P95B-P102B 0.156297826562356 I104A-I152A 0.156276313057007 I62B-I155A 0.155555225706292 I155B-A206B 0.155502252000603 T55A-P102A 0.154457701743384 G12A-L193A 0.154381061562382 L154A-Q204A 0.154030620437484 I62B-I104B 0.153579917726323 V34A-V56A 0.153510997531731 A100A-I152A 0.15349529854322 G35A-F103A 0.153240575065872 V94A-S161A 0.152868539937304 G12A-M189A 0.152735604078487 T79B-G164B 0.152366648706503 G27B-A150B 0.152357904026515 I69B-T156A 0.151983850768533 I198B-I62A 0.15162749605874 M19B-V158B 0.15135479331514 A92A-G99A 0.151345552489436 V60B-I104B 0.151297262813908 V158B-I203B 0.151150559481009 L193B-P67A 0.150655061729697 L196B-P67A 0.15061698745021 G99A-A105A 0.150593049675506 I30B-A101B 0.150370413152281 I62B-I198A 0.150090863985244 I70A-A92A 0.150086844954153 G27B-A101B 0.149818037986723 T97A-L154A 0.149420839167874 I59A-A105A 0.148956888232266 P67B-P95B 0.148861302966112 T16A-T191A 0.148393639930784 L37A-N61A 0.148357486224238 A92A-M163A 0.148249157885087 I70B-M75B 0.147159416770624 I30A-E109A 0.146867829761479 T151B-Q204B 0.146787379826849 G12A-G164A 0.14653461871172 I69A-G99A 0.146343422820424 Y160B-V197B 0.146294693182717 P67B-L154A 0.145983073731353 M75B-S161B 0.145657304094658 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