[Wed Aug 24 18:48:07 2016] >Input file: TM2WWBATD.pdb >TM segments: A39-52_A61-90_A122-137_A144-162_A179-195_A244-258_A290-309_A361-375_C76-91_B40-59 MAIDEN score = -26.9890 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 ----------- ---------------- E189A-G48B 10 C46A-L76A 2.4138526884164 Q47A-H58B 1.60227394166397 P49A-L76A 1.5050867005159 S71A-I81A 1.39542451608064 I125A-F156A 1.20416379380723 E189A-I50B 1.17757331736276 I81C-I48A 1.16942442662876 W193A-F52B 1.13471378590864 I84A-I179A 1.13116314238425 L79A-L155A 1.07029443255476 I68A-I183A 1.04337639345404 F85C-W90C 1.01869284820101 I81A-G159A 0.959382154757506 C46A-G51B 0.929326267714707 V84C-F51A 0.883916767749378 M65A-S299A 0.870349604006105 L89A-L293A 0.859055396537602 H88C-L50A 0.818667689784806 I48A-L76A 0.810870047602749 V67A-R73A 0.805862263165507 I291A-C372A 0.800583612596993 L50A-M77A 0.788346743456986 V85A-I179A 0.78666453150605 S71A-I183A 0.763610166277062 C46A-R73A 0.740811315176965 L69A-V85A 0.737013228330488 I84A-T124A 0.72879859360949 L69A-S82A 0.714686298857863 T134A-V303A 0.707435722918162 I129A-T152A 0.705954865821048 F42A-T185A 0.69319380016861 V67A-N186A 0.676394847896035 L87C-F51A 0.674507067181398 L50A-E78A 0.673898717521656 W90C-I59B 0.669446909163703 I48A-M77A 0.667187944843894 F42A-F182A 0.66426110470132 E189A-F49B 0.662651219299682 P290A-F375A 0.639681653384129 T134A-M307A 0.635953771982478 G80A-V157A 0.635263260570285 C45A-R73A 0.623241444601415 Q294A-M368A 0.611939366189407 C46A-K55B 0.604026990324716 I41A-V162A 0.595956121428911 V84C-L50A 0.583485481569964 I191A-N244A 0.580944822456582 R73A-N186A 0.580069676956235 P83A-G159A 0.565560128790454 V67A-I187A 0.553950788821101 L79A-F156A 0.552815931806952 V192A-F49B 0.550589324520978 I81A-V162A 0.550584645697866 L69A-S299A 0.544320354739083 A70A-F182A 0.534292487111403 Q294A-F375A 0.520507159718679 V85A-A296A 0.513811424169328 S71A-F182A 0.512348412784803 E78A-L155A 0.506014973618992 R73A-L79A 0.503779600792925 F51A-L150A 0.501439497000473 N72A-I81A 0.49851176170398 E189A-F52B 0.496445600075522 I125A-T152A 0.489423986017042 T124A-L160A 0.48684369324428 R73A-I187A 0.481389549105874 N72A-I187A 0.480571934172851 N72A-M77A 0.474057285870768 L43A-I50B 0.467536062635473 E78A-P83A 0.464412717050642 S82A-G159A 0.460932251941439 Q294A-C372A 0.460505385087318 L69A-I183A 0.45797793539919 I81A-L160A 0.457520722978934 I68A-S299A 0.456759875122797 Q127A-F156A 0.455602964990425 G91C-I59B 0.452604503025961 C45A-L76A 0.44824245651292 E189A-M47B 0.447325814001112 Y137A-Q154A 0.447245462136332 L69A-P83A 0.445516421325518 I81A-F156A 0.443772943010814 T134A-Q306A 0.441977549379097 F42A-I81A 0.43954875253808 M76C-I161A 0.437581162442704 I191A-L245A 0.433958831821953 L39A-F182A 0.427995753769078 P290A-A373A 0.424563673742887 R73A-I81A 0.419744630640057 M76C-I81C 0.418706416007984 L79A-S128A 0.41505987126475 L89A-A296A 0.414455125539516 S71A-M77A 0.413147797483116 Q294A-Y364A 0.410165641776281 L50A-L76A 0.404299930131369 E78A-C148A 0.396020339726448 N72A-I183A 0.392881465626337 F42A-S71A 0.389587266850259 T185A-G48B 0.385976773955533 I187A-G48B 0.385161903653588 A247A-A253A 0.377126170083732 I84A-I123A 0.370597027923981 S180A-P290A 0.365122437156517 L293A-F375A 0.364855953074425 Q47A-K55B 0.36312658613973 P290A-C372A 0.362610981268691 L69A-A296A 0.359969548024228 Y137A-Q306A 0.358928138213832 I81A-F182A 0.357809785094013 F51A-Q154A 0.357152982659874 I187A-M47B 0.357019480508234 W64A-V298A 0.353797843875077 T134A-C148A 0.351924197169904 V84C-W90C 0.35148043846476 T86A-L297A 0.351247046882341 T185A-T190A 0.351235346432516 S71A-L79A 0.348953609468153 I41A-I161A 0.347090043473605 I81A-A158A 0.346664606685927 P61A-S128A 0.346331063465471 M77A-L155A 0.345053013901026 C188A-F49B 0.344881848002528 S77C-A158A 0.344549513882961 A70A-I183A 0.341197828115352 S77C-V157A 0.337888682933947 E78A-Q127A 0.337034295743221 I84A-G159A 0.336669279845243 I291A-F375A 0.335351040200382 F80C-C46A 0.335205130394296 P83A-I123A 0.334870805932731 Q47A-L76A 0.334184670306836 M65A-V298A 0.333233581195061 S128A-L155A 0.332791159341843 F51A-I151A 0.33193423460956 C46A-F51A 0.326483853144754 V85A-L293A 0.325999287636024 V84C-P49A 0.323943763275219 Q47A-E78A 0.322843278195944 P49A-N72A 0.322106879562144 G135A-G144A 0.315022387657548 H88C-F51A 0.314013189995497 C45A-A158A 0.313964479461286 I191A-G48B 0.312292583721378 L39A-L181A 0.309995178683473 C188A-T40B 0.309687791418914 C45A-H58B 0.309489547322446 L43A-N72A 0.307947559098326 L89A-Q294A 0.306805779546272 R66A-S299A 0.306689828235314 T190A-G48B 0.30543550095123 A195A-L245A 0.301664437982234 S82A-G126A 0.30011506309042 R66A-Y131A 0.299436616763241 M136A-N300A 0.29768329426172 V132A-C148A 0.297281546052728 P83A-T152A 0.295563704284232 L89A-L297A 0.295411363399098 N72A-F182A 0.290843205859466 C188A-V251A 0.289219761807878 F85C-C45A 0.288415231640458 A70A-I187A 0.288286845080408 F42A-E78A 0.287856428168119 Q127A-Y137A 0.286567998038313 W64A-T190A 0.285098953089831 P61A-S71A 0.284987879278336 I291A-M368A 0.284227383471185 M65A-N72A 0.282715753988606 A70A-S295A 0.281416545274011 C188A-N244A 0.280610884400112 C188A-A45B 0.279029459566474 I89C-C46A 0.27815880448227 C45A-T185A 0.27800412646848 G135A-C148A 0.27703461903432 V84C-C46A 0.276798115978522 R66A-L79A 0.272824124252265 C188A-I246A 0.271890294108209 K194A-L245A 0.270546538727896 F80C-V157A 0.26938992004248 L69A-I81A 0.265471734011986 S128A-G159A 0.263138332830486 S128A-G135A 0.260292195003347 S82A-N300A 0.259785499969834 Y63A-V303A 0.258562902572733 E78A-G159A 0.258431131244464 G52A-I151A 0.25822905810757 E78A-T152A 0.257113727502766 W64A-S299A 0.256730920929401 C46A-T185A 0.254607983858448 S82A-L155A 0.254524281553855 S128A-F156A 0.254516661042566 Q47A-S71A 0.252090191741054 L43A-S71A 0.249827634388077 W90C-K55B 0.249794033455328 V157A-V162A 0.249603220382904 T86A-P290A 0.246086567479898 G91C-Q47A 0.244900117616497 F62A-G74A 0.244477306874307 M65A-R73A 0.242401144167045 A70A-L79A 0.24210009203348 T86A-L301A 0.241739590385788 L43A-G51B 0.24141568168629 C45A-S71A 0.241343068124947 I68A-A296A 0.240852161975472 P49A-L155A 0.237888175227715 C46A-T190A 0.237721031578757 F85C-Q154A 0.234603830896392 G135A-Y302A 0.232458495604666 H88C-P49A 0.231654961072387 R66A-M136A 0.230633164448508 G52A-L76A 0.228958508459336 N72A-L79A 0.228847279269055 G88A-N300A 0.228113734632022 M65A-N300A 0.227068461332086 T190A-L245A 0.22683660139819 R66A-M77A 0.226040939022473 Q294A-Y302A 0.22525447922559 Y131A-Q154A 0.225035733976001 I191A-T248A 0.223880096001431 L69A-G159A 0.223767457269509 P61A-L155A 0.223451819378408 M65A-V130A 0.221776037290299 T86A-A296A 0.221530021806945 C45A-I57B 0.221217700907083 C46A-V54B 0.220395690839043 P49A-T75A 0.219082730009673 T185A-T40B 0.217213687077523 G80A-N186A 0.216639960655588 V192A-F52B 0.214955567626545 M65A-N186A 0.214442441532421 V44A-M47B 0.214400060506795 M76C-V84C 0.214280065419717 T134A-T152A 0.213130990767901 F85C-P49A 0.211821543933 V67A-F182A 0.211464980101986 P290A-S299A 0.211416049127386 F252A-A41B 0.210878372285312 A296A-S371A 0.210638501142499 I68A-C188A 0.2091871548664 C45A-E78A 0.209075366085786 V162A-S180A 0.209042677027845 V298A-F367A 0.208459921913157 V44A-G159A 0.207635799083323 T75A-G80A 0.207622175612529 V44A-I81A 0.207307785457451 V251A-F258A 0.206978104739543 C45A-I151A 0.205590345547366 C46A-I161A 0.205590345547366 L43A-T75A 0.205475862238873 T86A-I291A 0.204159824115721 L50A-Q154A 0.202374865885781 G144A-T152A 0.202051589641673 V67A-I81A 0.201825501958969 M65A-Q294A 0.20154637207503 Q47A-Q154A 0.201481316139938 T75A-I191A 0.200258529690377 I81A-T152A 0.199947464552601 R73A-K194A 0.199669889243301 P49A-G51B 0.199566357204885 E189A-G51B 0.197829310668392 G91C-C46A 0.197788347430652 I50B-K55B 0.197774889492402 N300A-L308A 0.195828451672897 T124A-I151A 0.194741218454165 G146A-I151A 0.193520446656671 W90C-C45A 0.19325768111497 F80C-V44A 0.193025546891342 F85C-C46A 0.192984024045592 L39A-C45A 0.192828728110931 T124A-G159A 0.192787989734097 G88A-L293A 0.192768717247368 L43A-G80A 0.192641689292461 W90C-H58B 0.191554605014237 C45A-Q154A 0.191349976804934 Q47A-N72A 0.190366922714947 V44A-I161A 0.188228699810578 F51A-M77A 0.188083231928264 I41A-A158A 0.186915524128876 V67A-N72A 0.186325425180597 M136A-L155A 0.185482253106619 S71A-N300A 0.185314990782703 Y137A-M307A 0.185274148759542 Y63A-M136A 0.1843900663305 S295A-A373A 0.184281186434106 N186A-S295A 0.184018374905764 M65A-Y131A 0.183270986014618 L181A-C188A 0.183222636234774 Y63A-E78A 0.183011654864448 N244A-F252A 0.182588381130838 I81C-H88C 0.182581289777378 R73A-W193A 0.182516039343031 F80C-F85C 0.180332628581436 S295A-Y364A 0.180162400430664 M76C-L155A 0.179878955127921 G80A-F156A 0.17928558729668 L50A-G74A 0.177882344000549 S128A-M307A 0.17755263226313 W90C-I57B 0.17711421746342 F80C-Q47A 0.177073991552716 G80A-Q154A 0.176848613273859 G52A-M136A 0.176841606743187 C46A-L56B 0.176836359609626 L79A-N186A 0.176520614914237 C46A-L79A 0.175607614867451 G51B-I57B 0.17527332369659 S82A-V157A 0.174841225227455 C45A-I50B 0.173874204539028 F42A-N186A 0.173394535319344 C148A-Q154A 0.172915452795379 L39A-V44A 0.172853059664252 G52A-Y131A 0.172284779750241 P83A-Q154A 0.17131633935858 L79A-S299A 0.17131598691596 G74A-G48B 0.170936273578091 R73A-E189A 0.170902270886791 S87A-I123A 0.16929780168998 Y131A-S305A 0.16926530741278 L50A-S71A 0.16917102573005 W64A-K194A 0.167784025822788 Y131A-S299A 0.166701500577132 L181A-N186A 0.165896526963132 H88C-L150A 0.165765015082075 I123A-I153A 0.165299639110339 V84C-V44A 0.16520877085691 G51B-H58B 0.16514815936298 G74A-A184A 0.165026701813716 G126A-L160A 0.164399718830948 I125A-I153A 0.163504504072275 G80A-G126A 0.162882395241689 L39A-C188A 0.162881637169223 S299A-S371A 0.162701183241118 L43A-C188A 0.162615268202964 G80A-A184A 0.162528110212862 T134A-I304A 0.162241865869607 P49A-L79A 0.162161115377511 G80A-A296A 0.161767348268866 I48A-N72A 0.161636972671863 A361A-G370A 0.161636831452177 E189A-V54B 0.160987038499761 C46A-I59B 0.160822549449223 L89A-S371A 0.160439522364614 I187A-I292A 0.159513258486877 T248A-A41B 0.159143245447042 P83A-L293A 0.158463214918189 L69A-N300A 0.158256874054925 W90C-L50A 0.157985235198652 G52A-L150A 0.157880636370226 S82A-G88A 0.157467452312952 T134A-L308A 0.156889415516684 V67A-E78A 0.156625211442771 R66A-Q294A 0.156234261844864 L69A-G88A 0.15618268993787 G159A-L181A 0.15567227048994 G146A-I153A 0.154963048899145 P290A-L297A 0.154924947722831 L301A-Q306A 0.154116455297488 M86C-L150A 0.152554377629156 F40A-A158A 0.152522479701669 I90A-I122A 0.151724370461309 V67A-M77A 0.151570265173812 G80A-T86A 0.151406469575435 I187A-V192A 0.151208028032374 M65A-I81A 0.150961687494955 A82C-V44A 0.150550132487997 L301A-M368A 0.150219568848335 A296A-I304A 0.150130343778425 G80A-V85A 0.149931338973346 G126A-Q154A 0.149888096787875 A70A-I81A 0.14969034135722 Q294A-N300A 0.149408245184655 W90C-T75A 0.149041326861319 L50A-I151A 0.14865216721022 T190A-K55B 0.148641915620468 S82A-L293A 0.147952452396005 W90C-M77A 0.147510229159771 R73A-A158A 0.147502711995732 T124A-F156A 0.147395783098065 V44A-H58B 0.146985547700964 A361A-M368A 0.146304772024766 I122A-I153A 0.146192705731705 P61A-L76A 0.146084796921144 I81C-C46A 0.145540631890938 S299A-M307A 0.144778200687529 S83C-M77A 0.144674955428782 M77A-V54B 0.144445603156218 I81A-I153A 0.144394624126619 F49B-H58B 0.144237847133861 V54B-I59B 0.143366918175617 P290A-L369A 0.14314309621681 I81A-I123A 0.142637486446696 M65A-V85A 0.141997242245221 A184A-I291A 0.141762580707316 H88C-E78A 0.141754263195807 I90A-I123A 0.141532761819081 I68A-E189A 0.14133676579198 S77C-V84C 0.140967349102896 S71A-G51B 0.140561948577608 S128A-A158A 0.140560124365191 S77C-M77A 0.140454743959141 T75A-I187A 0.139703196717183 T40B-G48B 0.139666511038084 Y131A-I147A 0.139653221666464 S77C-L43A 0.139565431154939 G80A-L155A 0.139523216955871 I122A-I129A 0.139396277043103 L89A-I183A 0.139350800205036 T248A-A45B 0.13931849174044 L43A-I57B 0.138847722789958 I123A-A158A 0.138593672653045 P49A-H58B 0.138415472872466 M133A-A145A 0.1381696966019 L50A-I81A 0.13808024723214 C188A-I42B 0.138036587698663 C46A-I81A 0.137862976387949 N72A-L155A 0.137708339883599 Q294A-S371A 0.13708986445796 I81C-V44A 0.137063684337567 Y131A-L301A 0.13582471059395 S77C-L155A 0.13556924073604 Y131A-N300A 0.135306104472921 G144A-I151A 0.134076780303376 C148A-L155A 0.133916964517648 N244A-I249A 0.133506449701626 A82C-A158A 0.132630638558536 G88A-P290A 0.132486179368247 I41A-L155A 0.132176877613274 L87C-L149A 0.132139239623908 T124A-V157A 0.131588122147424 S295A-F374A 0.131404776192214 V67A-Y302A 0.131217022655056 N72A-F53B 0.130449716588726 T86A-I304A 0.130004596106037 L78C-V157A 0.129778118905302 V132A-L155A 0.129675138640621 I68A-E78A 0.129198999130219 Y131A-L150A 0.129092434642138 G74A-T190A 0.128816145141652 Q127A-A158A 0.128622743897068 E189A-A45B 0.128583688846756 T75A-T185A 0.128476116152239 L79C-L160A 0.12787690164897 F40A-G51B 0.12786504833076 L89A-V298A 0.127689597659496 H88C-I151A 0.127467635448635 I122A-T152A 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