[Fri Aug 26 18:24:25 2016] >Input file: TMQ3SK39S1D.pdb >TM segments: 426-484_ 578-625 MAIDEN score = 11.8236 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 ----------- ---------------- P445 -H468 10 M450 -H468 10 K610 -M620 10 M450 -L469 1.78817319581563 M452 -V473 1.34454556915362 P455 -T475 1.26375797778056 I451 -L469 1.23295015439094 V607 -E623 1.14200047714073 I451 -L470 1.1288277204748 K610 -A622 1.08593447057097 Q606 -L625 1.03298908917756 M450 -L470 0.945761509828793 R602 -I616 0.943708773125565 K428 -A582 0.900698481776496 R585 -V590 0.895057423757252 K428 -F605 0.8579531210691 I591 -I616 0.848669781536632 D454 -E459 0.791239112948454 E464 -L469 0.729848157088332 D444 -H468 0.720179558259678 A604 -L617 0.67023872233789 M452 -L460 0.636540728361362 F605 -A622 0.633224615552654 M452 -V474 0.631996084485139 V607 -A624 0.629432095157188 V453 -V473 0.62516302431712 S613 -G621 0.59158634892386 V432 -A582 0.581931524725508 I451 -V473 0.566781969305257 Y463 -V473 0.566739325071085 D612 -E623 0.548821880584698 R449 -P467 0.529111913583528 K596 -I616 0.517010089614187 M452 -L469 0.515886302256332 I611 -M620 0.513201621214225 M457 -T475 0.508594290636159 K610 -G621 0.503837437476228 D612 -A622 0.477823654066156 P586 -E623 0.474076018158352 T475 -A480 0.472248457848088 S426 -V607 0.465410189461594 V453 -V474 0.438023807247908 P586 -K610 0.428414222260336 F605 -L625 0.427563663710498 E459 -T475 0.417521418362055 V453 -L460 0.411938830602435 M452 -H578 0.394835390676763 G427 -F605 0.392517049176255 P445 -P467 0.382181934298602 V588 -G593 0.37100072527439 I436 -M450 0.36766808302347 T615 -E623 0.366053528878584 P586 -Q606 0.364482616049861 P455 -K478 0.353722619184833 G431 -E459 0.343734486355686 P455 -V474 0.338278476662972 L439 -V448 0.337999687016372 S609 -A622 0.336555482488834 A604 -S613 0.332635756520408 I603 -I616 0.32050203701486 V590 -D612 0.317594912874063 I603 -L617 0.317387614393205 V588 -D618 0.315195435007592 M477 -V590 0.314555394375042 A604 -I616 0.312110911327611 G427 -A582 0.311822374495041 A582 -K596 0.311313632395865 S608 -S613 0.31031011350367 E464 -T475 0.305776738260112 Y441 -P467 0.303954511714685 Q606 -A624 0.30366291964299 L617 -A622 0.300310742745152 L439 -D444 0.299132692214952 M457 -I462 0.296813731268994 T592 -P600 0.295091941131049 E464 -V473 0.29268372881083 K428 -A622 0.290791278550334 K428 -Q584 0.288780466254609 A471 -S482 0.288317188830661 P586 -I616 0.287607151586901 R614 -E623 0.286365894488836 R602 -M620 0.285065525348076 E459 -Q584 0.282752966350356 S426 -A624 0.281335856439879 V607 -L625 0.280775735320467 L460 -V473 0.275079349983913 P586 -I591 0.274750941221806 V607 -D618 0.273689107655824 S426 -F605 0.268985757676071 I451 -A471 0.268696641035282 G427 -E459 0.2647888444311 D612 -L617 0.264063498885938 G465 -P472 0.263527206024463 R602 -A622 0.263525299172523 Q606 -M620 0.26299227671506 K610 -Q619 0.261202727471062 V430 -E459 0.259709339200566 N433 -M450 0.256993569614703 M435 -V453 0.256949597539027 P445 -Y463 0.253265125345355 L484 -H578 0.252852057633667 D589 -D618 0.251035463158799 H468 -H578 0.250099825462282 V474 -Q479 0.248999376631494 K428 -E459 0.246047690046466 G431 -Q584 0.242811128928834 K456 -Q584 0.240085888460475 Y463 -A471 0.236841510648341 K596 -S613 0.230412233403817 P600 -T615 0.229205857926603 I451 -P472 0.228788077183257 P455 -L581 0.22780521025149 R449 -Y463 0.223590887044129 L460 -G465 0.223224260140099 V588 -D612 0.222285700610938 S429 -K456 0.219633494805775 M452 -Q479 0.217017690563449 T601 -T615 0.215906540312667 M435 -V448 0.214267225418562 V432 -M450 0.214266478711159 P600 -S613 0.213751018909361 K428 -R602 0.212536552048922 V453 -S482 0.209384430853829 V588 -T615 0.208981968425937 V588 -M620 0.20763575384626 S587 -G593 0.207300035262397 M452 -P472 0.205360637095508 V453 -T475 0.205240166726669 G593 -L617 0.204549181599631 L439 -M452 0.202643475565803 G593 -D618 0.202218841363553 T592 -I611 0.201745752152039 V607 -S613 0.201139004056014 R585 -R602 0.200695167633174 S429 -P586 0.200609827574447 R449 -I466 0.199447363496152 K428 -I603 0.199363871254938 G431 -Q606 0.197660917370684 K442 -H468 0.195821793815939 S613 -M620 0.193063637821304 A434 -E459 0.19270817699764 I451 -V474 0.188764624580303 A434 -K442 0.188543007501256 L437 -K442 0.188073577724118 D444 -P467 0.187805660903193 S438 -V448 0.187662736651254 K428 -S608 0.187470929837197 T583 -D589 0.186653434003312 A582 -T615 0.185837933724252 P445 -P472 0.185816830128809 T592 -D618 0.185730667519745 A597 -D618 0.185603242812137 S461 -P467 0.185351670119482 V430 -Y463 0.184670560444777 L437 -M452 0.182245336638551 V440 -H468 0.18157530707853 T601 -D618 0.180458338717851 H578 -T601 0.180265142569931 Q584 -S613 0.180140540283917 D454 -R585 0.179075070576691 A604 -D618 0.178699861680864 Y463 -L469 0.177854413314376 S429 -Y463 0.176902319864964 V432 -E459 0.176087873823429 L579 -K596 0.175705987108736 K428 -D454 0.175461434438573 K428 -L625 0.174916009975618 A597 -R602 0.174029495835909 S429 -S438 0.173969602090482 Q606 -T615 0.17360015623278 S429 -Q606 0.17342322532625 V453 -E464 0.173100885002342 L470 -S482 0.172935891376383 S587 -M620 0.169844662588545 V432 -F605 0.169339531176585 T583 -K596 0.169301354770704 R585 -A604 0.16819620644234 K456 -A582 0.166514380113574 L439 -P467 0.166231805727598 D612 -M620 0.164634341595451 P600 -R614 0.163767008966929 G427 -I603 0.161012869047291 T592 -D612 0.160878310421155 G431 -L439 0.157946245947209 Y441 -R449 0.155945422794666 E464 -A471 0.155394332006046 G431 -I580 0.154737029264522 M435 -I451 0.153469186806508 V430 -A604 0.153301851382287 M450 -L581 0.152558104986094 T583 -D612 0.152240826485755 A582 -V607 0.152233858005249 E459 -T583 0.151819759635665 L581 -N598 0.151693833170952 M450 -I462 0.151376235400078 T592 -T601 0.151068093307289 N433 -L460 0.147503906339346 V440 -S446 0.147297308200753 I603 -E623 0.146348067139385 S461 -V474 0.145382097773302 V590 -V607 0.145221590105867 Q606 -A622 0.144946458330117 I611 -D618 0.144563346445007 P586 -G621 0.144399490040203 K428 -D612 0.144237157895952 S443 -L469 0.143716907332328 K442 -R449 0.142065111119558 L594 -P600 0.141486793977753 M452 -A471 0.139198216993371 T583 -T601 0.139175576514165 L581 -P586 0.138752841410739 I436 -I451 0.137736131981927 M450 -G465 0.137734361851133 K596 -Q619 0.135946635041395 K456 -I462 0.135753061059204 V432 -S461 0.135552924112361 G427 -L625 0.135476639502823 I436 -E464 0.135168185866583 R602 -E623 0.133880477995199 G431 -R602 0.132671476088507 D612 -A624 0.132618305339999 T601 -Q619 0.131067276029787 A471 -A481 0.130196846540334 V474 -L484 0.129948815224761 L437 -I580 0.129282393518925 S429 -V453 0.128975150699331 V453 -L579 0.128436682424495 G593 -P600 0.127761810715922 Y441 -Y463 0.127676284301174 V588 -I611 0.127592808156765 S461 -V473 0.127503817773353 K596 -I603 0.126848248258295 V588 -K610 0.126693024208944 L439 -L579 0.126434391265321 G465 -T475 0.12621630946017 S461 -P472 0.125931657227414 S438 -D444 0.125530570318722 D454 -Y463 0.125471322012941 I462 -T475 0.125035873748995 G431 -Y463 0.125009158969402 I591 -T601 0.124801769565538 A447 -P467 0.124790858289019 D454 -K478 0.124640213279238 S587 -K596 0.124489252060294 M452 -A582 0.124128166076477 R602 -Q619 0.122535294095183 A434 -I603 0.122099178066392 S426 -V432 0.122088572497896 L581 -L594 0.12056241450542 A434 -Y463 0.120525224397402 I451 -S482 0.1197041745598 V453 -L458 0.116627448139772 L460 -V474 0.115247394905808 N433 -E464 0.114805101093554 V440 -G465 0.114291547091644 P586 -A622 0.113753165881155 V448 -I466 0.113733324498885 A604 -E623 0.112639604007606 T583 -V588 0.112607694368084 V432 -T601 0.110984810108794 V588 -A597 0.110716414968622 Y441 -A447 0.11003697585492 K428 -L460 0.109729821010645 V432 -V473 0.109523904209525 P586 -M620 0.10932904911619 K456 -A480 0.109273667129502 R585 -S609 0.109056049970685 H578 -K596 0.108911070009669 T592 -R614 0.108692881144084 I580 -A604 0.107435621081995 G465 -V473 0.107336176201615 G427 -A622 0.106538242415408 V448 -H578 0.105978547541604 T583 -S608 0.105744454830732 R614 -A624 0.105534974855772 V453 -D476 0.105507636483129 I580 -I591 0.104929162067149 S426 -P586 0.104880964295462 K428 -I580 0.104318930768965 K596 -D612 0.104305420810867 S446 -L469 0.102190050878573 G431 -T583 0.102107942934594 T475 -A483 0.102048650045897 R602 -G621 0.101980380433814 R585 -I591 0.101487661529146 S446 -L470 0.100922720329128 V474 -A480 0.10063267233831 L469 -L579 0.100579728628026 V473 -K478 0.10028370142915 S587 -Q606 0.100275739366605 S587 -D618 0.100141744628569 M452 -G465 0.100012842870187 S438 -A447 0.0999659930461885 N433 -L458 0.0998357081830488 A434 -A582 0.0994793090993396 I591 -K596 0.0993866667584324 S426 -T583 0.0992811176043271 F605 -D612 0.0991404885081266 T583 -R602 0.0989654727824746 V430 -Q584 0.0983472124146889 A447 -L470 0.0981023715517443 S461 -A480 0.0980608354906103 I451 -A480 0.097925509177526 P586 -Q619 0.0977161728512126 S587 -Q619 0.0975066642092099 S426 -R585 0.0969900428357819 D612 -G621 0.0967045128214945 I451 -I466 0.0966837742061095 L579 -L594 0.0962597652883148 L617 -L625 0.0962378804242476 V453 -L470 0.0960766424252828 P472 -M477 0.0956618482504883 L469 -L484 0.0956419326597859 F605 -K610 0.0947005638807088 L469 -I580 0.0937359542260054 S587 -T615 0.0934232225615732 L437 -H468 0.0930922793881823 G431 -T601 0.0928563790193655 T615 -G621 0.0923772121133596 L458 -A582 0.0923279422519947 A604 -S609 0.0915798579513529 Q584 -R602 0.0913875308704832 L437 -P445 0.0909387208903922 K456 -T583 0.0906608295516227 I616 -L625 0.0905073479826815 L460 -L581 0.0894007053292951 V432 -L439 0.0893258064036528 V453 -T583 0.0884208750612494 S587 -A604 0.0878600912434693 L437 -L469 0.0877811998491207 I580 -K596 0.087587944091827 G427 -T583 0.0874820054540983 Q479 -L484 0.0873458861552425 K428 -I436 0.0870740126287548 K428 -Q606 0.0864656382911444 L470 -A481 0.0863744858002624 T592 -S613 0.0856190804487085 S429 -L581 0.0852388358404963 P455 -A471 0.0850236039537737 M450 -S482 0.0844226566732447 A582 -T592 0.0842314015561834 R614 -G621 0.0841045221217511 V432 -L458 0.0840944781946029 N433 -L581 0.0838593185107177 I451 -P467 0.0838588775802528 V432 -I462 0.0837037440992372 M452 -P467 0.0836679728868228 V473 -L484 0.0829456248200353 S587 -T592 0.0819525022319332 S426 -G621 0.0816958727166006 V588 -S609 0.0816406003226757 K456 -V474 0.0809793152934737 I436 -A582 0.0809269470634444 M457 -M477 0.0799157520886837 V430 -S438 0.0798674043598493 L581 -F605 0.0797488739828272 V607 -G621 0.0795991174301083 V440 -L469 0.0793830764695658 G427 -Q606 0.0790973595924767 M452 -I466 0.0788152279103884 V430 -Q606 0.0787990279902624 S608 -R614 0.078376162227384 L470 -A480 0.0774032284623347 V453 -I466 0.0768570203311909 S461 -A471 0.0763417227671805 V453 -Y463 0.0761085646266744 I603 -A622 0.0759717718066586 G427 -A624 0.0759290054778603 Q584 -R614 0.075771269107473 Y441 -H468 0.0752932600842648 V448 -L579 0.0752574693186396 V473 -I580 0.0749853238115505 R585 -S613 0.074241153066945 K442 -V448 0.0741022033599972 R585 -T592 0.0737971230191125 R602 -S613 0.0733778865243859 Q584 -L617 0.0733744390271367 G593 -S613 0.0731259458548814 Y441 -M450 0.0730600174412119 K428 -A604 0.0727453338858215 M435 -Y463 0.0724238928694776 G593 -R602 0.0721814948574533 P586 -D618 0.0718719778437369 Q584 -A622 0.0700975716088834 R614 -A622 0.0700462553125591 M450 -E464 0.0698803843997114 D454 -I462 0.0698787699089924 M435 -I462 0.0698242566258371 L437 -D444 0.0697777044861638 S426 -A582 0.0694185706039194 Q584 -S609 0.0693697343264592 S608 -D618 0.0692636117687266 I451 -A483 0.0687990329373758 Y441 -S446 0.0687109439294105 S608 -T615 0.0683106752227403 V448 -H468 0.0677182484838923 Y463 -V474 0.0668424303841202 S438 -H468 0.0665788010593181 M435 -M452 0.0662478151811144 D454 -Q584 0.0655531596194901 P586 -R602 0.0654998948899688 S426 -E459 0.0653371879572813 M452 -M477 0.0650738723882688 R449 -A483 0.0650702067207263 Y463 -T475 0.0650332990708411 D476 -A483 0.0650179640769384 S609 -I616 0.0648972172144024 D476 -A481 0.0644562680319059 Q606 -Q619 0.0639254317655533 S461 -I466 0.0637588146110235 M435 -M450 0.0634820302575046 L579 -I603 0.0630670848193562 L460 -L469 0.0630115662741764 I580 -A597 0.0627650383161376 A582 -A622 0.0626476342291207 L460 -I580 0.0624368475662889 M435 -L469 0.0623570844393573 V453 -L469 0.0621881621272582 I580 -I616 0.0609876229806998 P455 -Y463 0.0607125729344333 V590 -A604 0.0606921762008561 V432 -L460 0.0605090220411171 Q606 -I611 0.0604602202462532 P455 -M477 0.0603854663631807 S608 -Q619 0.0597483616435937 L579 -I591 0.0595202370523999 I591 -S613 0.0591513966408779 N433 -Y441 0.0590189306271833 Q619 -A624 0.0588311544628057 A434 -A604 0.0583647916963286 Q584 -V607 0.0580518108751376 P455 -I580 0.0577238544756349 I451 -I462 0.0575108119084691 I451 -M457 0.0571300798893075 L437 -R449 0.0570489124348148 R449 -P472 0.0564239654285159 M435 -I580 0.0561413533693713 T583 -S613 0.0558515756185578 L581 -T601 0.0557277940937269 I603 -G621 0.0555301622593725 F605 -R614 0.0553894994081774 A483 -H578 0.0553317399834095 S587 -S613 0.0552254941943646 G431 -L581 0.0548370190597948 M457 -E464 0.0544821145311927 N433 -M457 0.0544416803888694 I591 -N598 0.0539802455764073 A480 -L581 0.0538815472057053 A604 -A624 0.0535914229033452 N433 -A582 0.0533895348556369 Q584 -D589 0.0531924132070052 R602 -V607 0.0529584198533699 G431 -L460 0.0526890339297772 R449 -H468 0.0523876190849974 T583 -I595 0.0523160512353282 S461 -D476 0.0522237996592351 P472 -A481 0.052116746955047 I451 -G465 0.0518017660584529 V473 -S482 0.0517871734418609 R449 -G465 0.0517602872786096 Q584 -T615 0.0508411238879489 S429 -D454 0.0505586554181732 G593 -Q619 0.0504216915567453 F605 -D618 0.0501876498984175 L470 -L579 0.0501755662308607 L579 -P600 0.0501000009555206 R449 -V473 0.049768569056132 I462 -H468 0.0495467007102448 I580 -N598 0.049447302173379 M450 -A471 0.0493503417722394 M452 -A481 0.0489992664403052 M457 -D476 0.0487986361421666 P445 -A471 0.0483492827969449 L439 -L470 0.0481394576247771 T601 -S613 0.0469628455284661 S461 -L469 0.0467463959506293 P586 -I603 0.046213494211919 D618 -E623 0.0457544710718572 M452 -T475 0.0450374576702828 T615 -M620 0.0449525464823439 P455 -L484 0.044641898962797 V474 -I580 0.0445034966686411 A434 -M450 0.044311477156763 L460 -P472 0.0440098493322072 V448 -G465 0.0438774862880766 V432 -R602 0.0438219043864274 L439 -Y463 0.0432729762799813 S609 -D618 0.0431249043818683 N433 -V453 0.0430412287419326 V590 -I599 0.0425447971199699 L460 -A471 0.042290206657726 S426 -D612 0.041761692526229 A480 -L579 0.0417131740957775 L579 -I599 0.0412318887399277 I436 -S461 0.0406030245813778 P445 -L469 0.0405793016897107 I611 -I616 0.0396405161525255 M452 -T583 0.039525418602693 N433 -T583 0.0394634771604938 L581 -T592 0.0393662922260987 S609 -E623 0.0390246503510046 K596 -R602 0.038782368690593 V590 -T615 0.0385401283487412 T583 -I599 0.0377749531415565 I436 -P445 0.0376381565012871 K456 -E464 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