[Wed Aug 24 19:16:35 2016] >Input file: TM3J9UATD.pdb >TM segments: a14-40_a51-75_a91-116_a126-151_S14-40_S51-75_S90-116_S126-151_R14-40_R51-75_R91-116_R127-151_U14-40_U50-75_U91-116_U126-150_T14-40_T50-75_T91-116_T126-151_W15-40_W50-75_W91-116_W126-151_V15-40_V50-73_V91-116_V125-150_Y15-40_Y50-75_Y91-116_Y126-151_X15-40_X50-73_X91-116_X126-150_Z15-40_Z51-75_Z90-116_Z127-152 MAIDEN score = -489.8085 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 ----------- ---------------- C17V-S71V 10 S35Y-D113Y 10 C17X-S71X 10 C17T-S71T 10 G16Z-L91Z 5.11908581229784 A20T-G98T 3.76082420172816 T24Y-L102Y 1.34479054646289 T32Z-V57Z 1.33726711612357 T24W-L102W 1.32224616423543 V37Y-A114X 1.32131583507532 I63W-E137W 1.313950437402 V97W-L144W 1.3058325285763 V97Z-L144Z 1.30158623995447 I108W-L133W 1.28066081375481 I22S-S100R 1.27151962310767 I15Y-L91Y 1.25545139630236 I22V-L99U 1.25533526055384 I63R-E137R 1.23749543742088 I22S-L99R 1.23363055190378 I21W-L68W 1.23197136427948 I108T-L133T 1.22669930425575 I22T-L99S 1.22568661140181 I22Y-L99X 1.22383300619834 I108U-L133U 1.22340711340746 I21Z-L68Z 1.22253752024466 I108Z-L133Z 1.22224782399359 I63S-E137S 1.22129547598434 I21R-L68R 1.22057797363758 T24Z-L102Z 1.21969588286708 I15a-L91a 1.21861710672076 I15W-L91W 1.21689729424324 I21V-L68V 1.21601493865156 K52a-F126a 1.21365013567141 I15R-L91R 1.20302479100573 I108a-L133a 1.20003598459782 C17Y-S71Y 1.19866491365717 I22R-L99a 1.19777564142897 L99T-I22U 1.18804629944524 I108V-L133V 1.18213748820253 I22W-L99V 1.17503957446731 I108Z-E137Z 1.16190447923234 I108X-L133X 1.15883243394361 K52T-F126T 1.15162647859891 I58X-F135W 1.14821878021347 G16W-L91W 1.12868492869973 G27S-L102S 1.1275998000474 L99Z-I22a 1.12584546283027 C17Z-V74Z 1.12571238125588 L99Y-I22Z 1.12564993098139 C17Z-S71Z 1.12535548889914 T24U-L102U 1.11882066297891 I108S-L133S 1.11848073135218 I21T-L68T 1.1136293292258 I15V-L91V 1.11349344684857 I21X-L68X 1.11298595189925 C17a-S71a 1.11233454227955 I22X-L99W 1.10970826037769 I108R-L133R 1.1018762590601 I108U-E137U 1.09810526574507 K52W-F126W 1.08752938183735 V97R-L144R 1.06311893708794 I15Z-L91Z 1.06269221013575 I108Y-L133Y 1.0470278856585 V97V-L144V 1.03883965222819 I54Y-I132X 1.03628269441792 T24X-L102X 1.03505809120478 C17R-S71R 1.02594562147534 C17U-S71U 1.02168223542679 V57Y-I132X 1.01868705727824 C17S-S71S 1.01642487068208 V37W-I110V 1.00491161700769 T24T-L102T 1.00258711073673 I39Z-I54Z 0.987806605097354 V37U-D113U 0.987689067928048 I15X-L91X 0.979954992396392 I39W-V116W 0.968902030595482 I15S-L91S 0.964881619392203 T32V-V57V 0.960288471430001 V37W-D113W 0.948930264224538 G16Y-L91Y 0.948358938974522 G92Z-C17a 0.944923738448104 I39T-V116T 0.943267996138301 G27X-L102X 0.9340947306849 G27V-L102V 0.93389983200227 C17X-G94X 0.933815036680817 G27W-L102W 0.932115219962381 G27Z-L102Z 0.928356802786979 G27a-L102a 0.928354507014686 G27R-L102R 0.928336752001418 G27Y-L102Y 0.928287981505677 G27T-L102T 0.928287383736487 I39a-I54a 0.913116098379826 I54X-I132W 0.911360234221789 Y142T-I65U 0.905538360110918 F23a-L102a 0.9008314148117 V57X-F135W 0.899296528196872 Y30Z-F106Z 0.884696941737115 F23R-L99R 0.880154524900176 F23a-L99a 0.877267932850378 V37T-D113T 0.874201331906843 V37Z-D113Z 0.870139450980981 F23S-L99S 0.869608573619651 I39Y-V116Y 0.867751587527222 F23W-L99W 0.867416966602208 L26R-L102R 0.866996867871354 F23U-L99U 0.866371435392638 F23X-L99X 0.861662217665195 F23S-L102S 0.860406913453982 I108a-E137a 0.856469402772245 I39X-V116X 0.855759917529085 T24V-L102V 0.855074087559135 I39R-V116R 0.848785622792967 T24S-L102S 0.846424041824807 F23V-L102V 0.842217234709213 L26Z-L102Z 0.841952958403801 L26T-L102T 0.84148345964596 I39U-V116U 0.841146861491058 G115Z-C40a 0.826857785204148 I15T-L91T 0.825597071846249 T32V-F135U 0.82168454150875 T32W-F135V 0.818725314486434 I39V-V116V 0.816245343314743 I39Z-V116Z 0.812133752032699 I15U-L91U 0.810985979257952 L26S-L102S 0.810869854710048 T32X-F135W 0.810682550179183 V37Y-D113Y 0.804957798771216 T24R-L102R 0.804329267002146 V111Y-V37Z 0.804137359970466 F135T-T32U 0.803831123817478 I39a-V116a 0.803809194574744 V37S-V111R 0.801725961383132 F23R-L102R 0.800851139427998 I39T-D113T 0.792100883300545 V72Y-V146X 0.78974397766234 V37Y-D113X 0.789309241633017 C75Y-L149X 0.78560364315161 I39U-D113U 0.783194204865826 C17Y-G92X 0.781262229923083 M59U-I108U 0.768422228670619 I39S-V116S 0.761430367168495 V97U-L144U 0.760941489798908 C17T-L91T 0.759682619231039 I108S-E137S 0.758775198666882 F23Z-L99Z 0.754852225884285 A60X-E137X 0.747819145301371 C17U-L91U 0.745997309133699 I108W-E137W 0.745578775501418 Y142T-I21U 0.745175031866835 I21R-Y142a 0.745068277440351 S25R-I63R 0.744882377342109 L26W-L102W 0.744151176050066 C17X-L68X 0.742857442073612 T32S-I132R 0.741740318697395 V111Z-L133Z 0.740187994331384 S35Z-I110Z 0.738635399219049 T24S-I63S 0.737787354272517 V111Y-L133Y 0.737400489927046 L26X-L102X 0.737087889458969 V70U-L148U 0.736941977557585 I132T-T32U 0.735094663030602 I21Y-S71Y 0.733955652009118 K34X-V111W 0.733241331221291 V146T-V72U 0.732466124731081 T32Z-I58Z 0.732150082885153 T32W-I132V 0.731161192629155 I110Y-K34Z 0.730715069376444 S25V-L139U 0.727900435869701 V111X-L133X 0.72750335885546 V111a-I132a 0.72698780927872 V37T-V111S 0.719299684093312 V70Z-N151Z 0.71879528183164 C17S-L91S 0.718000808351682 L26U-L102U 0.717377626659884 G36Y-I132X 0.715610969175848 C75R-L150a 0.714841304244701 C17W-S71W 0.714137356050513 F23T-L99T 0.713386659033858 N53X-V116X 0.712878349694637 I22W-G98W 0.712681143599048 T24V-V97V 0.711255802974796 V111T-K34U 0.711194643277265 T24W-V97W 0.710925597340733 I21T-Y142S 0.710823937651011 T32X-I132W 0.710069349177297 I39W-D113W 0.709366180714103 T24Z-V97Z 0.707900173363553 C17Y-C75Y 0.707801838250047 S100Y-I22Z 0.706839324069232 S25T-L139S 0.702222432356736 G36S-I132R 0.701471764144275 T24Y-V97Y 0.701031002782254 V74Y-N151Y 0.697514743773413 I39X-N53X 0.696672700556697 V111S-L133S 0.696552210373319 C17R-L91R 0.695319719098888 S25Z-I63Z 0.694607469535238 I110T-K34U 0.694466831247285 C17U-C75U 0.694443895589409 G36W-I132V 0.6932272799328 I21a-G98a 0.692227463927822 M59Y-I108Y 0.691835398927033 S100Z-I21a 0.691569952194016 D113T-V37U 0.689862914497981 C17V-L91V 0.68966678480777 F23V-L99V 0.688286551412954 V97S-L144S 0.688096490770176 F23R-G98R 0.687531925133103 L68V-V146U 0.686427678911027 I21R-S100a 0.685148061512955 I22V-G98V 0.684836360878354 V57W-G109W 0.684458723654072 C17S-C75S 0.683957692167933 I21S-S71S 0.683297950009408 A29R-F106a 0.683130016981173 L68X-Y142W 0.682437817873294 V138T-G61U 0.682214046528232 F106T-A29U 0.681483986074528 Y30V-F106V 0.681269042853172 I21V-Y142U 0.680855087339336 T24a-V97a 0.680815718818331 I65Y-Y142X 0.679638509025787 T24X-V97X 0.678592132685531 A28S-L102S 0.67836434517823 I21W-G143V 0.677243486222336 A28Y-L102Y 0.676826418728229 I63U-G140U 0.676680985071239 G16Z-V74Z 0.676340612131014 G16S-V74S 0.676217429521435 A29Y-F106X 0.676117245129937 V74T-G94T 0.676115621780238 L26V-L102V 0.67588015583274 I132Y-G36Z 0.67560989829209 I21Y-S96X 0.675537403649722 Y142Y-L68Z 0.67532442336715 V111V-L133V 0.675038396367168 F23T-G98T 0.674582638841003 V37W-G115V 0.67453126527826 I22R-G143a 0.674510071056373 V37T-D113S 0.673067738457807 I39a-D113a 0.673051143744482 V70Z-G94Z 0.671564378328644 V97X-L144X 0.671127502281561 I58R-F135a 0.670066589824769 G115T-V37U 0.669166153676894 I22V-G143U 0.668685045961374 L26a-L102a 0.668154060421402 L26Y-L102Y 0.668073803771255 A20T-L68T 0.666997575515441 G31R-V57R 0.666563991708754 K52U-F126U 0.666317890827948 Y66T-L144T 0.666267552832758 A93T-L148T 0.666206379368086 A107Z-Y30a 0.666127969330452 Y66W-L141W 0.666057681244518 F23U-G98U 0.665711424490928 T32U-I58U 0.665568000142803 A103S-L139S 0.664826837503957 I22T-G98T 0.664516697106185 V97a-L144a 0.663424454877124 S35X-I110X 0.661750031975697 K34Z-I110Z 0.661475810110307 Y66R-L144R 0.661419440001655 C75T-L150S 0.661004324556859 T24R-V97R 0.660569560850522 T24U-I63U 0.659276033887459 A18V-L95U 0.658178991921582 C75W-L150V 0.657958815352535 I63S-G140S 0.655565522899305 C17R-C75R 0.655416879224431 K34V-V111U 0.655163069146401 I65T-Y142S 0.654651930806593 A28U-F106U 0.654526535571102 A93Z-L148Z 0.654249822185777 A64V-L139U 0.654057435499301 S19U-G98U 0.65364345363552 C17T-L95T 0.653235944975854 V70R-A147R 0.651969022130536 V57R-G112R 0.650616391199202 Y142Z-L68a 0.649677319199925 G143Z-I21a 0.648898200435536 A103a-L139a 0.647215316514885 S71T-G94T 0.647085237608147 Y66a-L144a 0.646727663012474 K34T-I110S 0.645750715618026 T32a-I58a 0.645265442272859 G36T-V57T 0.644901870619101 A104U-V138U 0.644488525966738 A29T-F106S 0.644304383536568 G16T-V74T 0.644300808622133 I39Z-D113Z 0.643743673246327 M59W-L133W 0.642977303575128 L26R-A103a 0.642952657750447 K34R-I110a 0.64295155805232 T24Y-I63Y 0.642153964194756 S35R-I108R 0.640854249058643 S35S-I108S 0.63909502230278 V70W-L148W 0.638341123867376 V70U-A93U 0.637559742827906 A18T-V146S 0.635958208397027 A104W-V138W 0.635251568582824 V57Y-G112Y 0.634931818040271 Y66X-L144X 0.633382404929368 I22X-S96W 0.632770241046288 Y30V-A103U 0.632600455620941 I63Y-S100Y 0.632567398447214 Y30T-F106T 0.632182635068901 G31a-V57a 0.632089948553738 V111U-L133U 0.631468376729069 I21Z-G98Z 0.631308198912317 I21S-G98S 0.630518452055234 V70Y-G94Y 0.630148280435558 A33V-V57V 0.629793410776822 K34X-I110W 0.629721806543871 S71X-G94X 0.629693117758293 P56W-L133W 0.629623400515072 P56S-L133S 0.627698348394923 K34W-I110V 0.627319567120874 P56X-L133X 0.626128125981507 P56T-L133T 0.625730568406113 G61V-F135U 0.625135715034829 G115Y-V37Z 0.625037539929834 I21a-L68a 0.623552293063136 A104Z-V138Z 0.623396566713182 L139T-A64U 0.623272635267561 F23W-G101W 0.618602710596565 G61X-F135W 0.61847565866009 A28Z-L102Z 0.617549771395166 S96Y-I22Z 0.616446980292777 A104Y-V138Y 0.614819327537758 G115S-F126S 0.613649028787906 G61S-F135R 0.613363854986897 F23Z-L102Z 0.613298004239972 G61T-F135S 0.612324953949922 G31T-V57T 0.612294348001282 F135Y-G61Z 0.612281499125417 A20R-V70R 0.612140584275395 V74a-N151a 0.610954614571521 A20U-L99U 0.610776730358404 C40W-D113V 0.609986475288415 Q90Z-L150Z 0.608876929638019 I21Y-Y142X 0.607807886068819 A93U-L150U 0.607513442594258 Y66U-L144U 0.607276559156491 A33X-I108W 0.607264873588533 L68X-V146W 0.607220681348933 A33S-I108R 0.607110472421068 T32R-I132a 0.606358606826868 A28W-L102W 0.605159254558698 A33Y-F106X 0.603407299816476 G16S-L91S 0.603148304866695 I110Z-K34a 0.601530378594416 G92Y-I15Z 0.600966995022439 F23Z-G98Z 0.60094948012542 Y30S-F106S 0.60067153611129 F23S-G98S 0.59952512494929 G36R-V57R 0.598629887971629 A33S-F106R 0.597986193066306 S35a-I110a 0.597705595358933 K34Y-I110X 0.596785686918053 V37Y-G115X 0.596553212095235 C17a-V74a 0.595981534522018 K34S-I110R 0.59567130167422 V70S-G94S 0.595240964740047 F23a-G98a 0.595010294804352 I22T-G143S 0.594747709653197 A14S-V74S 0.594648748464022 V37T-G115S 0.594591402899487 I21S-L68S 0.593956385395634 Y142T-A64U 0.592420839197677 P56V-L133V 0.591475504941354 A28V-F106V 0.591404623372568 I110Y-V37Z 0.591323715635149 K34S-V111R 0.589169715587861 V111T-I132T 0.588866048114493 C40V-D113U 0.588124860402564 L139Y-S25Z 0.587800796971715 V37T-I110S 0.587716693112781 K34S-A107R 0.587522191312438 A60U-F106U 0.587096486318317 V70a-G94a 0.586736348729255 F135Y-I58Z 0.586230438943678 C40X-D113W 0.585809435279498 I65X-Y142W 0.585584813903874 L26Y-S100X 0.584839563119546 P56R-L133R 0.584098783162325 P56a-L133a 0.582042466812402 F23V-G98V 0.581132456179812 S35a-I108a 0.580716131362585 V70X-A93X 0.580289959578788 I21Y-G98Y 0.580236899598731 I22Z-G98Z 0.580075364946302 V57V-G109V 0.579760347612829 A93a-V146a 0.579157720603845 Y30V-G109V 0.578510050993038 I21R-G98R 0.577972117280385 L26T-S100S 0.577478071463403 L26R-S100a 0.577426691450842 V74W-N151W 0.576415938313548 I58V-F135U 0.57598843096377 Y30T-G105T 0.575953840208073 S96R-L144R 0.575700181611485 P56X-G112X 0.575620462716941 Y66V-L144V 0.574847872012904 V37X-I110W 0.574467110425647 V37X-D113X 0.574130972893304 V57W-I132V 0.574046074547843 K34V-I110U 0.573903190622391 S96Z-L144Z 0.573861899401365 Y30W-G105W 0.573135995305885 S96T-L144T 0.57235632059173 I58W-F135V 0.572321317200111 F23X-G98X 0.571313370375343 V111W-I132W 0.571204312280973 A33Z-V57Z 0.570747607179152 A28a-L102a 0.570425709925047 I108R-A136R 0.569899701752746 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