[Thu Aug 25 00:22:39 2016] >Input file: TM3QLBCGG.pdb >TM segments: A40-61_A96-105_A175-182_A188-195_A211-218_A255-261_A277-284_A313-320_A338-345_A384-392_A404-412_A430-438_A448-456_A474-481_A492-499_A524-530_A541-547_A570-576_A591-597_A614-620_A637-645_A661-668 MAIDEN score = 496.6646 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- D314A-R345A 10 D190A-T218A 10 V389A-Q409A 10 V481A-L494A 10 S180A-D189A 10 R595A-L615A 10 V387A-R411A 10 L541A-W575A 10 S477A-D498A 10 S455A-A474A 10 L318A-Y341A 10 T404A-G437A 10 L528A-L544A 10 V620A-V638A 10 T493A-E529A 10 T215A-Q257A 10 Y316A-R343A 10 L260A-Y280A 10 G593A-D617A 10 R408A-T433A 10 S451A-E478A 10 N639A-I666A 10 D213A-S259A 10 T256A-N284A 10 L574A-V594A 10 V479A-L496A 10 G591A-A619A 10 T344A-A384A 10 T545A-M571A 10 L176A-Y193A 10 T436A-Y452A 10 R178A-K191A 10 Q192A-Q216A 10 N320A-I339A 10 L438A-I450A 10 S277A-D319A 10 Y449A-G480A 10 F194A-Y214A 10 I526A-Y546A 10 R342A-Q386A 10 S495A-E527A 10 Y258A-H282A 10 D340A-G388A 8.09902615839297 D217A-R255A 7.88527469228012 G338A-Y390A 7.54679995824603 R279A-S317A 6.62061397432194 G281A-T315A 6.0659746219244 A637A-S668A 5.82637052297156 S453A-Q476A 4.46671943395376 T641A-S664A 2.38875647419013 M41A-V46A 1.64947417982126 L211A-G261A 1.56572718949622 V638A-I666A 1.53921623643174 A619A-V638A 1.46940313943977 D340A-V387A 1.40938388699124 A572A-Y596A 1.37923234361325 L616A-N642A 1.29499778855987 L541A-L574A 1.26520362832701 Y434A-T454A 1.25115210753198 T641A-Y661A 1.22245644246146 L496A-I526A 1.21137498773915 L544A-M571A 1.20497881221695 L318A-D340A 1.16276435178221 L211A-L260A 1.07759992590611 D410A-K431A 1.00055717936948 Q216A-Q257A 0.998461349820801 T493A-L528A 0.987133469276653 V283A-G313A 0.98671539819061 L616A-L643A 0.934409016194525 I526A-L544A 0.918589951162932 Q45A-I666A 0.91653317796896 M571A-I597A 0.888651938989266 L494A-L528A 0.878905179557478 I339A-V389A 0.864546518805439 I450A-V479A 0.853121131527535 L643A-D662A 0.844823213393028 V479A-F497A 0.830506356670295 L318A-I339A 0.810892815749083 R255A-V283A 0.779282961512362 L438A-P448A 0.745233192039962 V594A-L615A 0.741806063555408 W575A-V594A 0.733592722605505 F194A-T215A 0.73068137002916 V49A-E101A 0.726361976317733 T641A-V665A 0.712310615118899 A57A-E529A 0.70635415739174 Y55A-L541A 0.690159686284792 M41A-A52A 0.678446549597105 F497A-I526A 0.671499709541928 S573A-V594A 0.668599193482045 Y55A-L574A 0.665161917252565 A542A-W575A 0.662458814404159 A543A-L574A 0.657881887238489 Y55A-A542A 0.656324840361352 I526A-T545A 0.647282905240044 V481A-I492A 0.645330720179082 L176A-Q192A 0.641492736216836 Y596A-L615A 0.637178863452866 S495A-G525A 0.636254019247547 F456A-A474A 0.633790810581149 S277A-S317A 0.627477320067805 I450A-E478A 0.62665794610162 E527A-A543A 0.615260968895848 A572A-I597A 0.614529037114437 E478A-D498A 0.61192203263813 V594A-L616A 0.606387649896034 L496A-R524A 0.59025484515492 S495A-I526A 0.587777547040211 W97A-V283A 0.586533836812278 L260A-A278A 0.584652569282229 A640A-R663A 0.578807040795768 L643A-S664A 0.576564662166097 L574A-A592A 0.568103708688597 G281A-Y316A 0.566685572399072 S317A-R343A 0.564901856147338 R345A-A384A 0.554411847005639 S277A-L318A 0.548953441962041 N639A-V665A 0.546360600078376 T182A-D189A 0.534176114471333 D410A-E430A 0.533709904461768 S477A-F497A 0.531102595751117 T436A-I450A 0.530032853298176 D645A-Y661A 0.526138593733299 G525A-N547A 0.5222152688698 S453A-S477A 0.519333979453915 I339A-Y390A 0.519301480014116 V46A-A52A 0.512435167746502 T454A-A474A 0.511522339515549 A278A-Y316A 0.506216544502495 A572A-V594A 0.505119632032845 E51A-A61A 0.504501081814468 A391A-V405A 0.504396910434228 T256A-H282A 0.503210951974224 Y280A-D314A 0.496200436032252 F194A-A212A 0.494854973066542 Y280A-T315A 0.490802559319693 L53A-V59A 0.486951620604203 Q44A-N639A 0.484499533803141 A543A-M571A 0.47809965632032 L616A-D645A 0.472557066770035 E177A-D190A 0.472406548444852 V46A-A102A 0.471741696381508 D213A-L260A 0.469619113886486 F432A-S455A 0.462760179109982 Q476A-F497A 0.461451098810792 T433A-T454A 0.460375410985746 A96A-D314A 0.454615912759698 L528A-A542A 0.453594681024708 Q386A-K431A 0.447797812247978 E177A-T218A 0.446744902610849 Q45A-Y55A 0.444106942593952 D213A-Q257A 0.443443420964721 G437A-S451A 0.441911062764877 Y258A-V283A 0.435308786218389 N50A-K99A 0.433437632309552 L574A-D617A 0.432633163762191 E51A-T641A 0.431983055740373 D340A-Q386A 0.431303515554187 L616A-A640A 0.429360707379336 L176A-F194A 0.422413052080769 L541A-A576A 0.416462978570646 V638A-V665A 0.416241716813019 T404A-T436A 0.411572047588536 K188A-Q216A 0.411548371484432 T433A-S455A 0.400371393253786 Q192A-D217A 0.39949149875599 D190A-Q216A 0.397300680622735 N642A-Y661A 0.395803942670863 G58A-I526A 0.394895027058439 K431A-F456A 0.393915037182497 G388A-R408A 0.393076831450821 Q392A-V405A 0.392298894032919 L616A-T644A 0.38727453890727 W97A-N284A 0.379150141008679 A212A-A278A 0.378731251559 D617A-L643A 0.375954220005675 A618A-A640A 0.373958852230166 K191A-Q257A 0.373610556171506 V620A-N639A 0.373388653531316 S259A-R279A 0.372440740939831 R54A-L574A 0.369980872948017 Y452A-K475A 0.367231101282571 Q409A-T433A 0.366857267212954 A52A-A57A 0.364898644955514 T641A-D662A 0.362878950191223 P98A-S259A 0.362045049042887 I492A-E529A 0.361964375600124 T614A-T644A 0.361004964762508 A619A-A640A 0.360652287491482 D217A-T256A 0.360600749878375 Q47A-Y193A 0.358533102367705 V479A-Y546A 0.357106756107391 L53A-A61A 0.355808057217996 Y341A-D385A 0.354506185373969 I450A-S477A 0.353873489579517 R279A-L318A 0.352057952659657 S48A-P98A 0.35178044141242 N50A-P98A 0.349894587843424 V49A-V100A 0.349081264866105 Q45A-N639A 0.346825604230537 R279A-N320A 0.343262136293177 A61A-K570A 0.342374870003767 D340A-R408A 0.342191273272427 Q40A-V46A 0.341801466943846 A618A-L643A 0.340743027868151 G593A-A618A 0.338933885912541 T56A-S573A 0.338838531307173 G530A-A543A 0.338096900950983 Y434A-S455A 0.336519830449132 D617A-R663A 0.336157380598482 A474A-L499A 0.334102092667246 Q45A-E101A 0.333376656038321 A576A-G593A 0.332427033311216 E478A-F497A 0.332294059907738 D42A-V620A 0.332033791521872 D213A-Y280A 0.328859204644753 G313A-A384A 0.328688555192895 A543A-G593A 0.327864881556379 L544A-K570A 0.327526546250144 A212A-Y258A 0.326803938595242 H282A-S317A 0.324935301666554 Y214A-G261A 0.324319364628177 Y546A-M571A 0.323707917893211 V100A-D213A 0.322209763017463 T454A-Q476A 0.321644980620379 I526A-N547A 0.321470460371634 A640A-I666A 0.320477885579722 T56A-T545A 0.317355412255289 D319A-V389A 0.316971705283013 A619A-S668A 0.313836232265528 S48A-K191A 0.311939917857595 Y103A-Q216A 0.309834139241538 K99A-N284A 0.308317855822828 G388A-E430A 0.307372531769389 L211A-S259A 0.307363709489414 I597A-T614A 0.306712638779143 T56A-L544A 0.306494001016606 G530A-A572A 0.306475076842887 T404A-T433A 0.305513036991737 D213A-R279A 0.305206652069893 L494A-E527A 0.304050725524061 L615A-T641A 0.302584955925047 Y193A-D213A 0.301138192526768 S495A-A543A 0.299464538207851 V389A-R408A 0.299260303190405 D217A-V283A 0.29910470470127 S317A-A384A 0.29891513507157 G437A-S477A 0.29689314624144 G407A-G437A 0.296022048888436 T404A-P448A 0.295636537090881 Q386A-E430A 0.294808293045717 A57A-L528A 0.293858880861636 A57A-T545A 0.293826561398246 G58A-S573A 0.293408287271563 A195A-L211A 0.292863847494358 R408A-F432A 0.291631808879759 E177A-T215A 0.291460346801622 T436A-P448A 0.291223177803055 V479A-L494A 0.288054799269902 V387A-D410A 0.28772891162113 A57A-M571A 0.287254848819834 D319A-V387A 0.287180958928884 S259A-G281A 0.286303426020535 R408A-E430A 0.286215054665261 I339A-V387A 0.285698783929192 T436A-S453A 0.285666275806923 A592A-L616A 0.285489395320494 R178A-K188A 0.285003382851369 V100A-D217A 0.284216053731925 P98A-T218A 0.284069659334781 S48A-V100A 0.282827364293097 D189A-V665A 0.281450601651707 G104A-L211A 0.281181579217845 Y258A-Y280A 0.280486206811132 D617A-T641A 0.280156275026003 L105A-G175A 0.279230681456591 L211A-R279A 0.278446976643389 A618A-T641A 0.278100520567976 E101A-K191A 0.277736278456855 L615A-L643A 0.276801973348804 R524A-M571A 0.275697025273405 V405A-R435A 0.273477188255896 S453A-A474A 0.273114378615599 A618A-A667A 0.272851476821826 S277A-G338A 0.271835862146169 N284A-G313A 0.271721957788065 Q47A-A52A 0.270979097416956 L318A-R343A 0.269857643879376 A57A-E527A 0.268390593007445 A391A-K431A 0.268161313252111 G104A-D213A 0.267899069365954 G407A-R435A 0.26788606667544 T344A-D385A 0.266980106182248 Q47A-E177A 0.266153719481559 G261A-L318A 0.265930252090137 A619A-A637A 0.265694433985436 M41A-V665A 0.265553645074137 R345A-D385A 0.265488408702116 V46A-D617A 0.265035889056676 G388A-R411A 0.264726454074309 L541A-S573A 0.264632106025617 Q47A-Y103A 0.264001383972185 G480A-L528A 0.263859694743058 A618A-R663A 0.263668579029905 S48A-Y103A 0.263644727842738 G338A-A391A 0.260203310079738 G480A-L496A 0.259995359731482 A195A-G261A 0.259876633891477 H282A-T315A 0.259798332360748 L260A-S317A 0.259753093020627 I526A-M571A 0.258954665666074 Y316A-R345A 0.258745359829911 L438A-S451A 0.2582405947691 R178A-Y193A 0.257972719475654 A195A-Y214A 0.257337150884794 Q47A-S664A 0.256547403366718 L528A-T545A 0.255297767065339 G175A-Y193A 0.255056253478788 G407A-F432A 0.25454690890659 Y341A-S412A 0.253580024258724 G181A-S664A 0.252510698682149 Y341A-Q386A 0.252181899332078 Q60A-Y546A 0.251529114429443 G175A-A195A 0.251193135850178 D189A-D662A 0.250982144830415 D319A-D385A 0.249940472705511 E101A-Q257A 0.249504424965267 A278A-R343A 0.249424660234264 V389A-R411A 0.247463627551726 A61A-R595A 0.247418278394569 K431A-S453A 0.244529439892319 D319A-D340A 0.244395480385261 Q44A-A618A 0.244152909683124 R435A-T454A 0.243948856672072 Q216A-N284A 0.243809631516269 R54A-S573A 0.243636442894413 Q47A-R663A 0.243588965759447 D498A-Y546A 0.243046667143158 L574A-T614A 0.241869635057841 S180A-Q192A 0.240146067884548 G407A-S455A 0.240121679141337 T644A-R663A 0.239463595984597 T454A-E478A 0.237708182384103 T56A-A542A 0.237019642915973 G437A-Y452A 0.235870419494017 D179A-D189A 0.235758961026454 D340A-Y390A 0.235632523803362 D213A-D314A 0.235578125465812 R54A-K570A 0.23482908048792 I339A-G388A 0.234251255812468 V387A-S412A 0.233843748504669 G58A-L544A 0.23371920480404 A637A-I666A 0.232620900854634 L260A-R279A 0.231329302872613 L528A-A543A 0.230128908892586 A543A-S573A 0.229839538913534 S259A-Y316A 0.229070946105862 D340A-K431A 0.228329550276093 V481A-I526A 0.227926281257086 L496A-T545A 0.227685183558755 V481A-E527A 0.227028806965469 F432A-Y452A 0.226042818844349 N50A-G58A 0.22458994090952 Y55A-R595A 0.224253536454336 R54A-Y596A 0.224083953818134 L494A-T545A 0.222922836091613 G530A-A576A 0.222164588815039 E101A-Y193A 0.221834313394174 D319A-G338A 0.221337398862912 Q47A-K191A 0.221323080751875 Y103A-K191A 0.220639176396128 Q47A-T641A 0.22047621297107 I450A-G480A 0.220422739185629 G58A-L496A 0.220222934036064 F432A-T454A 0.219252501120813 L260A-G281A 0.217151149145033 M41A-W575A 0.21656202157758 P98A-Q216A 0.21618598534237 I492A-G530A 0.215888616974263 A391A-R408A 0.21578225527346 S412A-S455A 0.21564674264255 D617A-V665A 0.215446436013969 A52A-S573A 0.215015050857555 A542A-Y596A 0.213655079016011 Y341A-V387A 0.213268625101964 G437A-T454A 0.211247319985166 A96A-G313A 0.210994874132394 N50A-Q60A 0.210952536107758 S477A-L499A 0.210660077952042 G480A-E529A 0.210583880002616 D179A-D190A 0.209863321691955 M41A-R54A 0.20924981336486 S259A-G313A 0.208483487127879 V100A-F194A 0.208248048173523 G406A-T436A 0.207695726610944 G530A-T545A 0.207162562717325 D645A-D662A 0.206671557847561 Q476A-L499A 0.205536049530392 Q257A-G281A 0.204802058809331 T404A-L438A 0.203720656907343 V405A-T436A 0.203076363155427 V46A-Y103A 0.201583413060373 A592A-D617A 0.200261826221533 Q45A-R178A 0.200134054964195 S477A-L496A 0.19947896037052 V479A-R524A 0.198939856239029 A57A-Y596A 0.198727788571253 W97A-T315A 0.198277914494832 K570A-R595A 0.197719145053403 L615A-D645A 0.197460954289618 Q47A-K99A 0.197103613293169 V405A-S451A 0.197091299622747 N284A-R345A 0.196622468979069 G591A-N642A 0.196063754588045 L211A-G281A 0.195338558690166 V100A-H282A 0.195332424760616 P98A-S317A 0.194865924662226 D385A-K431A 0.194791009477101 G388A-D410A 0.194274581598123 S495A-L528A 0.193678371047679 N320A-R342A 0.193677816670866 V594A-T614A 0.193631501739731 Q40A-E51A 0.193464973843768 G58A-T545A 0.191506315200596 G593A-N639A 0.191281916214854 T218A-N284A 0.190476153777366 R178A-Q192A 0.189277015994503 L318A-Q386A 0.189257707153734 E101A-L176A 0.189220754840084 G338A-T433A 0.189216596463599 E101A-A212A 0.188523534500626 A43A-D617A 0.188400585296841 A43A-S668A 0.188345386205599 Y316A-Q386A 0.187519725337865 S48A-Y55A 0.187333869160746 Y546A-S573A 0.186851807058031 L544A-S573A 0.186211133273386 T404A-T454A 0.185829332672085 Q44A-A619A 0.185188292118926 A43A-T641A 0.184332272740488 I492A-A543A 0.184301433422128 Y449A-Q476A 0.184269854111848 Q60A-K570A 0.184048243769579 G58A-G530A 0.183991604810389 G338A-Q386A 0.183849337398439 Y449A-E527A 0.183422720506833 T614A-D662A 0.183163627291036 A278A-D340A 0.181566094068331 W97A-R345A 0.180908005926923 A43A-G593A 0.180772891992907 R435A-D498A 0.179252627676324 R343A-D410A 0.178981069649934 R279A-D385A 0.178902999122514 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