[Fri Aug 26 17:55:43 2016] >Input file: TMA6TQ67M1D.pdb >TM segments: 439-551 MAIDEN score = 31.9421 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 ----------- ---------------- L540 -I545 10 I538 -I548 10 D494 -I523 10 D450 -D460 10 I537 -I548 2.17524240881393 F451 -K456 1.79975032207145 Q536 -H551 1.32607167462864 L492 -I522 1.22963505037421 Y491 -T520 1.07652704797743 I531 -H551 1.05792827995235 I538 -I545 1.04375432914976 D495 -V524 1.02817089089763 I537 -H551 1.02519669606568 F493 -I522 1.01607420925404 L492 -Q521 1.00202908325049 V539 -I548 0.882011519264413 D457 -L478 0.866614837946977 Q536 -I548 0.833841264469539 L512 -D533 0.811989266374779 E489 -A519 0.798119406352589 F493 -T520 0.795617634071486 D495 -I522 0.781747169795598 D495 -A525 0.770713854691566 I445 -V485 0.70587439313524 I452 -D457 0.681802133651718 F459 -Q474 0.679174657019707 T449 -I463 0.649793788685699 D533 -H551 0.63605617771695 I490 -Q521 0.627005399258051 F493 -I523 0.625385090954406 A483 -P488 0.587189818424865 R509 -I532 0.587126625464477 F451 -F459 0.544384539110113 A483 -Y491 0.526345511891047 F451 -D457 0.525038875078931 A448 -D460 0.510446854839656 S496 -I522 0.507072947412822 F459 -R477 0.505030146990568 I490 -A519 0.49806702393753 K507 -K513 0.487431670947296 S496 -I523 0.467446075381895 V539 -I545 0.464843489424066 G467 -K475 0.45495864968505 T529 -A534 0.443884551019154 T530 -I537 0.433294765093814 E515 -T520 0.42852614521745 F459 -L478 0.402530958016994 Q465 -L470 0.396489689551561 K475 -I480 0.383941959348241 K513 -Q521 0.37168593900061 T449 -L478 0.367968541531346 F497 -L508 0.365525869401409 V524 -T529 0.363906234103522 D535 -T550 0.353020898377991 K456 -A483 0.350232896107334 D450 -R477 0.349070479179005 Y491 -N518 0.3459185516146 I490 -T520 0.345020733760507 K475 -A499 0.344002693347824 E489 -T516 0.341544199270734 F451 -G458 0.33988236547582 I452 -G458 0.339126557562525 K456 -S479 0.332727306743195 R487 -K517 0.331034883504759 V524 -D533 0.330939654376822 A525 -K542 0.325072733318246 P488 -K517 0.322628703143982 E444 -F451 0.318030227640948 D457 -V485 0.309888352630137 G510 -A534 0.300815879776973 A442 -Q447 0.300090766253898 Y491 -I522 0.295814888118096 K456 -R477 0.293949517860793 K475 -S498 0.288423129359269 K503 -A511 0.287639488062688 K503 -R509 0.286617078235475 G473 -A499 0.282809946790063 G466 -G472 0.281191837339485 A448 -L484 0.280291375394167 A511 -K517 0.279984521923388 K475 -R482 0.276795632874648 E489 -K517 0.275290791577924 G472 -L508 0.272572771483418 S496 -K507 0.269965961715571 T449 -F459 0.267362008655756 A448 -S479 0.266610034643799 R527 -I537 0.265289124126408 Q526 -Q536 0.261099172907032 E489 -Q521 0.25955342969709 D505 -V524 0.258044662259019 S498 -K503 0.256859274554618 Q521 -Q526 0.253411090511225 Q476 -K507 0.250321083439471 Q447 -S453 0.24937666964129 G473 -D505 0.248534891129983 S461 -K475 0.247136093408737 R509 -T529 0.247043516124672 N454 -K513 0.246540635067737 Q474 -R509 0.244502136586818 L540 -G547 0.242210890533666 D494 -D505 0.242127375541298 L484 -T520 0.242039893006651 G473 -A511 0.24076185219473 D460 -R477 0.235253856770371 T468 -Q476 0.234154835214222 Q465 -Q476 0.229590019711901 F497 -A511 0.224960230726835 Q447 -S461 0.224796258128361 N454 -G510 0.221434615653083 V462 -L470 0.221405244007812 V524 -I531 0.220486493874613 S471 -S496 0.218730964011739 G510 -D533 0.21834070970903 E489 -N514 0.216826112945351 D450 -D457 0.216328162498655 V528 -D535 0.21627293017158 D505 -K513 0.216104101539924 D460 -K475 0.212834113275117 M455 -R477 0.212019731915259 R487 -A519 0.210943925996187 A446 -R482 0.210931807463127 G472 -D501 0.209599149222685 Q474 -T504 0.208894384102047 Q521 -R527 0.207777327918623 V524 -T530 0.205006523073755 S496 -V524 0.204436699797825 L484 -N514 0.203234083638332 K517 -D535 0.201995681103528 S479 -S498 0.200965895339125 Q521 -T529 0.198126602083094 E444 -R486 0.197782102493302 R527 -H551 0.197722595980728 A525 -D541 0.19694738975351 T449 -Q476 0.195982353844761 N514 -D533 0.195732398541257 K513 -I532 0.195198241987822 D495 -T530 0.195079098115851 S471 -S498 0.193316990441024 S461 -G466 0.192395969216028 T530 -H551 0.191289435518529 D501 -V528 0.190987276216465 A511 -T520 0.190803169064464 D533 -T550 0.190334754393189 Y441 -R487 0.189184071082355 F497 -V524 0.188578976356293 T529 -D535 0.188067621505723 I538 -T550 0.186834969861585 D494 -T529 0.186700179732317 S498 -V524 0.185839570405166 A499 -T529 0.183868722929281 K475 -L500 0.183304624475894 K475 -L508 0.182771263701363 F497 -T530 0.18222780987447 F451 -D460 0.182044812356864 R477 -K507 0.179836125867752 G458 -R477 0.179252363377152 D457 -R486 0.17913563446198 D457 -R487 0.17805563378471 R477 -D495 0.178051038165748 Y491 -A519 0.177320245172455 D457 -R509 0.176843384779606 R527 -D541 0.176754603928658 I445 -A483 0.176586640231899 R477 -D494 0.176166637590385 M455 -V485 0.175352556152518 E444 -A483 0.174423092998576 Y491 -E515 0.172571879764116 L484 -Y491 0.172120182702881 D457 -T516 0.167909726172544 Q476 -A481 0.163764388078794 D457 -R482 0.162938427399569 L492 -I523 0.16267501132289 I523 -I532 0.162473836254651 G467 -G473 0.162172299242895 I445 -A481 0.161686089981423 G473 -L512 0.161266787496545 G458 -G473 0.161253395741022 I463 -N469 0.160874880132817 D457 -I480 0.160118867663217 D494 -T530 0.159914614339048 A534 -I548 0.15979094077663 K456 -A481 0.159470014037209 D505 -T530 0.159181672531996 I523 -I548 0.158402533354212 S479 -R486 0.157178544439313 K475 -F497 0.156341815683414 G458 -Q476 0.154076845123705 T449 -Q465 0.153910828886613 N454 -D460 0.153199472910189 K503 -G510 0.151377796943506 S443 -F451 0.151222988874789 S453 -N514 0.151190718965316 G510 -T530 0.151110843260406 L512 -T520 0.15092820141685 S498 -R509 0.150251159334059 N469 -Q474 0.150136753790696 A442 -R486 0.149742434247477 V462 -Q474 0.149267582662309 I480 -I522 0.148298456578126 I452 -E515 0.146569297638151 T520 -T529 0.14632010895927 N514 -D535 0.145636022323992 I538 -A546 0.145157010148655 R477 -R486 0.144295647112772 Q447 -R477 0.144103049907385 T529 -T550 0.143960783015593 D450 -I463 0.143292657952807 I523 -I538 0.141809085639622 D494 -D533 0.141503468475765 D460 -N469 0.141448747456723 N469 -R477 0.140517163146043 P488 -N518 0.140025597843469 G472 -S498 0.139967131900098 I490 -L512 0.138552670398564 S498 -V528 0.138161011928141 K475 -T504 0.136214658018022 R482 -F493 0.135834978700037 L470 -Q476 0.135785279194014 R477 -F493 0.135005878523042 R509 -D533 0.134883665940989 E444 -I463 0.134133039429166 F502 -R527 0.133885563049126 K503 -T529 0.133787008828321 D457 -N514 0.13364531140599 A481 -N518 0.133025926635213 P488 -Q521 0.132835655043999 K475 -D494 0.132311684764573 G467 -R482 0.132010591777642 F497 -R509 0.131334023893274 T529 -H551 0.130455537967912 I538 -G549 0.130060195057624 Q465 -R482 0.129906853665348 A448 -R487 0.129596697514044 A442 -D460 0.129554836430876 Y441 -A481 0.129445046239858 A448 -V485 0.129027565878411 T449 -T516 0.128234060872706 V539 -Q544 0.127970669512062 L508 -N514 0.127255376535183 D450 -M455 0.126985629003808 D457 -A483 0.126642114718606 A442 -D450 0.126464644460922 A442 -A464 0.126440645181424 S471 -A499 0.126262959827404 K507 -L512 0.125771937892101 S443 -D460 0.125755037954089 T520 -I538 0.125737393789621 K456 -E515 0.124548117778104 K503 -L508 0.124533858100647 Q447 -I480 0.123982952953089 Q476 -S506 0.123418458846201 V528 -H551 0.123047847678033 M455 -G510 0.122513446373782 L478 -L508 0.122280713136987 I463 -T468 0.122100331023698 G458 -K475 0.121422624820558 A464 -Q474 0.119940213818919 F497 -G510 0.119603905052791 M455 -A481 0.119504152378352 L470 -I480 0.11935291512246 F459 -G466 0.119266199942232 S443 -K456 0.118233833763207 A448 -S461 0.117980781763291 K507 -V528 0.117546023531374 A481 -P488 0.117485011338236 A448 -S453 0.116668817811647 Q447 -L478 0.116289166661592 T468 -G473 0.11613914008639 S496 -K513 0.116084999493306 S471 -A481 0.115818698387873 S498 -L508 0.115618051831802 I531 -Q536 0.115444702293091 V462 -S479 0.114947453464174 I445 -D450 0.114867538285033 R509 -Q521 0.114855918828353 K456 -V462 0.113892505543193 A511 -A534 0.113530182495923 V485 -K517 0.113497250159839 V462 -G472 0.113124042971747 K517 -D533 0.113062713593075 S479 -L512 0.112454658492252 D450 -K475 0.111489613586575 I523 -G543 0.110957523214503 K513 -I531 0.110195106644766 R486 -T516 0.110183218643597 L484 -N518 0.110098152428129 L508 -K513 0.109752534114409 S498 -K507 0.109731692966437 G466 -R477 0.109097955323113 A442 -R482 0.108918215598055 F502 -Q526 0.10877139555835 Q526 -L540 0.108638987826441 I463 -A481 0.108501768794621 Q465 -R477 0.107748556525602 S498 -T530 0.107439275061952 S453 -A511 0.107172360473643 S461 -L478 0.107037344555664 S443 -A481 0.106866990300193 A519 -D533 0.106488512432109 V539 -G549 0.105396892435301 K475 -D495 0.104942775701854 D457 -K507 0.104400790230551 D457 -G473 0.104045029162896 S498 -R527 0.103748695864442 K456 -S461 0.103350481272953 L478 -S496 0.102684640884578 E489 -E515 0.102675863060764 L492 -V524 0.102573245204069 S443 -S461 0.102334759007275 S496 -F502 0.102325970566177 A534 -L540 0.102289611150874 A464 -S471 0.10217458833621 A448 -T516 0.102132387538803 N454 -R509 0.101703482120185 L478 -L512 0.100727386977697 A446 -S453 0.100191179101749 Y491 -L512 0.0997115789625123 A483 -S496 0.09944589209986 A481 -T516 0.0991986917033365 S506 -I531 0.0987131530882364 T449 -A464 0.0986490095215319 I537 -A546 0.0984402373345166 L500 -V524 0.0983817462861376 A446 -I452 0.0981690870272329 A483 -T516 0.0970077281279202 L484 -Q521 0.0969652934890448 G458 -R482 0.0967781331327655 G473 -S498 0.0965106770821333 K475 -D505 0.0956171003481234 S461 -L470 0.0951087637242747 K542 -G547 0.0940350555919054 F502 -A525 0.0938815062351424 A446 -A464 0.0930385322082934 F459 -G467 0.0928911907161645 Q536 -I545 0.0928398029405066 L484 -I522 0.0925404660226238 I522 -D533 0.0924929907332128 D457 -K513 0.0922200742202063 T530 -G549 0.0919282742866168 A481 -A511 0.0914491375046662 L484 -E489 0.0911665494029352 V485 -T520 0.0908531544792335 G467 -I480 0.0899919222036978 I522 -V528 0.0898649963548747 G473 -K503 0.0894458062151424 Q465 -K475 0.089321322182192 R482 -R487 0.0891079802524029 Q440 -A448 0.0888508052737849 A446 -S479 0.0888161652113544 Q447 -R487 0.0887377443742867 I522 -V539 0.0883654748097671 I523 -D533 0.0882670995731796 L500 -L512 0.0876299617017726 I522 -D535 0.0874421323676885 R486 -L492 0.0861023682642926 L478 -R486 0.0859532455017849 T468 -S479 0.0857437060449509 S453 -T516 0.0856491279683814 D495 -D501 0.0850188651063655 G458 -A511 0.0849328919935504 G473 -D501 0.0844550706684877 D460 -V485 0.0843770168611524 E444 -K456 0.0833806349740636 G458 -G472 0.0832760080731949 L500 -V528 0.0828183110781824 S471 -L500 0.0827740208015761 R527 -T550 0.0827646720795077 R487 -E515 0.0824361405983374 T449 -A481 0.0823209861154686 A499 -S506 0.0820632994750881 D457 -I463 0.0820412096544163 V462 -Q476 0.0818405691861344 I445 -I463 0.081293296485704 Q521 -G549 0.0809029875578872 F497 -K503 0.0804636656006041 E444 -R482 0.0802914663049323 S461 -A481 0.0801848633538444 A511 -N518 0.0798546880549127 I480 -E515 0.0796568067086887 G472 -A511 0.0790599779172316 A481 -Y491 0.0790521842110881 S496 -T530 0.0788980352816786 F493 -L508 0.0785687812925966 I531 -V539 0.078508627979093 A519 -I538 0.0776683821537941 D457 -A481 0.0773353734878173 D495 -F502 0.0772332458145824 N514 -I532 0.0771455246717052 S443 -M455 0.077023732042762 S479 -A511 0.076966863583027 A448 -N454 0.0764708170309927 R477 -S496 0.07508289889438 A483 -K517 0.0748294720138247 D457 -L512 0.0748072698782511 F459 -L484 0.0743053010882295 R509 -V524 0.0738273747559146 Y491 -N514 0.073612519018238 E444 -D457 0.0735050868232978 A483 -A519 0.0730984867435724 A483 -L512 0.0730713833824979 Q465 -G473 0.0727049247811329 K456 -L512 0.072059186688143 V462 -T468 0.0717569343373112 A525 -I538 0.0714784107510082 F497 -Q526 0.0712057297099173 I445 -R486 0.0711716197510803 A519 -D535 0.071034651740395 G467 -A481 0.0710191836226448 Q440 -R487 0.0709932755456844 Y441 -K456 0.0707104692787581 Q476 -F497 0.0706893914849385 Q526 -H551 0.0702165011916875 S461 -R477 0.0698731452264596 A448 -R482 0.0697693656012577 F451 -A511 0.0690780286557355 Q521 -I548 0.0686999788543647 Q447 -V462 0.0681934319239297 A511 -I531 0.0678412227180467 D494 -A499 0.0676002216683456 A448 -I480 0.0674865061571222 T504 -L512 0.0667730255854934 S479 -S496 0.0663475276362093 D501 -T529 0.0663365462704588 S479 -L492 0.0661654856809331 S479 -D494 0.0661201036487979 P488 -T520 0.0658784983113501 I522 -I548 0.0658576337206949 I445 -D460 0.0657416005160343 L478 -A511 0.0656835880132992 E444 -R487 0.065539779377211 E444 -L484 0.0654111435821232 R509 -A519 0.0648570083876329 T449 -R486 0.064619960066004 G466 -A481 0.0644631471739943 D450 -Q474 0.0643296113634461 A464 -K475 0.0642959110325716 T449 -S461 0.0642721681175642 S479 -Y491 0.0642567617151126 A499 -R527 0.0642267221467189 I531 -I548 0.0639120478235364 R509 -T520 0.0635664051909918 R477 -V485 0.0630946628623044 I490 -A534 0.0627650383161376 G473 -F502 0.0626826400455798 A442 -S461 0.0623752758007168 R477 -R482 0.0620164052397311 A525 -A534 0.0616515661649295 D495 -D533 0.0615129375504551 R487 -T520 0.0613501461864712 L484 -A511 0.0611018000139616 K503 -V528 0.0610453078524849 A525 -I532 0.0608238501061642 Q526 -I538 0.0602841662044642 I537 -G549 0.0602593233879465 A481 -F493 0.0600034454142013 A481 -L492 0.0599517307571074 L508 -I522 0.0598126349180044 L484 -A519 0.0596464655477407 F459 -T468 0.0593541580871484 Q476 -L508 0.0586070752049483 S443 -I463 0.0580283387241236 I545 -H551 0.0577705869088218 A446 -R487 0.0575077065860219 S496 -A525 0.0574814977751021 L540 -I548 0.0573594057711055 A511 -T516 0.0570372582246277 Q476 -A499 0.0567519820829743 A442 -A481 0.0567263889568457 R509 -A525 0.0566200377412893 R486 -N518 0.0565690835984309 L512 -I531 0.0563679447666576 G473 -S506 0.0560543232225484 Q447 -T516 0.0558333930621231 G458 -L470 0.055703275730469 I452 -S461 0.0556503232141496 Q465 -G472 0.0551661101303207 A511 -I532 0.0551269064865993 L470 -S479 0.0549830697200884 I463 -K475 0.0549704911819568 S506 -Q526 0.0549420337897608 G458 -S479 0.0547781550475919 A442 -I463 0.0546801488682318 V524 -Q536 0.0545578114598675 I463 -L478 0.0542748954396579 K513 -N518 0.0537681735138613 F493 -R509 0.0532775584951923 I531 -G549 0.0530567271957034 S496 -D501 0.0529670629840208 V462 -R482 0.0528419760298629 S471 -D501 0.0528368679759708 D460 -S479 0.0528325589548778 S479 -D495 0.0525500453266631 D457 -E515 0.0523198669499583 F497 -I523 0.0520371365711079 G473 -K507 0.0519141786888109 I523 -A546 0.0518339435281652 V524 -A534 0.051545108772233 Q476 -S496 0.0510972711115167 A448 -K456 0.0491898900458416 L470 -L500 0.0486405035625985 F497 -I531 0.04792451658437 D495 -L508 0.0478192788755676 R477 -G510 0.0475922656563643 Q476 -A511 0.0474834771265797 R486 -K517 0.0467897246196252 D535 -I548 0.046659073791854 I523 -H551 0.0464673353122582 F493 -L500 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