[Wed Aug 24 17:45:02 2016] >Input file: TM3TT1ATD.pdb >TM segments: A21-32_A40-56_A92-126_A166-179_A202-216_A244-261_A286-301_A335-360_A382-394_A402-421_A451-465_A486-499 MAIDEN score = -117.9710 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 ----------- ---------------- K121A-L126A 2.97705517256566 I106A-V386A 1.57053407466346 I106A-A390A 1.44329645986735 V54A-T456A 1.19201693737489 P101A-I359A 1.15647303682441 I100A-A407A 1.14190509752941 A50A-V248A 1.13956929550817 E287A-I292A 1.11275554200103 I245A-L463A 0.97784664929581 V95A-F494A 0.969730160349696 F122A-F342A 0.961980010044381 V210A-I297A 0.951895128247255 I100A-F259A 0.9455640936573 V54A-F459A 0.935074965290635 V54A-F252A 0.921897091626871 W99A-F494A 0.917236939818325 L123A-F342A 0.905940727610538 L205A-L347A 0.890574991091302 L116A-F349A 0.872823707517909 F51A-I56A 0.860794281064241 P101A-A261A 0.860290787090827 F252A-L257A 0.845118640991951 L205A-W344A 0.823924410973869 L417A-L460A 0.822459713827343 V213A-I297A 0.815469204088899 L53A-I455A 0.810622722484687 T115A-L348A 0.806774811652833 L209A-I297A 0.803996006226947 W114A-A168A 0.802981812418921 L25A-L348A 0.798271743245902 L202A-L347A 0.792866255873372 F51A-I251A 0.788294069799779 Y47A-I251A 0.786674431642155 V23A-E290A 0.739131749783202 W99A-A407A 0.737968829455347 L102A-I359A 0.733666792792098 L257A-V412A 0.730438937997925 F122A-F339A 0.72243222215695 F31A-V291A 0.718534262015918 W114A-F172A 0.706041453070206 I100A-G408A 0.693445023321487 T115A-F346A 0.692606749641746 V413A-L464A 0.690391219734515 V103A-D404A 0.682116153083452 L202A-A351A 0.677640188864575 L216A-A301A 0.672359427398146 F51A-V248A 0.672119005677171 L205A-L343A 0.670537230158312 L417A-A461A 0.668960305706909 F28A-E290A 0.667647377234165 V413A-L460A 0.65986288603737 I92A-T498A 0.656454555107506 A206A-L347A 0.654859931396815 N27A-V291A 0.654490142884733 F118A-F345A 0.652871148121066 M176A-A383A 0.652712745024794 V23A-T254A 0.647719244838658 Y110A-A390A 0.635682021652439 V109A-F172A 0.633516396640292 F31A-G294A 0.626129091564464 G97A-F415A 0.62510675255436 F259A-V412A 0.611759346001402 F405A-I410A 0.605473139549019 F31A-Q250A 0.603987104432167 I106A-F387A 0.600504727088899 A119A-W344A 0.585934755280874 P101A-G260A 0.576719222141639 A22A-L255A 0.572057614480094 W114A-V171A 0.562911479380853 M403A-T486A 0.561595914615117 I100A-V412A 0.559745551107434 F31A-G295A 0.559264622077479 F96A-F415A 0.554621132622322 M360A-T382A 0.554277680762157 F214A-A301A 0.551707628706063 V103A-I490A 0.551574551780545 F259A-I359A 0.550315699449624 V95A-L497A 0.548875118595376 G24A-S355A 0.54790866137764 L209A-W344A 0.54702090973587 P101A-F259A 0.546008390097579 P32A-G294A 0.545734749243405 F28A-I297A 0.54552897001557 F28A-L293A 0.542052964326072 L202A-F350A 0.534964421144567 E112A-L348A 0.529111251602965 V210A-L293A 0.528532206430411 F203A-A289A 0.527623154047681 F414A-L460A 0.519141834566747 F31A-E290A 0.51137123353121 S113A-F172A 0.511186565457729 V109A-T175A 0.511060652018076 V23A-A289A 0.508930418617524 I100A-G411A 0.505809384706723 L123A-F339A 0.498151696492908 S113A-I174A 0.49450619762951 F43A-A247A 0.49098969834386 E290A-G295A 0.490223316337739 Y107A-D404A 0.487176729172029 F118A-F342A 0.482052882425274 N21A-I357A 0.477063809414734 F108A-D404A 0.473167232547497 V291A-S296A 0.472794140214075 L53A-V451A 0.462167494806654 V23A-S355A 0.461619676539517 V207A-L293A 0.458615720966962 S113A-F349A 0.456496961554242 I410A-L464A 0.454724361873729 L116A-F346A 0.453134175165458 I421A-P457A 0.452301303530745 N21A-I359A 0.451124137961357 I100A-G260A 0.450808840058604 L255A-N286A 0.450613856462838 F214A-I297A 0.44576118035708 G24A-T254A 0.445760586102835 Y107A-V393A 0.445754352101524 A22A-S355A 0.440769015363726 F414A-L464A 0.435709158950197 L420A-P457A 0.431919717494693 N179A-L353A 0.427422865821893 L420A-R453A 0.42738977801374 A261A-I359A 0.42692677464786 L116A-F345A 0.423411177546986 Y110A-F172A 0.419859396992504 F252A-V413A 0.408515269808996 A105A-V386A 0.404430129431343 V413A-L463A 0.401991209945966 A119A-L343A 0.401706119571784 L257A-V413A 0.401445568405252 V54A-L460A 0.400052103345442 I106A-S389A 0.398084826453152 G117A-F167A 0.397989929601652 E112A-F349A 0.397071685029627 A105A-I359A 0.395602450764944 F96A-F494A 0.395390227197319 I106A-M360A 0.394917469758045 K121A-F342A 0.392468077414198 V103A-W406A 0.390875204078684 L417A-P457A 0.388140498980295 V23A-L255A 0.384923487510513 V109A-L353A 0.38481173477684 G258A-F414A 0.383449096037413 L29A-S298A 0.37973024508306 F108A-S356A 0.375046755378347 L25A-R30A 0.3738782890648 P32A-E287A 0.372728229702268 V207A-R212A 0.369893738328625 A206A-W344A 0.365010537004865 A22A-A288A 0.364929958537499 E112A-L353A 0.362651278463368 V248A-L463A 0.361641169969417 F405A-G411A 0.36012949725432 A50A-I251A 0.358135195334573 V104A-Y489A 0.356719500702255 A288A-L293A 0.355966619337295 Y110A-T175A 0.35435189917783 F259A-F415A 0.353958268131718 L116A-T175A 0.351837926250569 L102A-M360A 0.348853541826008 L53A-M452A 0.345397429750384 A50A-W244A 0.341156484460798 G117A-A168A 0.339739915519134 F203A-E287A 0.339149457768389 L98A-L497A 0.338797027168519 E419A-T456A 0.338650354805607 G55A-L255A 0.335689734496706 L420A-M452A 0.334522460115554 A351A-A358A 0.33164312768119 A22A-G55A 0.330339993541265 V109A-G352A 0.329789799213778 I120A-F342A 0.329734154808576 F214A-P300A 0.328930190616385 G40A-A247A 0.324343879441849 L392A-T486A 0.321004601628522 E112A-F177A 0.320342998702188 S113A-A168A 0.318364987549767 L123A-T338A 0.317809205419136 S356A-A383A 0.315637459401773 G260A-I359A 0.315558827448841 L25A-E112A 0.314144226851901 F122A-G341A 0.313325187949981 M403A-R487A 0.312661750270983 L29A-E290A 0.311054912260424 P101A-A407A 0.310611147159754 A105A-M360A 0.310460372013749 G97A-F259A 0.308693588798339 V23A-E287A 0.308071174280363 G26A-E287A 0.30503947619371 G294A-A351A 0.304125692215129 N27A-P32A 0.303387956602214 G24A-A358A 0.303039668276361 P101A-W406A 0.302961734469588 Y47A-W244A 0.302151322894641 V23A-N286A 0.301761704857016 G294A-A301A 0.301614561941257 M403A-G408A 0.300518035024738 L98A-G260A 0.299661077998985 S389A-G492A 0.299110962573102 I100A-M403A 0.298081700224207 V103A-L493A 0.29769483465916 W99A-L493A 0.296976013386398 S113A-A351A 0.29529512815698 F108A-E402A 0.294722036905059 N21A-P101A 0.293367061549751 W99A-L497A 0.292959493817231 I106A-V393A 0.292177415598712 W114A-F349A 0.291733710300402 G26A-S355A 0.291724083746075 D404A-T409A 0.291395186305114 V104A-I359A 0.291222940901523 S256A-A261A 0.289500035499464 G26A-S298A 0.288936054082111 G336A-L343A 0.288610576618792 L93A-G411A 0.288564991224121 G55A-N286A 0.286709103838058 V109A-S356A 0.282451104731414 L93A-G416A 0.282378097342838 G260A-A407A 0.281554100271562 F28A-G295A 0.280994044235744 G125A-L340A 0.279933293529211 A105A-A261A 0.278636800927675 L205A-G341A 0.277964214733753 R212A-L340A 0.277602492575331 L98A-G411A 0.275243501237007 L116A-V171A 0.274041477788616 L205A-G294A 0.27327430220776 L209A-L343A 0.270684855690994 L209A-L340A 0.266930641955776 A261A-G416A 0.265942938880973 S113A-N179A 0.262975437778388 Y47A-Q250A 0.262004915301684 G117A-L348A 0.261280953206643 G294A-W344A 0.261107110563883 P32A-S298A 0.260052512639243 F51A-E290A 0.25930481192328 L102A-V386A 0.2587989897297 N21A-G26A 0.25842111377374 S113A-V171A 0.257816716749963 W99A-T382A 0.257675933597035 G117A-G125A 0.25674357858918 P32A-I299A 0.256600830387694 L93A-T418A 0.25496826975087 G26A-F252A 0.254852757067437 R30A-A246A 0.2529489279924 G55A-I251A 0.251290689197462 Q250A-E287A 0.251093564960818 G416A-A458A 0.251047296348894 L216A-G337A 0.250772426052093 W99A-G258A 0.249542382612654 M403A-I490A 0.249245932266984 P46A-V248A 0.248620078075682 L202A-G294A 0.247517137426291 N21A-G260A 0.247433192069833 G94A-F259A 0.246673812481062 L25A-P32A 0.246586363740023 T254A-T354A 0.246417016551752 G24A-Q250A 0.24594293414538 G24A-L348A 0.244166247003569 L29A-G294A 0.243358438579374 Y110A-V393A 0.243086850799239 G125A-T338A 0.241907110289331 G249A-G411A 0.241160831940876 N27A-S296A 0.24101613719293 G24A-E287A 0.238457691918427 L123A-G336A 0.237465572501192 L25A-E290A 0.237012087723148 N27A-Q250A 0.236983560759848 F28A-Q250A 0.235618225617611 N27A-E112A 0.234566267725859 F122A-T338A 0.23175336670892 G117A-L166A 0.23099034971774 F28A-S298A 0.230254040193225 M44A-Q250A 0.229716234206962 G117A-L173A 0.228727379245397 A50A-F253A 0.227866226156467 I251A-V291A 0.226899552094763 G24A-F108A 0.226750645156371 V54A-V248A 0.226695811041289 I251A-V413A 0.226382173096942 V393A-I490A 0.225574718071094 A390A-Y489A 0.225342689300889 L52A-P457A 0.224978220984367 M44A-V54A 0.223969982868034 V54A-I251A 0.22378673457994 L98A-T382A 0.22355764539387 R30A-A247A 0.223079117272488 Y47A-F459A 0.22249721033248 L116A-K121A 0.222146304904986 A206A-I297A 0.221996325583399 A22A-G258A 0.221840783531286 G40A-I299A 0.221614468724108 R30A-E290A 0.219378649585981 Q250A-G408A 0.218742781145775 P101A-L257A 0.218393545836392 F108A-A358A 0.218109894415742 G260A-V413A 0.217736169211431 L29A-T254A 0.21768292402804 V213A-P300A 0.217539267808363 A119A-F346A 0.217288951091936 F28A-G352A 0.215869066709344 V109A-M403A 0.214301304567804 V248A-F459A 0.214054801686916 F96A-G408A 0.211494649205069 F43A-V291A 0.211322891495372 G249A-L463A 0.20975991782805 M176A-F387A 0.208975843550981 V213A-G341A 0.208261231168486 G26A-G408A 0.208085655589295 I100A-G416A 0.207288006852754 V95A-T498A 0.206930240249636 G97A-V104A 0.20668787077449 I111A-T354A 0.204909436456048 V54A-I455A 0.204621988314143 V207A-G295A 0.204516271236794 I48A-G55A 0.202314547631734 V104A-G260A 0.201720682748595 N21A-G258A 0.201544376189922 Y107A-M403A 0.201465997526373 E287A-L293A 0.200248762354211 S256A-N286A 0.19912974686418 T418A-L464A 0.198892581259093 M452A-P457A 0.198862781274237 E402A-R487A 0.19881524233264 P101A-G352A 0.198658326528456 A105A-F388A 0.198628345845176 T115A-F345A 0.198275653981473 T254A-G352A 0.19800872993483 G249A-P457A 0.196706593619582 L173A-H391A 0.196224607478246 I245A-T456A 0.196059792579828 A50A-E287A 0.195368903069573 T418A-P457A 0.194992981979723 G416A-L460A 0.194665890955696 P32A-G249A 0.194035156197394 V103A-H391A 0.193807268854981 V213A-S296A 0.192787292860578 V54A-F253A 0.192750237863978 F108A-A407A 0.192236016462031 N21A-L255A 0.190864361931165 A119A-F342A 0.190798217771035 G117A-I170A 0.190676982982902 L257A-N286A 0.190325930263362 F96A-A261A 0.189375756613223 L53A-V248A 0.188713808664047 G40A-V291A 0.187355033523994 G117A-G341A 0.18649497689128 V103A-M403A 0.186088770597653 F96A-G411A 0.185482629179887 I106A-G408A 0.185304783487958 V103A-S356A 0.184902892344428 Y110A-S355A 0.183377747187972 L209A-G295A 0.18203844255984 A289A-I297A 0.181603329280363 Y107A-E112A 0.181428408589094 R212A-W344A 0.181329907007628 K121A-L340A 0.181036512060147 V95A-M360A 0.18091440017464 V95A-L495A 0.179960387495087 S113A-A390A 0.179954052656438 N21A-F108A 0.179569862010799 A206A-A288A 0.179260297346836 L255A-G408A 0.179086435521202 G258A-L464A 0.17898483281177 G24A-L257A 0.178784428221045 N27A-S298A 0.178719819619934 P32A-P46A 0.178355630542201 G41A-P300A 0.177858011848089 N286A-G295A 0.177686832066613 L347A-S355A 0.177680420573054 S113A-L166A 0.176680474251844 V23A-L202A 0.176563765902325 G55A-V451A 0.176441365011343 L347A-T354A 0.17621357079522 Y47A-G295A 0.175981194899913 V109A-W114A 0.175538743438038 F414A-A461A 0.174610108126391 R30A-D404A 0.174174064427108 N21A-L353A 0.172570176805719 L255A-G416A 0.172159931780753 A206A-L293A 0.171812879870734 L209A-G336A 0.171484867468128 S256A-A407A 0.171217340286978 I204A-W344A 0.171107358326759 T254A-A261A 0.170234675702633 Y107A-S355A 0.170084391945894 E112A-H391A 0.169746295333953 N21A-F252A 0.169630677960976 S298A-L340A 0.169387643749615 A351A-I357A 0.169188311820837 N27A-L293A 0.168883899971661 L215A-G337A 0.168395846960007 T115A-I170A 0.1682615490857 F96A-V413A 0.168141890140842 A335A-G341A 0.167788477251784 P101A-L493A 0.167733721579696 I111A-I174A 0.167501752161726 F28A-V210A 0.166056222909889 I92A-I100A 0.165886112111227 V104A-S256A 0.165458212724404 I359A-G408A 0.16532793800471 G258A-V412A 0.165036293884063 T175A-F350A 0.16494753125347 G125A-L343A 0.164880108639506 A247A-G295A 0.164662704309131 A247A-F459A 0.16447640261401 V104A-I357A 0.164087593998467 A301A-G336A 0.164033631092192 Y107A-Y489A 0.163712989997603 F108A-T115A 0.163548838986579 V213A-L340A 0.163388830326625 I245A-T409A 0.163216747523438 I178A-A383A 0.162015891225901 I421A-A461A 0.161631075402348 M403A-G492A 0.161512835217978 L93A-E419A 0.16137177018401 L205A-S296A 0.161231821486591 F252A-E287A 0.160472898106455 V386A-M403A 0.160392695176083 T115A-I178A 0.160071614869338 D404A-R487A 0.159974587248775 E112A-Y169A 0.159769959458377 G94A-L495A 0.159347817135238 Y110A-M360A 0.159303539194567 M44A-G249A 0.159200121620865 L52A-V451A 0.159074815853806 V104A-M403A 0.159042686935738 F252A-T456A 0.158703138490016 A247A-V462A 0.158464648799868 F108A-S256A 0.157930919506385 V210A-A288A 0.157814284357711 L25A-T254A 0.157810608724984 I120A-W344A 0.157150166770189 V291A-S298A 0.157048273890147 F31A-F51A 0.157000203551856 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