[Mon Aug 29 17:46:20 2016] >Input file: TMA3QAI7M4G.pdb >TM segments: 30-57_ 64-144_ 179-200_ 241-270_ 419-431 MAIDEN score = -50.3953 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 ----------- ---------------- K139 -M144 1.29932182796477 A190 -V242 1.27998165375676 R95 -H134 1.15277415902042 M48 -I53 1.12366564471753 I125 -V130 0.955444167066215 F179 -V252 0.932147995082881 R99 -V130 0.883467946957327 L49 -I54 0.811159428996075 A123 -E128 0.764685777411396 I30 -L79 0.723805034757003 F179 -L253 0.694871187084551 N194 -V242 0.680183374378672 Q129 -F195 0.672947950269257 G120 -S199 0.625461285253613 R95 -L133 0.608805988133177 A187 -M245 0.598879230113021 F88 -A138 0.580416599121535 L44 -A68 0.555980867697659 I70 -L75 0.532071007590139 L52 -F66 0.522836950565903 V72 -A77 0.518194226653742 S124 -L198 0.494223013757788 A37 -R76 0.493568497126793 T47 -L52 0.460347766860675 L109 -I114 0.456406290051756 Q129 -K193 0.450247330609656 R99 -L127 0.435683958773844 F136 -L141 0.423774541443519 G120 -R200 0.419809794025082 R95 -V130 0.419575898499064 L103 -V126 0.412879045424773 Q129 -H134 0.400133038542809 H134 -K139 0.386193834511485 R419 -H424 0.385265961533737 A265 -F270 0.381430766395479 V112 -R117 0.381137428780943 A42 -A68 0.378673557338133 V126 -E131 0.37242580672008 K89 -Q97 0.365376869244504 I125 -S199 0.36196669980751 T34 -L79 0.359611077755259 M48 -F66 0.358538222203034 R95 -D135 0.352959447968921 Q97 -Y137 0.348903844459999 A90 -K139 0.348393584686576 A190 -A241 0.343783312037189 A37 -A77 0.342893731748194 F88 -E131 0.339312555885684 D104 -V126 0.331614582030673 R83 -K89 0.330523175717057 G120 -A197 0.329486896684438 Y43 -V72 0.32806818055754 S121 -K193 0.327004156886401 A123 -G196 0.32639048707783 G82 -A90 0.323884898673672 G35 -A80 0.322299771919001 K89 -R95 0.316784869190955 L49 -E55 0.308098150929397 Q97 -E131 0.306330329032439 W122 -S199 0.304157971494239 I98 -V130 0.298757334394604 S124 -K193 0.29159777900646 L94 -R99 0.286441167307227 M180 -L253 0.28507951872784 T34 -E84 0.283898400531482 L75 -G82 0.283224548511974 G35 -L79 0.280594191310215 D132 -R192 0.279709899082746 G184 -L253 0.278193131299325 A68 -I73 0.277965033027511 G116 -S121 0.275256617984887 E131 -N194 0.272779393535945 I30 -R83 0.269059368595563 L109 -G116 0.265844025704256 M180 -D189 0.265074320036806 D189 -G196 0.262798860326253 R99 -E131 0.262787385384314 R85 -A138 0.253680436427056 D132 -D189 0.251025415034273 T34 -P142 0.247213531169352 P118 -R200 0.246511174810612 A187 -A246 0.246455898313391 T34 -A80 0.246330925568527 Q100 -Q129 0.244588929255316 T34 -Q41 0.243296898840367 E254 -V259 0.241989328189383 K115 -S121 0.240860203562353 A46 -G51 0.239679194813631 L127 -H134 0.239383669121913 R83 -A138 0.238504078754388 L182 -S249 0.23813503303721 E55 -F66 0.236482215921469 M92 -Q100 0.235675765823206 T34 -L75 0.235184244463491 V263 -F268 0.234394413169555 E128 -L198 0.233865884357749 Q97 -K105 0.23366571862791 N191 -L243 0.233259229888039 G184 -S250 0.232299430827984 K193 -R200 0.232296343160189 A46 -F66 0.230552296956364 L109 -P118 0.230500236021197 Q97 -Q129 0.228664145003437 L33 -P142 0.227756646558018 K89 -D135 0.227429713436791 F88 -Q143 0.227301635379215 N194 -R244 0.226693158100615 G31 -Q143 0.224989877959736 E84 -Q143 0.224919617880661 K105 -W122 0.224811414959808 G120 -E128 0.224547345311327 F88 -Y140 0.222819876494035 L69 -V74 0.219098473553537 S87 -S96 0.218282363151551 A190 -S249 0.218020824767377 A40 -R76 0.217465432761914 L127 -D132 0.21291208512696 R192 -A241 0.212834570373691 V130 -F195 0.212209172537287 V183 -L253 0.211152668999301 F66 -V72 0.210265336734492 R99 -K105 0.210133296583209 G31 -R83 0.209302523951756 I114 -G120 0.209141882758678 G120 -Q129 0.209085566437428 S101 -V130 0.20814062034826 A187 -S250 0.207824849915221 L33 -G82 0.207755968082834 L52 -L57 0.207703847960341 V183 -L248 0.207427546998177 D132 -A138 0.205214452438736 K89 -L94 0.204217914522766 L106 -V126 0.200526506337 H134 -P142 0.200407667313035 S260 -Y267 0.199383622598357 V183 -F247 0.198511557913406 R192 -M245 0.197423485435003 E420 -A427 0.196693722467317 G186 -N194 0.194323828499947 R95 -Q100 0.191358171296494 S87 -P142 0.189482106689717 D135 -L141 0.189395984864138 T34 -A71 0.188043445590168 G116 -W122 0.187220157998809 N191 -S250 0.185314990782703 S64 -A71 0.183990883097533 E84 -Y137 0.182440899555463 V74 -L79 0.180672828615477 G31 -A37 0.179803576095161 L127 -G196 0.179584705711463 L106 -S124 0.179047174568576 G35 -Y43 0.17877340606189 R95 -D104 0.178512105213841 R85 -D135 0.178250810786106 A77 -R85 0.175785307885073 Q129 -Y137 0.175746150429452 K115 -W122 0.175263512602053 S101 -L109 0.175235592722292 V183 -S249 0.175061153485984 G91 -V130 0.174216336847437 P111 -R419 0.174193209413822 D104 -L109 0.173464523081391 H134 -F195 0.171461953430291 M185 -S250 0.170983513313473 P111 -G430 0.170911035685316 F179 -F247 0.16682600409389 N191 -F247 0.166200292747647 S96 -Y137 0.163817893168816 L52 -S64 0.163120786403439 G31 -Y140 0.162263207311341 G120 -G196 0.161834254410611 G35 -A78 0.160984587398531 R99 -S124 0.159407409755473 Q100 -E108 0.158588817033423 R117 -S124 0.156184248230809 A258 -V266 0.155827185022776 V126 -H134 0.152331189764196 R192 -R244 0.15085511054619 D189 -A241 0.150522536731064 G31 -L38 0.150095108562301 R95 -A138 0.150059485869829 A37 -I67 0.149881534742604 L93 -S101 0.147930404194798 M92 -S101 0.145734539814865 S421 -L426 0.145391200611238 L264 -G269 0.145368829849758 A40 -H50 0.145353141407928 V112 -A119 0.144903546267082 M180 -A257 0.144040704210277 S124 -N194 0.143750046441013 G31 -A138 0.143060627354268 L44 -I54 0.142790222935002 M180 -A251 0.14264518293059 N191 -R244 0.142275175889412 V39 -A71 0.141189859254264 S87 -Y137 0.140307469680131 G31 -L141 0.139915474414495 A78 -R83 0.139221072815878 I70 -R76 0.138770424239131 E131 -S199 0.136704988584021 Q129 -F136 0.136087141724009 L52 -E65 0.134517882576741 D132 -N191 0.134226336866829 L106 -P111 0.134129212319825 V183 -R244 0.133751698900905 G51 -S64 0.133558703182007 I73 -A80 0.133296006123881 R117 -G196 0.132684696896229 Y81 -I86 0.13208232914455 S87 -Y140 0.131932617723922 A187 -V242 0.131885437790555 D135 -Y140 0.130368626191059 R76 -Y81 0.129597699488038 G184 -V242 0.128594583187327 L45 -L69 0.126864732153428 E131 -N191 0.12663978077652 K193 -L198 0.125616052124773 L38 -L69 0.125586273653663 K193 -L243 0.124612392381132 R99 -W122 0.124490478720777 I70 -L79 0.124245208949627 S101 -Q129 0.123711609840686 G186 -R192 0.121754909288604 Y43 -L69 0.121744508503549 R83 -Q143 0.121493368661169 S124 -Q129 0.121258067222568 M180 -A246 0.120855521028202 R83 -G91 0.120652925127226 Y137 -P142 0.119536258451299 L182 -A188 0.118259921609433 K105 -F113 0.118017468918514 K105 -A123 0.117343691006971 L94 -A138 0.117303729303521 L103 -S124 0.116815317722923 W122 -L198 0.116490197941045 H134 -Q143 0.115916894405827 G31 -A77 0.115883082007656 M48 -E55 0.115690898974229 L38 -L75 0.114765517283537 D189 -F195 0.114677844986858 S121 -V126 0.114598381472507 G31 -A90 0.114491059994442 A37 -V74 0.113806498526528 A37 -A78 0.113709165736722 V107 -A123 0.113092623876523 Q41 -F66 0.112930471282654 M92 -V126 0.11271082836393 F179 -G186 0.112606033886812 L133 -L141 0.112281520431336 M92 -Y140 0.111837681369751 L253 -S260 0.111632527050505 Q41 -R76 0.111301210077754 V242 -S250 0.10926815196024 G35 -R83 0.108983273375074 S121 -V130 0.108667209361512 Q97 -L133 0.108129059427049 Y81 -P142 0.107573087889611 N191 -S199 0.106763331819494 G51 -A68 0.105198587954172 A68 -A77 0.105133359904599 E84 -P142 0.104370905795598 R76 -G82 0.104309603850434 V252 -S260 0.104207053624786 E128 -D135 0.104013085950192 V130 -G196 0.103827722230767 H50 -A68 0.103659980309337 L38 -L45 0.103516092717076 E128 -R200 0.103447128243306 G110 -A119 0.103366842472778 L198 -V242 0.103245747221813 T47 -S64 0.103126415600025 A46 -A68 0.102801984549301 F36 -Q41 0.102708844720036 T34 -V72 0.102611861907951 A42 -G51 0.102171103291977 L93 -Y137 0.102127696324975 L127 -L198 0.101488129513967 T34 -A78 0.10099433850355 G91 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0.0914878992690856 S87 -A138 0.091429786581406 G35 -V72 0.0907099737226542 V130 -L198 0.0906353622593858 D135 -N191 0.0900182937812621 V32 -A80 0.0899483378218606 G31 -K139 0.0898270027462301 T34 -G82 0.0896658981990309 F36 -L45 0.0894939237517138 D189 -A246 0.089475061564348 R85 -G91 0.0893940967690305 L106 -G120 0.0892232774633923 V107 -A119 0.088258142558725 I30 -L141 0.0881500232933421 L94 -L127 0.0877712625340565 L109 -I125 0.0877320085033366 A188 -S249 0.0874050294093056 S124 -L133 0.0872695982527212 L94 -V126 0.0871723340363841 Q100 -K105 0.0864387929849543 L38 -L79 0.0864249934453136 V74 -Y81 0.0863247431987088 A123 -S199 0.0860445362414186 Q129 -R200 0.085361474149324 R95 -Q129 0.0851688359659124 R99 -Q129 0.0846569231262806 G186 -L243 0.0836306291430553 L38 -A68 0.0835749711098157 L106 -S121 0.0834580828420375 R423 -G430 0.083280233898701 A187 -R192 0.0831707485910904 L44 -G51 0.0826354206370324 E84 -M144 0.0824585050748627 A90 -L141 0.0815945216135692 M92 -R99 0.0814333998084846 G35 -A42 0.0806222375693144 P118 -I125 0.0804471181070197 M92 -L127 0.0799871269657402 S260 -G269 0.0799188324519591 A68 -L79 0.0792366517889223 Y81 -K89 0.0790668995102779 I181 -L248 0.07902463135194 R83 -L141 0.0786026125250252 V102 -I125 0.0785872074891287 A258 -A265 0.0782214154588505 E128 -F195 0.0781349474801631 A119 -L198 0.0780825700512309 Q100 -I125 0.0778253501230708 V107 -R419 0.0768794591664739 F88 -H134 0.0763768703355749 I67 -A77 0.0763633581662868 L38 -I67 0.0761060096446586 V32 -L38 0.0754305360374152 R117 -S199 0.074833371113835 V102 -V126 0.0741414792838242 L182 -F256 0.0734511686776245 R85 -Q143 0.0733825117120415 P111 -R423 0.0731196377543655 L33 -L79 0.0729866810871691 L45 -G51 0.0728812767561253 F255 -L264 0.0728757230600019 K105 -I114 0.0728146778568024 G91 -P142 0.0724436409816027 P118 -S199 0.0722964885549224 G35 -A71 0.071774832152558 L33 -E84 0.0713213743112963 G82 -P142 0.0710803034633871 A119 -G196 0.0706045451302799 S249 -E254 0.0705328918195924 I181 -A188 0.0703435701543995 S250 -A258 0.0699134927285652 Q100 -E131 0.0697574598962922 I70 -A80 0.0694183658398977 L248 -E254 0.0692431014742996 V126 -L198 0.0691484702443388 I114 -V126 0.0685414408949288 V74 -G82 0.0683799805927681 I125 -A197 0.0678185665229774 F88 -D132 0.0671368641917416 A42 -F66 0.0665198302619414 L182 -A190 0.0664145499050527 L182 -A251 0.0662579105082521 L109 -A123 0.0661697809178858 A187 -L253 0.0661592541010795 I125 -N194 0.066094634635266 G110 -P118 0.0656984572864716 I181 -A190 0.0654334141281319 L94 -D132 0.0654079739523912 Q41 -L75 0.0653286263189887 E84 -H134 0.0653036266210711 M180 -S249 0.0643961191969105 A40 -L69 0.0643818866563142 G91 -K139 0.0643434957503632 K105 -I125 0.0641331067941349 Q97 -L127 0.0640638729710945 M180 -M245 0.0640237758175787 L45 -A71 0.0636256981737287 I114 -A119 0.0633657880360001 R99 -L133 0.0632513965885 L182 -F255 0.0629455098454592 V107 -I125 0.0628340362775717 E128 -R192 0.0626542649345785 E108 -R117 0.0624269725039426 A123 -A197 0.0623657038418681 S96 -L133 0.0616820745538651 F136 -A188 0.0614200928220736 R244 -S249 0.0610925386694285 V130 -Y137 0.0609695348942059 G186 -L248 0.0606211183889097 L93 -A138 0.06009574160925 A187 -F195 0.0600115486491317 A40 -V74 0.0592265563393788 G110 -R423 0.0591709914870324 L45 -E65 0.058748282253259 I261 -G269 0.0583996461725348 T34 -Q143 0.0580695514457323 L49 -I67 0.058053972745242 N191 -V242 0.0577747363388908 Q100 -V130 0.0577373926389131 G184 -L248 0.0576453953723626 N56 -S64 0.0575780527535889 G91 -Q100 0.0570358127561965 P118 -L198 0.0570012949451577 R117 -I125 0.0569785382970346 V130 -R192 0.0561147517408154 G184 -N191 0.0558037377442309 L103 -I114 0.0554865861702183 G116 -A123 0.0550970683749645 R99 -V107 0.0546727623420209 A37 -I70 0.054622814237522 L33 -Q143 0.0545631704264959 G186 -F247 0.0538506080249963 L94 -Q129 0.0537878127982374 M92 -H134 0.0534935100961536 D132 -S199 0.0528009713118562 R244 -V252 0.0527778904000887 T47 -I70 0.0526712449814251 G186 -V242 0.0526674446079074 R192 -S199 0.0526649827179997 T34 -I73 0.0526241013512054 V259 -G269 0.0522321880129211 Q129 -N194 0.051893117433941 A90 -L133 0.0515825144500726 L103 -Q129 0.0515467364999704 L45 -H50 0.0512176583348793 I98 -F136 0.0509889343559555 L69 -A77 0.050752662265261 R95 -A123 0.0507331113225593 K115 -G120 0.0504625424122538 V102 -G120 0.0503555370294786 I98 -Y137 0.0497790233464892 L198 -A241 0.048672314282368 A90 -Q97 0.0478919213985853 G31 -F88 0.0477664000112283 S96 -D132 0.0477027158304243 M180 -F247 0.0474295398830513 I30 -F88 0.0468745313569725 E128 -K193 0.0466682461295527 G184 -A241 0.046667811643438 A78 -I86 0.0465721000921193 A37 -A46 0.0461507716840717 I181 -A246 0.0448509185687298 M180 -A258 0.0448210659399642 E420 -W428 0.0447813088008891 L33 -A78 0.0447365637896111 V102 -Q129 0.0443018151153753 E108 -W122 0.0441383886889378 V72 -G82 0.0434412872771699 L198 -L243 0.0434189621984959 S96 -D104 0.0432397397833521 L106 -K115 0.0430797456205818 Y43 -I53 0.0429062910764184 I30 -A37 0.0427680879632177 I54 -F66 0.0425598135318879 G35 -L75 0.0425311087958451 K89 -E131 0.0424757794169504 R85 -P142 0.0417961306341395 T47 -A71 0.0417237760710416 A188 -R244 0.0413549755761409 G91 -A138 0.0406075752493527 A42 -V72 0.0404886956142398 P118 -V126 0.0403268108388435 M180 -E254 0.0401990731886543 E128 -A197 0.040077813302033 E131 -F195 0.0399914688785836 A40 -A77 0.0399016194384432 G91 -H134 0.0398285313477835 V183 -M245 0.0396604558143849 I125 -H134 0.0396483031325736 V183 -L243 0.0395264322929121 Q41 -I70 0.0392244547768881 F179 -A258 0.0388485380072039 F36 -A68 0.0387871706258482 H424 -G430 0.0383941777333519 S87 -H134 0.0381897137741705 Q100 -V107 0.0370864394993395 I181 -M245 0.0369087089326303 N194 -A246 0.0366920983153531 S101 -L127 0.0366121233109256 G91 -R99 0.0361230689954333 N194 -M245 0.0358347390931009 G186 -S250 0.0356412032110345 R117 -W122 0.0356149273791125 V39 -R76 0.0354260911355645 Y43 -A71 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