[Wed Nov 23 03:57:54 2016] >Input file: TMC6E9S6E12D.pdb >TM segments: 71-89_ 107-124_ 126-143_ 159-179_ 204-232_ 236-255_ 272-291_ 294-312_ 325-343_ 379-397_ 411-429_ 453-471 MAIDEN score = -34.8715 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 ----------- ---------------- A112 -P138 10 G131 -A175 8.70216787618625 V343 -M379 2.02593518300554 I281 -I303 1.66842353943356 I281 -S304 1.52062833267809 I135 -S246 1.51476103158714 L214 -I250 1.18721003065381 F140 -W226 1.14307596691203 L108 -G141 1.12723020748876 L220 -K247 1.10458720112582 L218 -I250 1.10329307259046 I111 -L137 1.10177835489212 K217 -A249 1.0832927159914 A164 -L225 1.07902344424275 I161 -W226 1.02347453561634 H224 -V230 1.02295681221021 P228 -A243 1.01187020840333 L225 -V230 0.994836474269873 I211 -L467 0.993699991944885 F216 -H224 0.96003404743385 L139 -L242 0.951876192317485 V143 -D229 0.93523136666908 H224 -D229 0.870527133332679 L108 -L142 0.824636699178458 Y308 -V414 0.797191986489644 V212 -V464 0.794959328272174 T244 -F335 0.794255220543722 V212 -L467 0.776353450337259 L220 -W226 0.775647461259724 I161 -L225 0.751871931952049 P222 -L297 0.750152961614494 I161 -H224 0.749666594325458 I132 -S167 0.746094305826225 F223 -V230 0.741868827957558 V221 -I303 0.740325783759863 K395 -V415 0.727101766801555 L119 -L134 0.722962914456851 G284 -I303 0.71163153828784 I132 -G213 0.707314724729866 L298 -F341 0.696597385560533 P228 -S239 0.695739933283857 L108 -F140 0.694175268219609 Y333 -L390 0.691792397174501 Y329 -I393 0.688420204690459 Y329 -L390 0.682203299481098 L220 -L225 0.679156814764481 L289 -Y424 0.677284240403642 Y231 -L297 0.675016878309943 I132 -F172 0.672429091023673 G339 -I386 0.671457309118679 V343 -L383 0.666790512555088 I111 -F140 0.664721573810929 L119 -L130 0.661714048448153 A236 -F341 0.657245625962088 W226 -A243 0.653407270845384 M379 -A429 0.653110740628118 F335 -I386 0.650770416398836 L306 -Y333 0.650455838540983 G394 -V414 0.645995169427443 L139 -A243 0.645804207634084 A112 -F140 0.642135220602143 M287 -L297 0.637967939974413 S136 -S246 0.635625312447251 P222 -R296 0.626245654599345 V80 -A120 0.626071167618047 F172 -G206 0.625450048240193 I455 -S460 0.623656472559127 A288 -L297 0.62355613901804 G173 -F207 0.621449539511533 F140 -A165 0.617648873551817 T227 -T244 0.614256719580641 P387 -L422 0.61411362867448 S136 -S168 0.608420238700326 L81 -A120 0.601576107191843 V80 -G116 0.601428609793992 I281 -Y300 0.597769323740494 A164 -F216 0.597571069802011 E133 -F169 0.593850476584707 A113 -P138 0.593834422395387 I132 -A175 0.58551369103491 I135 -K247 0.582974762959692 A112 -L142 0.577820006974989 S336 -L390 0.575689627762947 I211 -G468 0.574461545189742 P138 -L242 0.573846485489804 F140 -A164 0.561270676513199 M174 -A179 0.560949012606306 G173 -Y178 0.560718232814053 F172 -G213 0.557158404440804 I161 -V230 0.550304251674003 T87 -L142 0.548579506278118 N285 -Y424 0.541455589884458 G342 -S382 0.536975128125912 P237 -G342 0.535145449252541 F172 -M210 0.530693029038731 I281 -H305 0.530458479793275 F251 -L309 0.527665937507596 Y308 -A413 0.525568762338284 S167 -L225 0.523717071716888 A274 -V311 0.523408175335929 S136 -S167 0.520676809383749 V221 -G299 0.519408876190097 S136 -L225 0.518367435873833 V221 -R296 0.513110048909099 E133 -F172 0.512520381975373 L137 -S168 0.509933917255252 A164 -K217 0.509428950492119 F216 -L225 0.505991713578222 W226 -Y231 0.502462838116188 S167 -L214 0.500117022223667 S280 -S304 0.493866191210377 V221 -Y231 0.493121162462437 I132 -M210 0.492931446773159 A274 -L310 0.490549174981408 Y231 -L298 0.490228324157975 S304 -G421 0.489245788505975 S336 -L383 0.489204306945914 G208 -V469 0.489116746418238 L119 -F129 0.485965557111554 S84 -L242 0.483443770686458 F140 -D229 0.48133246868812 S301 -L338 0.479962920766112 L142 -S239 0.479845376106576 S304 -I420 0.477821388103561 N123 -L128 0.475708120656848 Q291 -Y425 0.473853592591156 G284 -S304 0.472945377154815 N285 -I420 0.465562877903461 S127 -I132 0.463606995176037 S84 -A113 0.462577908830725 L108 -P138 0.461244970088915 L128 -V253 0.458656981345571 L139 -S239 0.458606008164439 F172 -L209 0.453579145922014 L383 -Y425 0.449530224450111 I111 -P138 0.449116456127235 P222 -L298 0.448431561493975 V230 -R296 0.446796179606374 L390 -K395 0.43756048879442 S84 -A112 0.436546813626263 A325 -L330 0.433492999569675 S136 -W226 0.426790444780262 F223 -Q232 0.422132680929717 L114 -P138 0.421361542236686 S167 -F172 0.420297074141337 I386 -G391 0.418777421396489 I132 -M174 0.418512801334088 A112 -L139 0.412821151946353 L114 -L137 0.412782658041497 I281 -L306 0.411822557919335 V80 -A245 0.408295729980381 F251 -L310 0.406903153143294 H224 -Q232 0.406648837171625 G115 -I135 0.406641114813468 L214 -V253 0.404916353586511 L220 -I303 0.404586694746053 L220 -V230 0.403739818543125 F216 -L463 0.402489743397208 K295 -F341 0.40214447518206 V343 -A429 0.399358880244248 A165 -L170 0.397762774875654 A164 -V230 0.3963253237059 L176 -F207 0.395768545401103 A277 -V311 0.395439427096913 L137 -F169 0.39437985034465 F140 -L162 0.393415928913945 V177 -A205 0.393385276943532 K217 -H224 0.392721773648795 S302 -Y333 0.389208733876067 Y300 -S337 0.389035392726277 M379 -A384 0.388498304279866 A86 -V238 0.385598854736818 A122 -F129 0.385095866564991 A126 -L176 0.383329223708584 G332 -T389 0.379467399367371 A166 -A461 0.377740898092163 A175 -A205 0.37770788092152 L139 -W226 0.37275003788617 F251 -L306 0.371526969996372 G115 -L134 0.369520180951584 T87 -L242 0.369045309223526 G342 -L383 0.368101502663244 F223 -R296 0.365189710946932 A277 -L310 0.365159296278963 L289 -V428 0.365060069897207 L225 -Y231 0.364636126868235 S301 -S336 0.362554556639916 Y397 -G412 0.359940803476509 Y333 -G385 0.359118284038338 L298 -A340 0.356432141132158 T240 -L338 0.356282529078612 G131 -F172 0.356027812458935 S163 -L225 0.355963452876641 V177 -G206 0.355365401297967 S167 -F216 0.354466574437482 L128 -A249 0.354160921849923 T77 -L119 0.352724508406649 L209 -G468 0.350655192728376 G342 -M379 0.350443379225448 A288 -L298 0.349161659736494 G131 -M210 0.34889934977489 Y231 -Q291 0.34732232398389 T87 -A112 0.34703757251481 S127 -L176 0.346726263050067 L139 -T227 0.346678630889985 V80 -L119 0.346420014902044 H224 -S246 0.344956806211692 L176 -M210 0.343523586820865 Q232 -L298 0.342658137039784 L107 -G141 0.342480370382089 C88 -V109 0.340489359609675 T87 -L139 0.340121255646735 S280 -I303 0.339915241550415 S167 -V212 0.335433394353049 C88 -L142 0.334712355762368 F140 -I161 0.333312579411242 I135 -A249 0.332076609144821 L134 -S246 0.331917960033265 A340 -S382 0.331330954077704 V416 -Y424 0.331311190189471 V221 -L298 0.331081747366785 A175 -G208 0.329133965831633 K295 -S302 0.329120166943114 G115 -A245 0.328012570025578 M174 -G206 0.327672713703919 A312 -G412 0.327376142334955 Y329 -V411 0.323985229966041 A165 -W226 0.321034846226713 S219 -A249 0.319484459035935 K295 -S337 0.318017490192443 A277 -S302 0.315496287177916 G213 -G252 0.315002336021073 A165 -S246 0.314723550950888 G252 -G327 0.314294878890926 G394 -G421 0.313906718810456 A243 -L338 0.313411542658745 Y300 -V343 0.31337348421604 L75 -N123 0.313084632320026 C88 -A113 0.313044689433792 L220 -Y231 0.311611869534568 G131 -M174 0.309800394905634 H224 -S460 0.309777190100452 A83 -S246 0.30973928952359 A83 -F241 0.309221176131763 T227 -L242 0.308626233486637 I211 -P471 0.30780759897771 Q232 -L297 0.30660377388458 A312 -G394 0.305451770766048 A165 -L225 0.30489132914535 V343 -V428 0.303713047268596 K395 -V411 0.303506501830305 A243 -G339 0.302495335456543 G173 -M210 0.302098899661131 S136 -H224 0.301833177664954 S301 -P387 0.301330720434426 V221 -G284 0.301196280306311 H224 -K247 0.298481093717069 H124 -F129 0.298007625007848 T244 -L338 0.297201506383915 L118 -L130 0.296627397919643 L273 -L310 0.295378099786382 S219 -L225 0.295334431551778 I135 -A243 0.295140922928516 A164 -H224 0.293531422164308 T87 -T244 0.29180781392838 V343 -S382 0.291371039761809 G299 -G421 0.291241305699685 L214 -A249 0.290315207621396 L134 -A245 0.290247704867885 C88 -A112 0.289679982803717 A288 -G421 0.289306257027105 T87 -G141 0.289091703742586 T160 -D229 0.288348711981869 L108 -G115 0.287136396686325 L218 -G307 0.286309918045158 V212 -L463 0.285929396394055 F72 -G327 0.285633041642187 A164 -G215 0.285239850459841 G215 -S460 0.285107651629828 A245 -L334 0.284959191586027 A83 -G141 0.284926130318117 G252 -L306 0.284304925739202 G78 -N121 0.284281271156356 G115 -L242 0.283466049682386 T87 -V238 0.282303183499908 L137 -A164 0.280518590709995 G284 -L306 0.279881984750767 A277 -L306 0.279849475634189 M255 -L310 0.27950324354507 L309 -G394 0.278966378991399 A288 -Y424 0.27865739857306 L85 -G115 0.278164277403149 S167 -G173 0.277936027116692 L214 -V254 0.277606683704176 L286 -G421 0.277468280653997 I248 -L334 0.27742794342193 Y231 -G342 0.276443537411147 S336 -G394 0.275850454968273 Y159 -V456 0.275470592002261 L390 -G417 0.274162653601029 K217 -S460 0.273631864082075 S167 -K247 0.272871629350554 G116 -P138 0.271564433363075 Y76 -H124 0.270151205409429 G339 -L390 0.269666755847552 G342 -A429 0.269046184488578 L134 -L139 0.268407843800593 L108 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0.245346946980989 G284 -G417 0.244636797904739 N121 -L130 0.244285247867317 G215 -G252 0.244196165451466 L383 -G421 0.241822469314898 L220 -T244 0.241783863221826 T87 -L110 0.241435438024058 Y76 -A83 0.241431742809788 N123 -F129 0.241273564139818 H224 -S302 0.240937535381745 E133 -A175 0.239560705229065 G391 -S418 0.239509679705679 P387 -K395 0.239403978249412 S280 -Y308 0.239291837083893 G213 -S460 0.238793913256119 A277 -G284 0.238517595495126 L171 -G208 0.238355115499305 S304 -Y423 0.236884224904458 L286 -G299 0.235010984300104 T227 -L334 0.234005849090851 V311 -Y329 0.233887902532565 A277 -Y308 0.233883941685887 L118 -P138 0.233737058309134 A245 -F251 0.232287278522725 A112 -F169 0.231435279574371 L134 -T244 0.231381755287509 A288 -A340 0.23125646791641 F241 -G339 0.231035698302589 L465 -P471 0.230607495119675 S163 -Q232 0.230512876939889 G215 -F251 0.230165843493733 P228 -L297 0.23012804315356 I281 -V311 0.230069123730567 P387 -F392 0.229972132173805 N285 -Y300 0.229524931688276 G78 -N123 0.229185817511538 A312 -Y397 0.227452255278303 W226 -G299 0.227315773292561 M379 -R427 0.225639938319005 T389 -G394 0.224974047980769 L139 -P237 0.224344357608247 S219 -S337 0.224297990056215 L220 -G299 0.223934242236715 L118 -H124 0.223673732339511 S239 -G339 0.223623536100423 G453 -S460 0.222967293323828 N121 -G131 0.222905148892313 Y76 -K247 0.222684628224254 F241 -Y333 0.221099222993149 G342 -V428 0.220272007157108 L85 -G141 0.220270026516533 S239 -S382 0.21990195600932 T77 -H124 0.219309746972865 I132 -A249 0.219246616983806 S418 -Y425 0.218818085172294 I294 -V428 0.217997512454469 G131 -S136 0.217951625689495 F335 -A384 0.217527725736307 F223 -Y231 0.217291252134832 S239 -S336 0.216801107870318 S167 -A175 0.216441754750486 G284 -Y423 0.216205138711489 R296 -A340 0.216175477476893 L306 -S337 0.216109119462924 A288 -Y423 0.21532479039656 V109 -G115 0.215240523365413 S167 -A461 0.21509124138641 K295 -A429 0.21495002777805 P237 -S336 0.214828680650246 G116 -A245 0.21458191025071 Y423 -A429 0.214479064150102 A288 -Y425 0.214458375232333 P228 -S336 0.214158108764062 L220 -H305 0.213557388084885 H305 -L422 0.212745730856338 C88 -I117 0.211119900154136 H305 -A312 0.210604421395061 F216 -V230 0.210262255547496 S302 -P387 0.209985818477791 A243 -S301 0.209860857493701 G213 -S246 0.20977855580271 S84 -P228 0.20887106252171 F396 -V415 0.208605021396345 Y76 -V326 0.207913694425981 G332 -I386 0.207734184110512 S84 -V109 0.207520450093802 Q291 -V428 0.207163784640866 S301 -V428 0.206997037089118 A277 -I303 0.206427722984108 T227 -I250 0.206219913272421 G71 -G78 0.206103980578135 G454 -I459 0.206091392227423 S219 -P228 0.205582290614585 T227 -S246 0.204872692778363 M210 -V466 0.20477730621458 S84 -P237 0.204714301888392 S239 -L338 0.204684222203568 D229 -A236 0.204218750805462 F251 -A277 0.204073272687829 N123 -G252 0.204054122869416 F251 -V326 0.203913072941707 P237 -L383 0.203770382269174 E133 -F216 0.203460451044399 N285 -Q291 0.203255895099592 L309 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0.187817830872774 Y308 -S337 0.187711601760596 G78 -T244 0.187493373181418 L209 -P471 0.187484784423816 I248 -V326 0.187107952980394 A384 -A429 0.186902063398858 V230 -S246 0.18661472430411 S246 -S301 0.186003015407127 N285 -L298 0.185800195150214 M287 -Y423 0.184594560161019 K247 -L306 0.184355788102399 T240 -I248 0.184319998280325 S302 -Y424 0.183950815693223 S301 -M379 0.183789285980074 G115 -G173 0.18376350079809 Y159 -W226 0.183712337877288 S168 -G213 0.183388206100442 A126 -E133 0.183355373998322 V109 -L142 0.183301547079385 S239 -K295 0.182981681417668 L137 -K217 0.182502322534238 F216 -G468 0.182102807615433 F216 -F223 0.181883436510012 H305 -L338 0.181733729727056 A164 -Y231 0.181342972359765 G307 -Y329 0.180696598391042 G299 -Y333 0.180069869255725 S136 -M174 0.180014843063431 L114 -L134 0.179850048183806 G215 -M255 0.17971165755365 I294 -G299 0.179301212186564 G206 -L467 0.179001860700851 Q291 -R296 0.178723698280741 T160 -L225 0.178586321731036 L118 -S136 0.178543984180038 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