[Fri Aug 26 17:32:01 2016] >Input file: TMI2XGA3S2D.pdb >TM segments: A400-422_A473-533 MAIDEN score = 3.5211 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 ----------- ---------------- L496A-I526A 5.71295753702896 I493A-T523A 2.44563036047178 I495A-I525A 2.0099533676253 V414A-I495A 1.68338553035834 I495A-I526A 1.36663999623378 L496A-I525A 1.23816929252184 L412A-I493A 1.1518439673372 V415A-L496A 1.08822457623127 L421A-K478A 1.07903610504096 Q417A-L496A 1.06150760870647 L494A-I525A 0.928458876807587 R480A-I511A 0.899543052938263 A486A-W518A 0.883317373052386 V415A-D498A 0.856842555197547 V415A-I495A 0.847754801770406 L487A-W518A 0.846199578881105 L412A-L494A 0.79822075487056 Q479A-I511A 0.759294127061903 I483A-W518A 0.75816636783815 V414A-D497A 0.735759178113966 L494A-T523A 0.734715803540496 V414A-L494A 0.733315295851492 I495A-V524A 0.717602530412858 G476A-V503A 0.684670474722538 A413A-N490A 0.64388762103644 L494A-V524A 0.630532690477653 V414A-L496A 0.630288932648533 A491A-R522A 0.618729726996966 A413A-L494A 0.617111219153393 L412A-I495A 0.611274388326372 I483A-N514A 0.559385863226695 V415A-I483A 0.554827217085486 A413A-V489A 0.526651433498534 S416A-I495A 0.524687150683151 R409A-I493A 0.512264259475794 A413A-E492A 0.510746302842023 R480A-N514A 0.509796669623089 I483A-L515A 0.475527564636053 R411A-V489A 0.458165489558057 R411A-A491A 0.455461546506243 S410A-A491A 0.43961095412269 L496A-S527A 0.429527015109384 G475A-V503A 0.426759374901682 V415A-A486A 0.42021805222625 T418A-Q479A 0.409815393043959 Q417A-L500A 0.409637751422191 P419A-I481A 0.403798731551798 V414A-A486A 0.396460239030567 A413A-I493A 0.391273291018384 I493A-V524A 0.391121652525386 A499A-H529A 0.388409520082695 L500A-H529A 0.369054899541726 A413A-I495A 0.367364051147955 S416A-L496A 0.367315017011531 K478A-A502A 0.35452018337325 D497A-R530A 0.350000099619685 K478A-A486A 0.346026619755954 D497A-A528A 0.34480001380108 N490A-W518A 0.338098077350926 S416A-A499A 0.335254272595666 R411A-N490A 0.326211566233631 R411A-L494A 0.325473103312342 R480A-L515A 0.320699028180996 S410A-V489A 0.316731046347516 G476A-I511A 0.304721048737654 R485A-N514A 0.303450662252108 F420A-K478A 0.303110726501231 R506A-N514A 0.301539468022365 L403A-W408A 0.299058401107962 Q477A-E508A 0.297271732069101 G475A-S482A 0.295882395398244 L400A-W408A 0.295677632452959 G476A-S501A 0.289774880477019 L496A-A528A 0.289611047581321 G475A-A499A 0.285035943766344 D504A-H509A 0.28418992834688 L496A-V524A 0.284172172929814 L421A-G475A 0.28315563453853 L500A-R530A 0.278096373304747 Q417A-D497A 0.277786532475432 S416A-S482A 0.274894582824693 A502A-E508A 0.272603769471998 G476A-H513A 0.267719672440466 K478A-S501A 0.264721017179918 A486A-R522A 0.263969996547302 V415A-L494A 0.256272352936977 G475A-D504A 0.244408747265789 G519A-A533A 0.239788317444758 R411A-I493A 0.236815449356731 Q517A-T523A 0.23510757237704 L412A-A491A 0.232688547260259 Q417A-D498A 0.23153330688426 S482A-N514A 0.226269640799532 G476A-T507A 0.219752428369305 D497A-H529A 0.218417954274602 Q417A-K478A 0.217163717374114 S407A-L412A 0.21563287088021 Q479A-N514A 0.214968170560552 V414A-D498A 0.214965752698846 F420A-Q477A 0.21393748662717 Q510A-L515A 0.213412218086647 Q417A-G476A 0.20753609022662 Q417A-Q477A 0.205934058270839 L512A-Q517A 0.20359721471317 E492A-V524A 0.2023900227222 G475A-Q510A 0.200915842282201 I493A-G521A 0.199597885729958 R409A-N490A 0.199291542366763 R506A-R530A 0.195708645827068 H513A-S532A 0.195335199613223 T401A-D406A 0.194455745936072 V503A-E508A 0.194409793513195 G505A-H513A 0.190673344030573 V414A-G519A 0.188109441162902 K402A-R409A 0.186820796365627 E508A-A533A 0.183711727273191 K478A-E508A 0.180926324819666 N514A-Q520A 0.180085954947166 S410A-L487A 0.177978845306572 R480A-D497A 0.177920288771443 P419A-L500A 0.177294724077059 I495A-S527A 0.177283257477328 R480A-D504A 0.176677378257051 S501A-L512A 0.175567376750155 Q479A-Q517A 0.17277375381104 L515A-Q520A 0.171926578774825 V414A-E492A 0.171821659528416 I525A-A533A 0.169216771517467 L494A-G519A 0.168934552499562 L412A-G519A 0.165824387441415 T418A-I495A 0.163868748119705 Q417A-G475A 0.163800812936711 A499A-G505A 0.162030120346459 R480A-W518A 0.161054185593361 A413A-D497A 0.160047447616997 V414A-S527A 0.15948389259691 I495A-G519A 0.158282761859207 T418A-I511A 0.157681611256347 K478A-D504A 0.157082478586005 I495A-A528A 0.156574406861251 S416A-N514A 0.156477535199153 P419A-S474A 0.154879463237448 S416A-R480A 0.153254286552841 D497A-N514A 0.151601455405015 A413A-I481A 0.150023597306724 I483A-A499A 0.14995784001483 F420A-S474A 0.149895520814431 A486A-H513A 0.14845039063432 G476A-A499A 0.147810086132193 R411A-V524A 0.147448843645499 A486A-A491A 0.147433595321044 A491A-I525A 0.147400340679935 Q479A-R516A 0.1464506050982 R485A-Q517A 0.146352195211205 D497A-A533A 0.144663651821581 L496A-N514A 0.143898134069638 S474A-S501A 0.143845787386887 V415A-I526A 0.143754957407024 L500A-I511A 0.142585380974667 V414A-A499A 0.142253502415606 P419A-S501A 0.139754605621346 I483A-Q517A 0.138476714660453 A486A-Q520A 0.136832079632192 D406A-V489A 0.136050096505609 S407A-V489A 0.135664930818746 I481A-L512A 0.135562673773438 Q477A-I511A 0.135456851311687 R409A-A486A 0.134498840525051 S474A-A502A 0.132447216263066 L494A-I526A 0.132398417203059 G505A-R530A 0.131747057544645 T401A-S407A 0.131475817101221 A484A-R516A 0.129888937826537 I483A-H513A 0.128319551438467 Q477A-R506A 0.127941356784497 L421A-G476A 0.126417905546827 S482A-L512A 0.12553345788373 D498A-S532A 0.125314089150589 S407A-A491A 0.125286848527328 R480A-A499A 0.124922011197115 A502A-S527A 0.124891682016846 D498A-V503A 0.124635713658012 V415A-S482A 0.124443972457108 S416A-R485A 0.124116126808352 K478A-R485A 0.123504631014403 Q517A-A533A 0.122328342167259 F420A-G475A 0.121963478838312 K478A-I483A 0.121721587868791 A499A-H513A 0.120124803230886 D497A-I525A 0.118843939082888 Q517A-S532A 0.118706496148516 L496A-Q520A 0.11820628863715 S416A-I481A 0.117155495047993 P419A-L473A 0.116220790799628 L488A-G519A 0.116027129801469 A413A-G521A 0.115917626555765 I493A-Q517A 0.11589597694198 L494A-S527A 0.115227959446171 V489A-V524A 0.115080776478957 L515A-V524A 0.114962976649574 R516A-A528A 0.11423199457401 L487A-I511A 0.113632918908728 Q404A-R409A 0.113222859987486 T418A-A499A 0.1126268284144 D504A-R530A 0.112624942765026 E492A-Q520A 0.112581731894394 A486A-R516A 0.112341476532849 Q417A-L515A 0.112165066612687 R506A-I511A 0.111715191922645 Q510A-R530A 0.110063502577861 S416A-A491A 0.109990837933993 R516A-R522A 0.109905290013526 E508A-H529A 0.109862326490839 R409A-R522A 0.109389830230362 S482A-D497A 0.109096219995439 T418A-S474A 0.108729755809718 I483A-Q520A 0.107534362419729 I511A-R516A 0.107331757881696 E508A-R530A 0.106929834190585 Q417A-A499A 0.106879674259125 Q479A-L487A 0.104409783835982 N490A-N514A 0.10434514370118 R411A-R522A 0.103913855213885 G476A-H509A 0.102680550670723 A528A-A533A 0.102054178939972 A502A-S532A 0.101863302129979 G475A-I483A 0.101694271221037 T401A-R409A 0.100029388459269 S474A-D504A 0.0999528455310112 V415A-L515A 0.0994898637453847 L496A-L531A 0.0990763189527253 S482A-D498A 0.0990268118718671 E508A-R516A 0.09902131518003 I493A-G519A 0.0982501731130094 I495A-G521A 0.0978929536058034 A486A-G521A 0.0971665728981672 S482A-Q510A 0.0967382344327667 L487A-Q517A 0.0966105795103758 K478A-D498A 0.0956101749224292 L487A-L512A 0.0954259050744795 A486A-N514A 0.0947986882298895 A499A-L531A 0.0945871366167347 S474A-Q510A 0.094327713234172 P419A-A484A 0.0941926455307707 S501A-A533A 0.0938830959714154 Q479A-H509A 0.0938073862751811 R409A-E492A 0.0937811586782527 L487A-L496A 0.093754269151431 S501A-S532A 0.0932234940433085 Q479A-R506A 0.0916840256933829 A499A-L512A 0.0916260483258613 V415A-A533A 0.0913489941062049 A486A-T523A 0.0902720438014493 V503A-I511A 0.0901921138361335 R516A-T523A 0.0893520334780515 P419A-A486A 0.0881097044789785 P419A-D497A 0.087340186892551 V415A-R485A 0.0871561826242075 T418A-G476A 0.0870139611798442 R485A-G519A 0.0867387655617082 L400A-L405A 0.0865427661252709 A499A-I511A 0.0863183114433506 L500A-L512A 0.0858735152775156 A502A-A533A 0.0854691127030467 V503A-H509A 0.0853627385945961 P419A-D498A 0.0852373231618804 A413A-A484A 0.0849613678911574 Q479A-L500A 0.0841205909503406 S482A-A491A 0.0840892629462209 L515A-G521A 0.0840765411136517 L412A-V524A 0.0838335971209005 N490A-T523A 0.0837894843744706 G476A-G505A 0.0830768535872266 T418A-S527A 0.0828110273716423 Q417A-I511A 0.0823142410365745 V415A-L500A 0.081848907107505 V415A-Q517A 0.0813390064411688 A486A-V524A 0.0812946539751556 D498A-I511A 0.0812545807571783 S410A-A486A 0.0805742060957684 P419A-G476A 0.0805285620507743 L496A-G519A 0.0800112973642741 R485A-L496A 0.0798774068488152 L515A-S532A 0.079489319404864 G475A-R506A 0.0790122385063328 R411A-G519A 0.0785740558876435 S416A-A484A 0.0779728727984619 V414A-N490A 0.077520231756772 S416A-G476A 0.0761792234990519 V414A-I483A 0.0760208399361826 I495A-Q520A 0.0755932414134768 V415A-L421A 0.0743947121380693 S410A-L494A 0.0743154240500075 L487A-G521A 0.0734396415681124 L405A-I493A 0.0733544949160891 S416A-H529A 0.0729057465278731 I481A-W518A 0.0719955184776762 R480A-V503A 0.0719150659772669 I483A-I511A 0.0717312726909682 A499A-A533A 0.0714399465377484 L496A-Q517A 0.0711161868753942 L496A-R522A 0.0709744743993064 P419A-L487A 0.0708980862297981 L421A-R480A 0.0707175172535056 Q520A-I526A 0.0700952944352586 S501A-H509A 0.0698460652803926 Q417A-V503A 0.0697981392087227 Q417A-R485A 0.0696814939936204 F420A-A499A 0.0695678294796034 V503A-R530A 0.0695033364598667 Q417A-I481A 0.0688224021826402 L403A-S410A 0.0682428177776235 S410A-L488A 0.0680030528286055 I483A-I493A 0.0673960701743015 H513A-A528A 0.0672301149790799 L473A-I511A 0.0671578343489809 L512A-L531A 0.0668763781440971 G475A-L500A 0.066579650407661 A502A-L515A 0.0663732288356699 L515A-R522A 0.0662431688469947 L405A-A413A 0.066162626060995 L400A-S410A 0.0660442243557271 Q520A-S532A 0.0660059327622582 R485A-W518A 0.0656884241945788 R522A-A533A 0.0648288129156145 G475A-A484A 0.064615917074945 G476A-N514A 0.0639119563836426 L496A-I511A 0.0636229479468291 R480A-L496A 0.0632588591814116 A491A-I526A 0.0627650383161376 L494A-L512A 0.062377401860199 V489A-R522A 0.0622179620278651 A413A-I483A 0.0619967534711785 V414A-I481A 0.0610907084488934 L512A-R530A 0.0610792587682116 D504A-L512A 0.0609827078175025 I483A-H509A 0.0605747071646213 Q479A-E508A 0.0596707622765895 D498A-E508A 0.0591333276585821 L488A-I493A 0.0588209885426643 I493A-L515A 0.0586852099967796 S416A-G519A 0.0583313595967154 L421A-S474A 0.058087414455086 I481A-H513A 0.0572935597140101 I511A-L531A 0.0571238741019009 A491A-Q520A 0.0570124032159578 Q520A-A533A 0.0569216424404251 L400A-I493A 0.0567177306599167 T418A-R485A 0.056675106683342 V415A-A491A 0.056344790110936 L512A-S532A 0.0555519251777383 R516A-S532A 0.055352168154142 E508A-S532A 0.0551272928393547 A484A-I495A 0.0549527246168928 V414A-R522A 0.0548963790573631 Q477A-V503A 0.0547644944476406 G519A-I525A 0.0546138647991228 A491A-L496A 0.0543334472307606 L412A-I483A 0.0536067896376471 F420A-L496A 0.0534646434472483 V415A-R516A 0.0533683020875546 S501A-A528A 0.0533040976784269 V414A-R480A 0.0531695852375392 R516A-I525A 0.0527333996938395 V415A-L512A 0.0527014760431532 L400A-R411A 0.0523595777133101 Q417A-A502A 0.051999415145177 L412A-L488A 0.0519946246918597 I511A-Q517A 0.0519874187189986 R409A-V414A 0.051582664820585 Q479A-A502A 0.0515046419940414 I483A-T507A 0.0510584058617627 A484A-G519A 0.051033947900307 A486A-Q517A 0.0507482580843016 G519A-S532A 0.0505855667668049 I495A-R522A 0.0504452007421161 T418A-A502A 0.0504231958065198 Q417A-A528A 0.0503196847269325 T418A-I526A 0.0499904119801671 L400A-L412A 0.048646831663576 G475A-G505A 0.0485352392220011 A484A-L512A 0.0482045630103487 S416A-V524A 0.0476742932080692 A502A-A528A 0.0467458130836378 G475A-N514A 0.046740196982316 I493A-I525A 0.0466739331299282 R480A-R506A 0.0463212940560234 R480A-R485A 0.0457499021732524 F420A-Q479A 0.0455501347070006 S474A-T507A 0.0453824076792575 L512A-H529A 0.0452842016078195 I511A-R530A 0.0451874362640776 Q479A-D497A 0.0450485786956334 A484A-A491A 0.0445978874807116 S501A-S527A 0.044541246444735 T418A-L496A 0.0442034701336667 N514A-A533A 0.0441402165684113 I493A-R522A 0.0422940413823056 S482A-G519A 0.0421669727661587 R409A-V415A 0.0416009053842883 H513A-I526A 0.0415382008458576 L487A-V524A 0.0414147006015346 A486A-L494A 0.0409488761261123 G475A-H509A 0.0409244669976428 G505A-N514A 0.0394654697610175 I481A-T507A 0.0390777068096528 H509A-Q517A 0.0390408862755318 L515A-T523A 0.0389453036657448 Q479A-A486A 0.0384824500719849 S482A-H513A 0.0379264405406392 S416A-L500A 0.0377683451665547 R516A-L531A 0.0376928212111221 Q417A-I483A 0.0376801472645814 I493A-I526A 0.036933324001148 S416A-Q477A 0.0365535045121703 L473A-S482A 0.0365481286831211 L500A-H509A 0.0363871248876504 L500A-A533A 0.0362686472376654 D497A-T523A 0.0362219929801031 F420A-G476A 0.0362025784120648 S501A-T507A 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