[Fri Aug 26 16:37:50 2016] >Input file: TMA0A024R730S2D.pdb >TM segments: C517-545_C548-564_C640-654 MAIDEN score = -6.7190 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 ----------- ---------------- I530C-K536C 1.43225890242989 C524C-R555C 1.19606617949518 I521C-L526C 1.14627067544045 S642C-C647C 1.13256393401694 L526C-Q552C 1.03759333025007 F533C-I539C 0.666683427050532 I521C-R560C 0.566839519150314 D648C-F653C 0.544626413773091 L526C-I556C 0.442226842315518 I530C-E535C 0.408071054961495 E528C-K536C 0.392598303356821 C524C-L558C 0.371841540596064 K532C-Q552C 0.364631863367218 V520C-R560C 0.359856748186151 C524C-G551C 0.35792846509021 D529C-Q552C 0.34830583904362 E527C-K536C 0.346697950858511 C524C-I556C 0.327366125524888 D529C-R553C 0.322988957348258 V520C-V562C 0.320386892802139 G545C-A554C 0.30648908783093 R553C-L558C 0.301256221670223 G544C-S549C 0.298882568509607 Q525C-K532C 0.294635802160579 R518C-D537C 0.278002889702814 V520C-D537C 0.266140825133631 V520C-Y563C 0.261803699080291 Y517C-Y563C 0.261417351914012 S531C-N538C 0.261294210781477 C524C-K564C 0.260761503439697 Q525C-S557C 0.256931949476563 V520C-D529C 0.244592489944029 E527C-Q552C 0.243444960762341 K643C-Q652C 0.242133331656549 Q525C-Y563C 0.241018777061155 G545C-R553C 0.227645243729695 E535C-V540C 0.225586828678138 G544C-Q552C 0.224763788020018 Y517C-K522C 0.213399766680412 L526C-R555C 0.211870050149552 K522C-R555C 0.206360112892256 G646C-Q652C 0.203533448152748 K532C-N538C 0.203210717413501 V520C-S557C 0.20264752811401 D529C-V540C 0.200855097134701 C647C-Q652C 0.20062764379688 K522C-D537C 0.199238973509873 D529C-G551C 0.198878789603008 K522C-R560C 0.197663518303907 V520C-L558C 0.195658822386584 I521C-A559C 0.191239011727411 K532C-L548C 0.182650171183787 R518C-K536C 0.181570499207683 E528C-N538C 0.176509346975098 S549C-S654C 0.167826143979322 F640C-G646C 0.165595000764167 K536C-L541C 0.165408091445963 D537C-R553C 0.162564847374373 I539C-I556C 0.162358508396822 F533C-Q552C 0.16124241380897 I530C-N538C 0.158909615817723 A523C-I556C 0.158726939133611 K522C-E528C 0.158147244568324 A534C-I539C 0.157620501164674 A523C-R560C 0.149435875228724 K532C-S549C 0.145966688279971 V520C-Q525C 0.144635985227212 E528C-S549C 0.144108526785326 S519C-K564C 0.138643177048136 I521C-K536C 0.133822147702358 Q525C-I556C 0.132033813797438 K643C-D651C 0.130097729418731 S519C-E528C 0.128295783222751 S641C-D648C 0.125456045526364 K522C-L558C 0.12041908996006 D648C-S654C 0.119871893429278 E543C-S549C 0.119704906573711 G544C-G550C 0.119551816733541 L526C-Y563C 0.118919481766782 A554C-A561C 0.118691953675823 A523C-A561C 0.112376539561798 E528C-E535C 0.111197208277335 G544C-S557C 0.111045263351468 E528C-G551C 0.110534261073675 I521C-R555C 0.109791516946525 C524C-I530C 0.109502325267537 L548C-A559C 0.107275067531812 E527C-N538C 0.106741893027548 S519C-L558C 0.105689905824642 G545C-G551C 0.105229160034345 R553C-A561C 0.104448314180318 D537C-R555C 0.102239380082118 R518C-E528C 0.102047124056988 V520C-A559C 0.100825408080232 Q525C-V562C 0.100781257613851 S519C-R560C 0.0975811204540191 S519C-A561C 0.0972959598959529 C524C-S531C 0.0972069412089676 G550C-S654C 0.0971954294256405 E528C-Q552C 0.0963499422700558 L526C-S557C 0.0934784972727569 I530C-V540C 0.0900010219186047 F640C-M645C 0.0893071660088598 C524C-A561C 0.0889694722894265 A534C-V540C 0.0889470396966984 Q525C-R560C 0.0886119630443902 R518C-V562C 0.0880861538144706 A523C-S557C 0.0880111998823914 L526C-V562C 0.0871963273440444 Q525C-R555C 0.0871411440810375 E527C-E535C 0.0870803103898183 R518C-K564C 0.0848489825228791 R553C-R560C 0.0841774731824161 E528C-I556C 0.0825261424925485 G542C-G550C 0.0820342176628188 Q525C-S549C 0.0809025770683762 Q525C-G550C 0.0802235802397535 C524C-S549C 0.0798479401512901 I539C-Q552C 0.0780276523314827 G542C-Q552C 0.075389522959926 F640C-D648C 0.0748018187860691 D529C-K536C 0.0713850074856759 L548C-L558C 0.0709779358902729 A523C-G551C 0.0705225851938152 I521C-S557C 0.0700768683324198 Y517C-A561C 0.0686443100487053 L526C-S549C 0.0656416143321494 R518C-Q525C 0.0654747473107116 E527C-R560C 0.0640457164308046 Y517C-D537C 0.0613180197618224 S557C-V562C 0.0599953144347101 L526C-I539C 0.0583911367970691 I530C-A559C 0.0568933503110189 I521C-S531C 0.0566449705863564 S519C-D529C 0.0563711548021943 A523C-A554C 0.0558042305424336 L526C-R560C 0.0524284298838449 K522C-S531C 0.0521935028855309 S642C-D651C 0.0519088401409629 G544C-I556C 0.0494928320019907 L548C-S557C 0.0494085598022747 A534C-L541C 0.0484483869985435 Q525C-A554C 0.0479601672935098 D537C-S557C 0.0468341238793184 L541C-S549C 0.0440654873723132 M645C-F650C 0.0439484176218841 G550C-F653C 0.0437040543354623 I530C-S549C 0.0434549230046972 G545C-S557C 0.0419576936984334 C524C-Q552C 0.0412646573569257 I556C-K564C 0.0409006919524382 L541C-S557C 0.039783358721758 L558C-Y563C 0.0391453277909326 V520C-I530C 0.0383225978997288 G544C-G551C 0.0374547462187333 K522C-S557C 0.036835038998551 G542C-S549C 0.0366836543671047 S519C-I556C 0.0365283192082142 I521C-Q552C 0.0364227021128096 A554C-V562C 0.0363855973166913 R518C-N538C 0.0362020926485234 R555C-R560C 0.0358030635707671 D529C-I539C 0.0351266275587596 L541C-G550C 0.0318945034881315 C524C-R560C 0.0283853484736838 G544C-A554C 0.0282338866477678 L644C-S649C 0.0280711289763656 G542C-S557C 0.0275666538237198 I521C-E527C 0.0263379044992016 D529C-N538C 0.0253213202389571 C524C-V562C 0.0249409276124939 G646C-F653C 0.0248494800178172 K522C-V562C 0.0247592745018254 K522C-Y563C 0.024247965123541 Y517C-L558C 0.0237242270749602 E527C-G551C 0.0230998347375539 D537C-I556C 0.0220311921486043 F533C-S549C 0.0209527946690002 G551C-S654C 0.019790174964851 V520C-E528C 0.0182677583245633 E528C-A534C 0.0180822546970747 D529C-S557C 0.0173954437744728 S519C-D537C 0.0153365267432041 K643C-F650C 0.0153128669851152 E528C-F533C 0.0139180788098594 R518C-S531C 0.0138318842422223 Y517C-K536C 0.0135672085457001 V540C-R553C 0.0133834616510784 Y517C-Q525C 0.0124878645681212 G550C-A559C 0.0107837681505871 E528C-R555C 0.00894789955004494 K522C-A559C 0.00715099359949339 Y517C-E527C 0.00534498176808684 I530C-R560C 0.00503526108032393 E543C-L548C 0.00385988072011134 I521C-A561C 0.00270479109698643 S531C-Q552C 0.000507997835192509 G551C-A559C -0.000432452478266399 E543C-I556C -0.00114880927923 I521C-K564C -0.00153493285746853 G545C-I556C -0.00185228056346576 S519C-E527C -0.00303719256084745 G550C-L558C -0.00319563526438227 A523C-I530C -0.00419974741182516 R518C-A523C -0.00593712184482342 S557C-K564C -0.00714341215106584 R518C-L526C -0.00826020687455475 R518C-A561C -0.0088976415822053 L526C-G550C -0.00915188549299817 E543C-R553C -0.00956575857394676 Q525C-I530C -0.0101379745572183 L548C-R553C -0.0116728955033021 R518C-R555C -0.0120916635947634 R518C-I556C -0.012896720423464 E543C-G550C -0.0135867656626356 G550C-R555C -0.0147794083833657 E527C-R555C -0.0149765252504075 G551C-F653C -0.0158445649032779 S642C-Q652C -0.0163850519255242 E527C-S557C -0.0168132040857411 E535C-L541C -0.0168513410091754 I521C-D537C -0.0200517511098783 K522C-I556C -0.0200591627123647 E527C-Y563C -0.0219178583651578 D537C-A559C -0.0220489548495517 A523C-E528C -0.0225706720568457 D529C-A534C -0.0230382371787279 I521C-D529C -0.023065578228719 E543C-Q552C -0.0232617372741059 G542C-R553C -0.0242327062663255 K643C-D648C -0.024241047225483 D529C-S549C -0.0244577117700377 I530C-G551C -0.024760170323761 G545C-Q552C -0.0250657044022369 Y517C-R555C -0.0259960578858052 L526C-N538C -0.0266436381068242 V520C-A554C -0.0269004078461883 I521C-R553C -0.0285651497131094 V540C-I556C -0.0300934461685247 V520C-S531C -0.0305903686249271 G544C-R553C -0.0325464378296756 I530C-R555C -0.0325717826482289 D537C-G542C -0.0330088673552669 E527C-A554C -0.0337178490577071 I539C-S549C -0.0341819036751122 D529C-R555C -0.0346277056315429 Y517C-R560C -0.0346674989823059 S531C-I556C -0.03830550654502 V540C-S549C -0.0405576755643575 E527C-K532C -0.0407792879632911 Q525C-G551C -0.0418345739916204 D537C-R560C -0.0428304109182793 I530C-A554C -0.0432486728214219 F640C-S649C -0.04441701335854 I530C-S557C -0.0444194113837906 G542C-I556C -0.0459290990190908 S549C-R555C -0.0459546609493275 A534C-L548C -0.0460064070956268 L526C-F533C -0.0468585489155888 K532C-L541C -0.0469013017333166 E543C-A554C -0.0469343754254643 A523C-Q552C -0.0480165387641671 I530C-R553C -0.0482469798888434 Q552C-R560C -0.0501210601828748 R518C-E527C -0.0502674858458387 G545C-R555C -0.0506822430996827 D537C-Q552C -0.0523507973366613 I521C-A554C -0.052350942025611 S519C-R555C -0.0527906369452463 L541C-I556C -0.0529673801732353 S641C-S649C -0.0533813404948433 Q552C-A559C -0.0541613160177237 L526C-A534C -0.0547283941836465 I521C-E528C -0.0549367913770737 V520C-Q552C -0.0568049217466005 V540C-Q552C -0.0569758538542145 A523C-Y563C -0.0576481481500231 E527C-A559C -0.0582732491350384 E543C-S557C -0.0614171681433486 G544C-R555C -0.0615859396025256 D529C-E535C -0.0619620726029009 S642C-D648C -0.0631395389264409 R518C-C524C -0.0631665865546331 E528C-L548C -0.0632553071707398 S642C-F650C -0.0632700819255156 Y517C-S531C -0.0653658743803031 D529C-G550C -0.0655683346837757 Q525C-L548C -0.0657796040773686 I530C-L548C -0.0658191891180744 E528C-A554C -0.0659472926643989 A523C-D529C -0.0660414829420328 E527C-A534C -0.0669714962703336 E528C-D537C -0.0671761300428499 Q525C-A559C -0.0675883562433668 Y517C-N538C -0.0678139286486248 S519C-Q525C -0.0678364976845964 E528C-A559C -0.0685290981355617 L541C-R560C -0.0696941686527659 R518C-Y563C -0.0721519924107317 K522C-E527C -0.0725667313267331 Q525C-R553C -0.0727964286767905 S531C-D537C -0.0734427235817325 D529C-A559C -0.0740287069895365 S549C-S557C -0.0749027348071611 F533C-R553C -0.0753228051449913 S641C-C647C -0.0753313329682923 Q525C-A561C -0.0754190248838746 I530C-I556C -0.0772253770486921 D529C-A554C -0.0781679982145145 E528C-R553C -0.0788882384926355 E527C-R553C -0.0802811887868002 K532C-I556C -0.0815905134284263 R518C-R560C -0.0822478290734274 K522C-Q552C -0.0834323177921492 S649C-S654C -0.0849395187752604 Q552C-A561C -0.0851878092453191 S531C-V540C -0.0851902751161839 Y517C-E528C -0.0852957717155638 F533C-L548C -0.0854950331920956 D529C-L541C -0.0855735829836379 D537C-L548C -0.0862308151751492 I539C-L548C -0.0871728621074686 V520C-E527C -0.0883612116240231 D537C-Y563C -0.089444415732439 S531C-R555C -0.0911327795973826 F533C-N538C -0.0917466243519911 L541C-R555C -0.0931792351676748 Q525C-D537C -0.0932126303222455 A559C-K564C -0.0956710322424361 Q552C-S557C -0.0969230071499301 D529C-I556C -0.0973181748434646 V540C-G545C -0.0976348647084642 F533C-I556C -0.0984498125828375 L526C-G551C -0.099921591239974 Y517C-A523C -0.10271780398959 I521C-I556C -0.103409013174445 R518C-I530C -0.104098127901094 Q525C-S531C -0.104452810587608 I539C-G545C -0.107288183223503 N538C-I556C -0.109783996237407 S519C-I530C -0.110607812524823 Q525C-F533C -0.1119653066773 F640C-C647C -0.112241393215257 A554C-Y563C -0.113178755123701 I521C-N538C -0.113429495045437 C647C-F653C -0.114221519750067 R518C-D529C -0.114926599600778 K536C-I556C -0.115657559461643 E527C-I539C -0.115893704135359 E535C-L548C -0.117053672581953 I521C-K532C -0.120118174816666 I521C-G551C -0.120398629381101 E527C-D537C -0.120602715866901 R555C-Y563C -0.12515066456864 L541C-L548C -0.12706429537732 E528C-I539C -0.12921449545915 I521C-F533C -0.131676043365884 G551C-R560C -0.133197579893565 L526C-A561C -0.13349300634775 S519C-Y563C -0.133538754791549 K532C-G551C -0.134219435657169 A523C-K564C -0.135241110605458 G646C-D651C -0.136719374086565 I530C-I539C -0.139810561959605 I530C-L541C -0.14012849696657 Y517C-S557C -0.14107998190407 E527C-L558C -0.142298034168652 Y517C-I530C -0.144598222500261 I556C-Y563C -0.146063979022384 L541C-Q552C -0.146489801598505 Y517C-L526C -0.148055656807063 K643C-S649C -0.148285609176776 K532C-V540C -0.148588487642091 G550C-S557C -0.149323296005584 Q525C-Q552C -0.15013312787713 G551C-S557C -0.150222589667159 E527C-L548C -0.151556382173018 S549C-I556C -0.152226810671203 K522C-A561C -0.153590057044619 V520C-R555C -0.153782310994086 K522C-A554C -0.153990139673252 E527C-I556C -0.154855351501108 G551C-I556C -0.155470923662456 S531C-L548C -0.157669117948092 I521C-I530C -0.157841401855714 F533C-L541C -0.159488863664301 C524C-A559C -0.160436552418303 S557C-Y563C -0.160706470851864 L526C-K532C -0.16095392503538 R555C-V562C -0.161861580204203 L541C-A554C -0.162722699817296 R518C-L558C -0.165971998741432 L526C-E535C -0.166102366050399 G551C-L558C -0.166335952071064 D529C-D537C -0.167657393081045 N538C-L548C -0.168574719624142 K522C-D529C -0.169604257363793 Y517C-I556C -0.170145666287252 I539C-R553C -0.170781850697509 R555C-A561C -0.17206039187557 S549C-L558C -0.172460613364464 K532C-D537C -0.173776054397101 S531C-I539C -0.178002898805872 A554C-R560C -0.178096487483879 D529C-L558C -0.179752977926041 R555C-K564C -0.18011556802758 L526C-K536C -0.180531363004635 I521C-Y563C -0.180817857413028 A523C-A559C -0.180996762119479 I530C-Q552C -0.182072581922695 L541C-R553C -0.183235914872581 S519C-C524C -0.183700525125527 K536C-L548C -0.185481855294494 S519C-L526C -0.188385066551783 L548C-R555C -0.188774255103472 V520C-L526C -0.189368472284198 L526C-L558C -0.189444906798013 R553C-A559C -0.192894336799639 K522C-K532C -0.195629713950736 A523C-V562C -0.196090159850495 C524C-A554C -0.202043044015835 V520C-R553C -0.203649087038677 V520C-K564C -0.205975053157027 K522C-K536C -0.208321825763846 A523C-R555C -0.209836751860482 L526C-R553C -0.211453244793178 V540C-L548C -0.212574396689835 L526C-L548C -0.2180619497093 F533C-V540C -0.222016029840264 Y517C-C524C -0.22475725759722 S519C-A559C -0.226541591958404 Q525C-L558C -0.226568707883586 C524C-D537C -0.227028322002781 Y517C-K564C -0.230101972773329 C524C-Y563C -0.23376764464887 L558C-K564C -0.235187901203931 Q525C-K536C -0.238827346347102 G550C-I556C -0.23964856612364 C524C-G550C -0.244726281184223 R518C-A559C -0.245502852135155 A523C-L558C -0.247781535805497 K536C-Q552C -0.250945770080043 D529C-L548C -0.251016613898844 L526C-D537C -0.25614253742643 S641C-G646C -0.263833810336842 R553C-V562C -0.268888929568551 L526C-A554C -0.274654513097449 L526C-A559C -0.2791935186183 Y517C-D529C -0.280926584769372 S642C-S649C -0.295449303087638 Y517C-A559C -0.296314696702132 S519C-V562C -0.304214612244429 L548C-A554C -0.312965469202509 G545C-G550C -0.320305030030982 I521C-L558C -0.332345495348083 K522C-I530C -0.347885205541581 G542C-L548C -0.348850392073351 L526C-S531C -0.354680569985559 Y517C-V562C -0.356406553658417 I530C-D537C -0.359298643127808 K532C-I539C -0.36002685362526 C524C-D529C -0.362239855155251 V520C-A561C -0.371511150965625 V520C-I556C -0.379551475262442 I556C-V562C -0.400053334497947 A554C-A559C -0.404844994448764 I521C-V562C -0.416380664427317 L548C-I556C -0.417105095321983 I556C-A561C -0.430014650733982 E527C-F533C -0.466718759743766 Q552C-L558C -0.513037001072655 S549C-A554C -0.543617043705375 S531C-K536C -0.550225442252907 C524C-S557C -0.569036603737376 C524C-R553C -0.585062417708253