[Thu Aug 25 00:30:22 2016] >Input file: TM2WJRCGG.pdb >TM segments: A13-24_A28-39_A43-52_A59-67_A76-82_A92-97_A117-123_A134-140_A155-161_A173-180_A192-200 MAIDEN score = 342.9136 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 ----------- ---------------- Y173A-G199A 10 Q136A-A159A 10 V46A-T66A 10 G92A-Y122A 10 T59A-S82A 10 M33A-Q45A 10 E175A-R197A 10 D177A-S195A 10 N36A-D43A 10 V21A-M33A 10 G63A-Y78A 10 L65A-G76A 10 R96A-R118A 10 E34A-Q45A 10 G121A-T137A 10 V48A-M64A 10 R94A-W119A 10 W119A-L139A 10 V123A-W135A 10 T17A-T37A 10 F160A-Y176A 10 R61A-K80A 10 W30A-N49A 10 L81A-I93A 10 Y15A-N39A 10 T138A-E157A 10 S32A-E47A 10 R94A-D120A 10 I52A-V60A 10 L19A-S35A 10 N158A-Y178A 10 A134A-V161A 10 K20A-M33A 4.69922350711437 V79A-Y95A 2.34992247879001 L179A-E193A 1.80180825522379 I52A-T59A 1.48912788847519 I174A-I198A 1.36725080609446 Y140A-A155A 1.2998374824131 H13A-N39A 1.26757739385827 V161A-I174A 1.21582091786738 V79A-I93A 1.01747538051372 D43A-H67A 0.997079140300494 W135A-F160A 0.996688210065166 T156A-L179A 0.959182830458452 V123A-A134A 0.888337996934631 W135A-V161A 0.884234897075889 A14A-W38A 0.883798100032259 A155A-D180A 0.874343966243047 V46A-L65A 0.874272716135277 I52A-R61A 0.867237434122942 W30A-V48A 0.803201781230435 L139A-T156A 0.784418505523986 E157A-D180A 0.781831304959474 E47A-M64A 0.768263260269224 Q45A-L65A 0.736748238501011 A159A-E175A 0.716724458090312 I93A-W119A 0.704135534031906 D120A-Q136A 0.655069941199571 Q45A-H67A 0.64832329397848 A31A-V46A 0.644184395442916 W30A-A51A 0.614947350334075 D177A-E193A 0.614493293497187 E34A-D43A 0.607107088389904 T17A-N36A 0.601673459013252 Y50A-G63A 0.588580404883065 L179A-S192A 0.587319441552185 V48A-L65A 0.5856952573318 V60A-L81A 0.585686413780065 W29A-A51A 0.583677528063788 V161A-Y173A 0.569663273242707 V21A-S32A 0.563494956035811 M33A-V46A 0.557870311943594 I93A-Y122A 0.553987464155037 F160A-I174A 0.55398742391337 A51A-P62A 0.552384823863352 V44A-T66A 0.551668792784659 E23A-W30A 0.551560642086589 E157A-D177A 0.509612361247118 L65A-Y97A 0.504203738187321 W119A-T138A 0.462690033851355 S82A-G92A 0.453200954875248 N36A-H67A 0.451151891404775 L19A-E34A 0.450486130304554 L65A-Y78A 0.447014373497319 V21A-A31A 0.446681879061513 M33A-E47A 0.444253107943679 Y50A-V60A 0.443711657166352 Y78A-Y97A 0.442358696032712 L65A-R96A 0.429194773855275 W119A-Y140A 0.428146248299998 V79A-R96A 0.424599286132219 T138A-T156A 0.417082457449235 E23A-A31A 0.409221450414921 K80A-G92A 0.397671099645228 S32A-H67A 0.391550043876733 M64A-G76A 0.383695859865265 L65A-P77A 0.383021201149458 Y173A-V200A 0.382340859502161 A31A-A51A 0.378752144910731 V60A-V79A 0.376869397393298 V48A-R61A 0.37686872658916 K80A-I93A 0.361500833112094 E34A-V44A 0.357379216152264 V123A-Y176A 0.356729454416715 S32A-V46A 0.35439481866614 R96A-L139A 0.351790819176286 P77A-W119A 0.351661928900309 W135A-N158A 0.347324561940503 G28A-I52A 0.344477751326038 Y122A-A134A 0.344266217730143 H117A-L139A 0.344217597480916 R94A-L139A 0.342498657122515 Y173A-I198A 0.340457706777304 V161A-E175A 0.338392743261467 T37A-D43A 0.337140546971781 G24A-A31A 0.336108861180673 P62A-P77A 0.33043599668807 K80A-R96A 0.328632992971544 R61A-V79A 0.328336643012776 A159A-Y178A 0.326018280391621 V48A-P62A 0.325978070348878 I93A-D120A 0.325707176976664 A51A-T59A 0.324499150414763 V46A-Y97A 0.316483199785133 A155A-L179A 0.313427091601644 D120A-L139A 0.305773018663769 Y50A-K80A 0.304576573910501 S35A-H67A 0.300378645415125 A14A-S192A 0.297637842238534 L19A-M33A 0.290799836872377 G24A-E47A 0.289162565414771 W29A-T59A 0.285468751893828 T59A-L81A 0.279725394251479 S22A-M33A 0.277814764741213 L19A-G199A 0.276781469806167 N39A-E193A 0.267612405223759 S82A-G121A 0.267488508068225 W119A-T137A 0.265877972656786 W30A-Y50A 0.265318629299391 R18A-N39A 0.265217134905944 Y140A-D180A 0.264086400436111 K80A-H117A 0.259994292801441 R61A-Y95A 0.258450474866054 G63A-L81A 0.256819185104489 T138A-A155A 0.255280726798461 Q136A-E175A 0.254056691133637 V60A-K80A 0.252085430274553 M64A-P77A 0.250423555122376 M64A-Y78A 0.247791639873698 S35A-V44A 0.247769039238244 N36A-E47A 0.247488252668674 E16A-G199A 0.243606364521574 A31A-E47A 0.240857853227586 P77A-Y95A 0.240685807967343 W29A-G63A 0.240496725041363 G63A-K80A 0.237528113886064 M64A-D120A 0.237258047136574 M64A-R118A 0.237191890895173 G121A-W135A 0.23640172570418 R94A-Y122A 0.236190130995386 S32A-G63A 0.235692836709503 W29A-V48A 0.234965088527209 Y95A-W119A 0.23329578629142 Q45A-P77A 0.228003301865503 G76A-Y97A 0.224434922953164 H13A-S195A 0.22250003093473 Q136A-F160A 0.221902316741095 M64A-R94A 0.221737576316786 I52A-V79A 0.220520583984609 H67A-P77A 0.220435164957045 V21A-D43A 0.220041334430598 E47A-P77A 0.219982767196315 H13A-T37A 0.218028205639872 G92A-A134A 0.216969786063499 V21A-E47A 0.216349225784132 E16A-Y196A 0.216163643470008 L19A-N36A 0.214520010705493 E175A-I198A 0.210674913848511 R96A-Q136A 0.210513005089468 K20A-W30A 0.209622785864011 L81A-D120A 0.208574634844704 R94A-G121A 0.207721363182301 S32A-L65A 0.20732539039661 W30A-I52A 0.206282494680561 Y140A-N158A 0.204922195034751 V46A-M64A 0.204870675841021 I93A-W135A 0.20425667246401 D120A-A159A 0.20340509502885 A134A-A159A 0.201740333895514 I93A-G121A 0.200957088143173 N49A-P62A 0.200507791483729 V79A-G121A 0.198596965454489 N158A-R197A 0.19664401773824 N49A-G76A 0.196300456453469 N49A-T59A 0.19616469907668 Y78A-R94A 0.195919384581156 T156A-N194A 0.195495327207471 T138A-D177A 0.194064217326995 Y140A-E157A 0.19105180263363 M33A-N49A 0.190745630462231 G28A-N49A 0.190704038199197 G24A-V48A 0.19006892796724 P62A-G92A 0.187304925147927 Y140A-Y178A 0.186039977511643 V123A-Q136A 0.185763213794775 Y50A-S82A 0.184303811637237 Y97A-D120A 0.184215658067784 R18A-Y173A 0.184029785400632 Y15A-E193A 0.182725731296638 Y15A-S35A 0.179293237897423 T137A-L179A 0.178731532101626 H117A-T137A 0.176991751851935 D120A-T138A 0.176806458344027 S82A-Y95A 0.175934004102628 P77A-D120A 0.175653851361027 W119A-E157A 0.175398797899314 L179A-S195A 0.174622256585808 Y50A-G76A 0.173848440575837 E16A-W38A 0.173722521127529 G121A-Y178A 0.173463270797205 S32A-Y50A 0.171647400409021 Y176A-N194A 0.16872528167651 Y78A-G92A 0.167961836792752 Y173A-S195A 0.166919757642931 G24A-P62A 0.164304017903078 I52A-I93A 0.16320131166878 V48A-Y97A 0.156355184216026 G63A-G92A 0.155857270192139 W30A-T66A 0.153669960918082 E47A-R94A 0.153565204552482 R18A-E34A 0.151238236099022 N49A-G63A 0.151004617780359 E175A-E193A 0.149998328022754 V44A-H67A 0.149856861785853 V161A-S195A 0.149583091606754 S22A-M64A 0.149221499413978 E23A-E34A 0.149074614639493 Y78A-R118A 0.148909788659567 N158A-Y176A 0.148025639124893 D120A-N158A 0.147540774027392 A14A-R197A 0.145325088496703 A31A-H67A 0.145199607515422 Y78A-W119A 0.145012419804917 H13A-Y196A 0.144637952481734 K80A-T137A 0.144435358142035 Y178A-Y196A 0.144272500701671 I174A-G199A 0.14354711660282 E157A-N194A 0.14345154797875 V60A-R94A 0.143116845064216 V60A-G92A 0.142931793583339 S22A-V46A 0.142346121814221 N39A-N194A 0.141813054308782 Y50A-Y95A 0.141743004461031 Y78A-D120A 0.138281655607897 S32A-V48A 0.137782105482573 W29A-Y50A 0.136684582135157 G76A-W119A 0.13348525584213 G28A-G63A 0.133430323646252 E16A-E34A 0.132583136344955 I174A-V200A 0.131905104909213 G92A-R118A 0.131705110989758 T138A-L179A 0.13100976192694 N36A-V44A 0.130580466395827 R96A-Y140A 0.130210997504935 P77A-H117A 0.130173619400225 T37A-I198A 0.129780074222211 Y15A-N194A 0.129506306627251 T137A-D177A 0.12781276372954 L81A-G92A 0.126128082976042 W30A-K80A 0.125872688361373 N158A-Y196A 0.124950589271909 E47A-K80A 0.123388097889386 A134A-D177A 0.12338363674793 H117A-T156A 0.123143870197078 A31A-R61A 0.122804538238608 V79A-H117A 0.122677698371713 R94A-Q136A 0.122620755798304 T17A-Q45A 0.122532613863119 G121A-F160A 0.122221782030411 S82A-D120A 0.121777875732079 R18A-Q45A 0.12129229615713 V21A-S35A 0.120941426076877 I52A-K80A 0.120750308955852 V123A-V161A 0.120718105572692 S32A-A51A 0.12050983973653 F160A-G199A 0.120294538166147 A31A-G63A 0.119488274991202 Y50A-I93A 0.119449708002878 K20A-G199A 0.11851701786811 E23A-W29A 0.117931218050293 S22A-A51A 0.117898391424641 S22A-V48A 0.117874524945819 T156A-S192A 0.116529589090814 G121A-T138A 0.115448418442397 V48A-H67A 0.115213918653997 E16A-N36A 0.114936774652549 A134A-R197A 0.114281648761195 N36A-R197A 0.113829667380938 E175A-V200A 0.113324495787644 S35A-T66A 0.112189935677535 R61A-I93A 0.111928775907326 N36A-Q45A 0.111719182811939 V79A-Y122A 0.111501890475288 T17A-S195A 0.111356633445687 E47A-P62A 0.110581012878395 L65A-K80A 0.109742069105514 R118A-T138A 0.109513966258631 A51A-V60A 0.109333430687869 G28A-R61A 0.108669197978002 Y50A-L65A 0.10641301332514 G92A-A159A 0.106267123040126 E16A-R197A 0.104974728730262 W29A-K80A 0.104334558363631 R18A-I198A 0.104057248334031 F160A-E175A 0.103118831996118 Y122A-E157A 0.102819001426518 K20A-N36A 0.102444400461039 A159A-N194A 0.10230033263208 A159A-D180A 0.10171468777687 T17A-V200A 0.101675537687938 V46A-P62A 0.101626804574221 G28A-M64A 0.100631458402474 A51A-G92A 0.100629022944525 A31A-T66A 0.100600935766784 G92A-L139A 0.0997988576001871 G24A-I52A 0.099780587834026 V46A-V79A 0.0994817059424733 T17A-G199A 0.0988889779196589 S35A-Q45A 0.0974793925834434 G28A-E47A 0.0973289923427605 T66A-P77A 0.0972466916867596 Y50A-G92A 0.0971538521136379 R96A-T138A 0.096722974366908 T59A-R94A 0.0966733874024491 P62A-R96A 0.0964264800560035 H67A-Y97A 0.094645495718064 E157A-E175A 0.0941891958281427 G76A-R96A 0.0931599118531503 T137A-D180A 0.0927345050273232 S32A-Q45A 0.0922404207901113 T17A-M33A 0.0911966517708963 T138A-V161A 0.0908531544792335 G121A-T156A 0.0903251155463605 A14A-N36A 0.0887262407496312 G92A-T138A 0.0879844578357883 A159A-Y173A 0.0876065422324368 E16A-E175A 0.0870718449244334 L81A-R118A 0.0860363433370125 I174A-R197A 0.0857658983631309 L19A-D43A 0.0856834055834774 A14A-L179A 0.0845924390039192 V79A-L139A 0.0843460500937077 R18A-W38A 0.0842347876867748 T66A-R96A 0.0837396036599789 Y50A-R61A 0.0822027694429526 Q136A-S195A 0.081890758184282 A134A-G199A 0.0808595879060094 A134A-Y173A 0.0807025140893405 A134A-V200A 0.0804078453983372 Y78A-H117A 0.0794996307468852 G24A-T59A 0.0794435199884145 Q136A-I174A 0.0792732018396904 V60A-S82A 0.0790268602208593 A31A-P62A 0.0789819008311774 R61A-S82A 0.0788790693434156 Q136A-R197A 0.0788782938207075 T156A-S195A 0.0788339099618502 L19A-A31A 0.0776608474775702 Y122A-N158A 0.0773888626448915 T137A-E193A 0.0769125558086143 N36A-Y196A 0.0761341414893733 A155A-S192A 0.0759183341835905 L81A-V123A 0.0746938392626326 G63A-S82A 0.0738640269232778 A159A-I198A 0.0735050227338574 A31A-V60A 0.0732259522941563 Y122A-T156A 0.0728172274493248 A134A-Y178A 0.0716605910328334 L65A-R118A 0.0715225558585201 V44A-M64A 0.0710631354634099 G28A-K80A 0.0706672209724659 V21A-N49A 0.0704284711035938 R18A-T37A 0.0701656586877641 W135A-I174A 0.069623865788123 Y50A-Y78A 0.069252770737978 L19A-Q45A 0.0691458670588292 T17A-V44A 0.0686165457961853 V48A-G63A 0.067863634088436 R94A-V123A 0.0674373473467631 V48A-I93A 0.0672840798148728 N39A-Y196A 0.0672739718784749 E23A-Y50A 0.0670913968168305 L65A-W119A 0.0670521576093819 A51A-M64A 0.0668230320799437 N49A-Y97A 0.0666718070244023 A31A-P77A 0.06629698959732 Y122A-Y176A 0.0662190023626437 R94A-W135A 0.0656675686624251 Q136A-A155A 0.0655852780255888 N39A-R197A 0.0655787332245406 V161A-Y176A 0.0655155013833415 G28A-T59A 0.0654593227746951 V48A-Y95A 0.0652774659124784 A31A-I52A 0.0648168829375333 E16A-E193A 0.0643991351610812 V161A-Y196A 0.0638974574723936 A31A-V48A 0.0635781289336017 R96A-T137A 0.0635414074229418 I52A-Y78A 0.063448581768657 R18A-R197A 0.0631214265238289 A134A-E157A 0.0630306534187319 K20A-T66A 0.0626324048462483 W135A-A159A 0.0624698489673574 R18A-Y196A 0.0590925288922239 Y140A-L179A 0.0582672247505336 N49A-L81A 0.058041395632717 W29A-V46A 0.0571860851970376 K20A-V200A 0.0570745004722983 E23A-Q45A 0.0562146464043742 I52A-G63A 0.0556891849427821 S32A-G76A 0.0555381054131129 P77A-Y140A 0.0554181740553055 N158A-I174A 0.0549938583052407 W30A-E47A 0.0547746772545695 G24A-M33A 0.054231546194754 R96A-H117A 0.0537979969145925 R94A-R118A 0.0533976032812233 P62A-I93A 0.0530458229473822 T37A-Y196A 0.0524825250833998 N49A-Y95A 0.0523954795912759 I52A-M64A 0.0522384461397056 K80A-Y97A 0.0511188079067333 A134A-F160A 0.0509861524953426 T59A-Y95A 0.0503312152563034 V48A-R96A 0.0500456597090484 G121A-V161A 0.0498795333370303 Y15A-Y196A 0.0497848783124691 R118A-Q136A 0.0492596944477675 D120A-T156A 0.0487645740590681 R61A-Y97A 0.0485731623984433 G92A-V123A 0.0480230687707053 E157A-S195A 0.0479336049625001 I174A-Y196A 0.0470669579786254 E16A-D177A 0.0470143012024895 D120A-A155A 0.0467762345112384 Y173A-Y196A 0.0465500631327787 G24A-M64A 0.0458318959361668 E16A-Y176A 0.0455159117395505 S82A-Q136A 0.0452646837869706 A51A-V79A 0.0448163816781104 G92A-V161A 0.0446448477664918 T137A-A159A 0.0443609929757249 S32A-P77A 0.0443162994077344 G121A-Y140A 0.0441475124942876 S32A-D43A 0.0440070775865579 W135A-D177A 0.0412019267084349 R18A-V44A 0.0411579674597569 G63A-I93A 0.0403516262128631 Y122A-V161A 0.0400097377477322 S35A-G199A 0.03999577709161 S22A-V200A 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