[Wed Aug 24 17:17:53 2016] >Input file: TM2XZBATD.pdb >TM segments: A109-126_A137-155_A301-321_A329-348_A783-801_A811-831_A858-876_A930-947_A962-978_A998-1015_B40-59 MAIDEN score = -82.9934 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 ----------- ---------------- D137A-C813A 10 P794A-S871A 10 M113A-I146A 1.57480381726789 I945A-E1013A 1.3055606366216 M113A-L145A 1.27389720379152 L345A-I785A 1.22133734014311 K783A-K947A 1.21138339641241 I940A-I968A 1.20648450487787 F316A-F333A 1.11340424835485 I819A-E936A 1.03365063118979 W114A-I146A 1.01611282976174 I304A-V341A 1.00502446074638 E795A-L811A 0.929649409080732 I866A-I1008A 0.923297558299266 Q110A-I146A 0.877754938300688 P794A-A868A 0.87100300112952 I793A-Q870A 0.868171544500148 S830A-L964A 0.8235561676525 I866A-D942A 0.808540517541968 I933A-W998A 0.80568989883909 I336A-L796A 0.80136622494316 A786A-R946A 0.794136513974124 L121A-L139A 0.746307814272386 F124A-L139A 0.743656785623264 F316A-F332A 0.73886343139266 T876A-V1000A 0.711724315002614 I869A-I1008A 0.707400676571531 I785A-S828A 0.698346987318306 V148A-E343A 0.669874075242021 I59B-T876A 0.666957952091249 D824A-Q971A 0.666904356124346 L789A-Y863A 0.665338477343772 Y799A-L811A 0.661939216212247 A941A-L1006A 0.660815907270197 L831A-L964A 0.655685743088766 L811A-F931A 0.65525249233074 I819A-F932A 0.653640891439637 A116A-L145A 0.647922332894523 L307A-Y340A 0.645493058188101 Y340A-L789A 0.639006835464468 I869A-F1004A 0.631624662342485 V338A-E343A 0.625474541248586 V930A-W998A 0.620880929353444 G312A-F332A 0.619562616910023 F315A-F332A 0.614555983799606 Y44B-V49B 0.599980809670626 L831A-R946A 0.585212565752666 V338A-N792A 0.585120913835418 D824A-E936A 0.581962893100942 P794A-G874A 0.575625477919428 F826A-Q971A 0.575591953112555 G874A-F931A 0.572015005770657 C822A-C976A 0.555269819193687 T815A-F932A 0.553381661320184 G874A-P1001A 0.548688409933229 F826A-L964A 0.538487067088739 F818A-T823A 0.536616902781875 F316A-M330A 0.533952602976289 F875A-F931A 0.533434726954741 F315A-A329A 0.525693887545737 S871A-I935A 0.525666033667454 L1007A-D1012A 0.525412307059202 L944A-F1009A 0.525026903150066 G874A-F932A 0.524433722283925 F818A-D824A 0.522275392476225 L811A-F932A 0.521608812263266 I304A-Y340A 0.52098481429213 A786A-Y861A 0.51957898929855 I816A-F932A 0.514598987958984 I793A-S862A 0.513316773928137 F315A-F333A 0.510644583453938 A308A-V341A 0.510489551335386 A305A-V341A 0.510102258232996 A859A-F864A 0.497011850989946 M51B-I869A 0.493926695635818 P794A-E820A 0.493135172863886 A123A-M330A 0.491726149888939 F55B-F872A 0.491471250194795 G312A-V337A 0.480847873494533 M320A-A329A 0.478902950878757 L811A-I816A 0.477111725886472 A308A-I336A 0.47439996062905 N138A-A335A 0.473755062501594 C120A-E343A 0.47099617501796 E343A-C813A 0.470973990076438 A147A-T152A 0.468740962918877 C822A-I974A 0.468051531931178 F124A-D137A 0.467009899502089 S784A-R946A 0.466936560368453 Y861A-I866A 0.461902133918985 P794A-I935A 0.461508259515459 P827A-L964A 0.458347623529596 P342A-E795A 0.455075393358544 I793A-Y863A 0.45413465333327 Q870A-F1004A 0.452836078533878 Q870A-P1001A 0.450896408789502 P827A-Q971A 0.450458865382791 K791A-I935A 0.449778131137442 Q939A-K947A 0.449076349467061 T790A-E820A 0.442501422224603 K783A-P827A 0.440892706732297 G874A-V930A 0.439352287942317 T788A-E795A 0.438985547132846 Y48B-Q870A 0.437310950384576 I785A-R946A 0.43445155741192 F315A-I336A 0.43406611090355 V1010A-R1015A 0.433303053682352 F826A-I966A 0.432305214281633 C120A-D137A 0.429615863447022 C938A-M1002A 0.428893013532181 D824A-Q939A 0.427723627487422 A873A-V1000A 0.426665716697436 G344A-T788A 0.422844341894903 E820A-C938A 0.420141530807164 M937A-M1002A 0.419959745214681 T790A-Y861A 0.419008123735257 K791A-Q865A 0.418864581701939 G344A-I825A 0.417036518249821 Q870A-C938A 0.415955611523561 M937A-I968A 0.411114023193528 E795A-I816A 0.410318831688449 I317A-A329A 0.404089013891797 I122A-M330A 0.403602918845974 A117A-L141A 0.401313526694674 I309A-M334A 0.400107601317526 A123A-M334A 0.399705868821746 T348A-S828A 0.398768324912978 V338A-L796A 0.398619928900747 V943A-L964A 0.398233493683598 L141A-V338A 0.398088286496429 F311A-I336A 0.392384360417191 E820A-I825A 0.391781766573386 A941A-I1008A 0.391395861049981 N792A-Y863A 0.391197745890776 A308A-Y340A 0.390335977979873 P342A-L789A 0.388033504606708 C938A-K947A 0.387733294765544 C938A-P1001A 0.386812675353249 A116A-V337A 0.38671399733267 T815A-E936A 0.386327033477908 T790A-E936A 0.386100562134375 A117A-A335A 0.379182251834196 T788A-E936A 0.379033080492097 A116A-A339A 0.378674879210632 I304A-A859A 0.3785198822964 L109A-V301A 0.378295116995075 S934A-V1000A 0.377519265227376 K791A-Q939A 0.376750143152798 T348A-E820A 0.376520391999569 I940A-R946A 0.373930049325182 K791A-Q870A 0.373636013399362 I933A-G975A 0.373539126287479 A118A-A144A 0.372743681928438 Q870A-G1005A 0.372593308144285 Q939A-G1005A 0.37124249947434 A117A-I146A 0.370542848909651 L345A-S784A 0.367722858009227 Y787A-S862A 0.367528017661995 A118A-A142A 0.365323603780729 T790A-D942A 0.365237825133129 I122A-M334A 0.364544759314104 F826A-I968A 0.362332887951496 P798A-L811A 0.361944070765733 W998A-P1003A 0.35989578457628 A873A-C938A 0.357608544267877 V341A-Y787A 0.356503233677052 Y140A-V337A 0.356473039278853 W114A-I119A 0.355224804540565 V115A-Y340A 0.354234731462253 T823A-V972A 0.351663564427826 S52B-L57B 0.350454918353292 F872A-F1004A 0.349424753819253 S830A-I963A 0.349356400284277 P827A-V943A 0.349353519599319 E795A-C822A 0.348008669955948 T348A-S784A 0.347958141245135 A56B-A873A 0.346299988132518 A116A-A142A 0.344753107523558 P827A-Q939A 0.343502815761443 C120A-A142A 0.342828069357875 T876A-C938A 0.341635580250094 I945A-F1009A 0.340564566902434 V49B-Y1011A 0.339415317709987 C111A-T152A 0.339414081359733 I1008A-E1013A 0.338178666713883 G306A-Y863A 0.337536270347822 D137A-V338A 0.330356569245215 L121A-A142A 0.329902605599547 P827A-I968A 0.32943157198012 A786A-L858A 0.326560043233784 C58B-P1003A 0.326504506293371 A305A-Y340A 0.325827296195861 P827A-K947A 0.321174528283485 Y340A-N792A 0.321023844273518 I825A-C938A 0.320837438655051 E795A-Q939A 0.320626907752616 C938A-I1008A 0.318178730247918 T823A-G975A 0.317726264572159 F55B-F1004A 0.317475722337308 G344A-A786A 0.31719419367945 M937A-G1005A 0.315503428648159 F55B-C938A 0.315326027791335 T152A-L346A 0.314401081546072 V341A-L789A 0.314362639342975 K791A-I819A 0.314054570455791 S934A-W998A 0.313011728685674 Q870A-I935A 0.312403855497718 F315A-L800A 0.312117937567056 K791A-C813A 0.312080672550356 A339A-G344A 0.30974850428204 T788A-C938A 0.308698695679073 I940A-G1005A 0.308293972574801 F826A-F970A 0.307153576174284 I816A-C938A 0.306777973782608 Y48B-G867A 0.305143549337662 G812A-G874A 0.3037390172029 A125A-A142A 0.303553463307122 A339A-E795A 0.302959540043007 P798A-F875A 0.302647698785854 G312A-M334A 0.301549282572358 K783A-L831A 0.301033778432025 L109A-L346A 0.300905468611823 L345A-T788A 0.29845221034234 T790A-P827A 0.295509939324683 T788A-C822A 0.292301676226571 S934A-A941A 0.291920835106499 D942A-F1009A 0.289329548152158 Q939A-M1002A 0.288725153583902 K791A-A860A 0.288605496386279 G874A-L999A 0.287224121369928 W114A-L145A 0.286675619341431 D942A-V1010A 0.285948682665218 I793A-A868A 0.284006032990818 N792A-G867A 0.283744380407347 C120A-A335A 0.28323282725835 P342A-N792A 0.281582277284329 T797A-S871A 0.281094036767369 N792A-C938A 0.280734203416087 E820A-Q939A 0.279541970759043 N792A-C813A 0.278657479320494 L789A-A859A 0.278606942465997 C120A-L141A 0.277316518932409 K783A-A941A 0.276249383486816 N138A-E343A 0.275586567676672 N138A-M330A 0.275429193861154 A786A-A859A 0.275264943023739 Q110A-V148A 0.274197694109308 T797A-T876A 0.273979921047706 C120A-N138A 0.273959592382246 Y787A-Q939A 0.272932373737998 M937A-V1010A 0.272846640771805 L858A-G867A 0.271967132908913 E343A-F818A 0.271375317701831 C120A-L139A 0.270562333685405 L789A-S862A 0.270207396145246 L796A-G874A 0.269577626560856 L817A-C822A 0.26629863600868 S828A-V943A 0.26527437996779 L858A-Y863A 0.265000181295945 K791A-Y863A 0.263455941583413 L109A-G153A 0.262601522069009 I126A-M330A 0.262016653044672 C938A-E1013A 0.261152058376286 S784A-V829A 0.256709048953187 I309A-F333A 0.256699673502041 T823A-C938A 0.25639423670762 Y44B-G53B 0.256048720287124 D302A-L307A 0.252592517501076 E820A-Q971A 0.250558670168357 V338A-E795A 0.250336635695204 V148A-G153A 0.249469381974352 D137A-A142A 0.249194558397238 C120A-Y140A 0.248676948066733 G874A-W998A 0.248297054139364 P794A-E936A 0.24724864591894 E820A-P827A 0.246924379949464 S830A-A967A 0.246794286476055 W114A-M334A 0.24649152930292 A117A-L143A 0.246374033685386 T348A-T823A 0.246247821134374 P342A-S862A 0.245087917828284 N792A-Q870A 0.244257820951152 L109A-G344A 0.242316769300283 D824A-V965A 0.24098058097764 T788A-D824A 0.23956375072764 Q865A-F1009A 0.237989957175224 F155A-A347A 0.237427550309603 T314A-L800A 0.237024351844184 T788A-L858A 0.236113960799387 C111A-I304A 0.235632687863085 Y799A-S871A 0.235328163685929 D137A-I814A 0.235198307202353 P794A-F872A 0.234708897353891 I940A-C976A 0.233953685338477 S830A-I966A 0.233466357384682 G344A-E820A 0.233015321946534 S871A-G1005A 0.232799968870405 G344A-F826A 0.232717797635972 T797A-T815A 0.232197597987294 I866A-V1010A 0.231869427017792 I793A-G867A 0.231835960057655 V149A-C154A 0.230613215222679 I935A-V943A 0.230075651280361 F332A-Y340A 0.229602286498285 R946A-Y1011A 0.229527923039157 F315A-Y340A 0.228982015518711 F311A-Y799A 0.228782999868101 D824A-A967A 0.228375583912157 Y787A-D824A 0.228057182561305 S52B-Q865A 0.227365706277743 K783A-D824A 0.227165916129084 L141A-P342A 0.227053761036877 I119A-M334A 0.225478551657186 V943A-V965A 0.224851023005444 Y787A-Q865A 0.224349316467935 C321A-F333A 0.223342743782686 P342A-K791A 0.221614265248256 C938A-L1006A 0.220872578525173 G312A-V341A 0.220724922307761 Q939A-G975A 0.220516436534417 I309A-Y340A 0.220025134531718 P798A-Q870A 0.219308779215599 V943A-D1012A 0.21926600717933 L57B-P1001A 0.218678218580039 D942A-I1008A 0.218648157060137 Q110A-G344A 0.218385685617818 I825A-V943A 0.217827034200495 T788A-Q870A 0.217498113013818 P794A-Y861A 0.217051152137882 L346A-T788A 0.216735529201659 Q110A-P342A 0.216661509240479 I866A-V943A 0.216616974232789 G867A-A941A 0.216049205640341 S784A-Q939A 0.215911150724853 F316A-Y799A 0.215649225535305 L109A-E343A 0.215509160426818 C111A-I119A 0.215429208914254 G812A-C822A 0.215374167943017 G812A-V930A 0.215341747015526 G312A-C321A 0.214796212569455 T823A-I974A 0.214040136633885 S52B-P1001A 0.213985131150763 C822A-I935A 0.213950553919851 A56B-F1004A 0.213384013464905 T797A-C813A 0.213077571937474 F931A-Q939A 0.21306861227812 I968A-C976A 0.212555575610311 G153A-T348A 0.211612796845742 R946A-R962A 0.210050073330663 E343A-L789A 0.210010220623218 F55B-A868A 0.209916718783319 D137A-V331A 0.209714281336807 N138A-G812A 0.209261392841783 L944A-V965A 0.208620025775245 A339A-G867A 0.208580707794617 V115A-L145A 0.208455495145656 D824A-G975A 0.208349740188384 T348A-V829A 0.208077044586169 L112A-V341A 0.207946831461268 C822A-I968A 0.207147392703196 G312A-I336A 0.206656162873669 F311A-A319A 0.205878342854757 C321A-I801A 0.20582988578961 I935A-P1001A 0.204956533492044 P794A-L817A 0.204335091590857 S52B-A873A 0.203809279476479 G312A-F333A 0.203097528435649 S934A-Q971A 0.203055846489729 A868A-G1005A 0.202616042900647 G344A-L821A 0.202602115286064 D137A-A144A 0.202116833655835 Y787A-F1009A 0.199806056506565 P342A-S828A 0.199636292139083 F55B-G874A 0.19929721670724 P342A-P827A 0.198576845659128 P794A-Q865A 0.198169726270413 K783A-I945A 0.197289430111797 T788A-P827A 0.196836801934137 G812A-I819A 0.196714522756289 S784A-A859A 0.196690286234862 E343A-L821A 0.196564950530236 I309A-T314A 0.196350940795157 M113A-V151A 0.196099081724878 F932A-V972A 0.195849972004744 D137A-T815A 0.194530271700314 Y44B-R1015A 0.194523485827459 P798A-C813A 0.193870692189869 C822A-I933A 0.193387647644975 A305A-E343A 0.192223346355151 Q865A-Q939A 0.191735113289307 A339A-S871A 0.191677245659681 F332A-A339A 0.191549238827043 A873A-G1005A 0.190210138296847 D942A-G1005A 0.190066656192169 L141A-C813A 0.189898560540609 C938A-Q971A 0.188790009846744 D942A-V965A 0.188484142392714 G874A-I935A 0.187996446715886 C938A-F1004A 0.187979472035568 L121A-N138A 0.18740579906633 I935A-G1005A 0.187129636552242 Y44B-Y861A 0.186911286450546 Y44B-Y1011A 0.186676280649529 T790A-T823A 0.186249570577012 T314A-T797A 0.18595473755216 N792A-F872A 0.185585131238192 N792A-F931A 0.185365600371374 L345A-K791A 0.184697778373327 F316A-M334A 0.184257105087977 G312A-A335A 0.18421572113826 C58B-L999A 0.183140049361807 Y787A-M937A 0.182891795485439 C813A-I933A 0.182876874477113 I336A-C813A 0.182012813884815 F315A-T797A 0.181928236621533 A308A-T797A 0.181461441589281 A116A-I309A 0.180358943141737 K783A-L964A 0.18026816798675 K791A-L821A 0.179543479155434 F311A-N792A 0.179359402388863 T790A-A873A 0.179289536142347 T790A-I825A 0.179206006470527 S828A-V965A 0.178622797069929 V301A-V341A 0.178495965691654 Q865A-F1004A 0.178337437178327 N792A-L800A 0.178157704492323 E343A-Y787A 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