[Wed Aug 24 17:26:56 2016] >Input file: TM4B2QATD.pdb >TM segments: Q3-27_j3-34_s7-38_s41-72_q6-34_q43-74_S2-27_r7-38_r40-70_R3-30 MAIDEN score = -81.3507 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 ----------- ---------------- K8q-L72q 3.42205459255121 K8s-L72s 3.42187563850462 A31r-V29q 1.86666712579072 V29s-A31j 1.58296497500166 I17s-I17r 1.51124337446429 I17R-I17S 1.5110142632348 A31s-V29r 1.51024367307225 I17s-I17j 1.42373732673395 I17Q-I17R 1.40706098364311 I17r-I17q 1.4065193088819 I14R-I14S 1.30843878446441 I14s-I14r 1.30746372594977 I26s-E59s 1.27088239983846 I26q-E59q 1.27005834920624 I26r-E59r 1.26913595939974 I34r-L33q 1.23853976520639 I14r-I14q 1.23547783588709 I14Q-I14R 1.23541375842657 I34s-L33r 1.2301699425991 L33s-I34j 1.22366275205337 I14s-I14j 1.20575848467927 I10r-I10q 1.19219770014484 I10Q-I10R 1.19192541975644 I28s-I28r 1.1911176005891 I24r-I24q 1.14568004081773 I24Q-I24R 1.14554900168572 I10R-I10S 1.14431408007907 I28s-I28j 1.14346284826564 I10s-I10r 1.14275153697659 I10s-I10j 1.10362833551782 I24s-I24j 1.09246514214943 I24s-I24r 1.0685957304254 I24R-I24S 1.06841252199403 I34r-V47q 1.02549934994597 V47s-I34j 1.02021312930425 I28r-I28q 1.01411629348291 V29r-F55r 0.978995468298917 V29q-F55q 0.978846929879631 V29s-F55s 0.978813699086514 G25R-I24S 0.908079818477667 K8R-A6S 0.906700248102126 I24s-G25r 0.906470830188349 K8s-A6j 0.905711431147225 K8Q-A6R 0.898862885685933 I28s-V29r 0.878662280997707 L19s-C65s 0.856223849565477 L19r-C65r 0.856107825891485 L19q-C65q 0.855951600417886 L19s-T61r 0.850242440819839 T61s-L19j 0.837882455838027 I34s-V47r 0.810641097801804 A27s-V29r 0.801182059876105 V29R-A27S 0.798231550442839 V29s-F30j 0.792233694303358 S58s-I24j 0.751658312831848 F30s-V29r 0.747269125530621 I24r-S58q 0.746988645791505 L20R-L20S 0.734180604398541 L20s-L20r 0.734146937075994 V37s-I43s 0.733853315255377 F30r-V29q 0.732452995537545 K8Q-I10R 0.731814110697091 I10r-K8q 0.731709715719867 L19r-T61q 0.731047601351063 L20s-L20j 0.693274115097038 I10s-K8r 0.693141008104748 K8R-I10S 0.692034221649712 I24s-S58r 0.682595386833912 A12q-L73q 0.677400129937166 L20Q-L20R 0.675131979379089 L20r-L20q 0.674891307603895 L3Q-A6R 0.672936754301776 Y9r-L72q 0.672502037885679 V4R-L5S 0.672243310998477 V4R-L3S 0.670009496640494 V4Q-L3R 0.668513265240605 S15r-C65r 0.66492349200186 S15q-C65q 0.663350779033005 S15s-C65s 0.662917057665309 S38r-I43q 0.662061882490975 C65s-L19j 0.661878515861194 V29s-I28j 0.659268166145454 L72s-Y9j 0.656891872480764 F30r-A51r 0.650506390896478 F30s-A51s 0.650306994420423 F30q-A51q 0.650040812494955 Y9s-L72s 0.646897265549724 Y9q-L72q 0.646861594151751 Y9q-L73q 0.646232071007289 A12s-V68r 0.640496628441913 A12r-V68q 0.638795427374358 K8s-I10j 0.636240294583059 L33r-V47r 0.623054819619965 L33q-V47q 0.622287691816302 L33s-V47s 0.620713395921452 L19s-C65r 0.609188614272229 L3R-A6S 0.608761642688654 V68s-A12j 0.606250911023461 F30s-A31j 0.605572969320083 A31s-F30r 0.598109679764686 A12r-F70r 0.589870133922266 A12s-F70s 0.589554191172424 A12q-F70q 0.58888379163646 I28r-V29q 0.576292772172596 V37r-K44r 0.574413604762751 G25s-I24j 0.562363627979597 I17Q-T16R 0.562251232180561 T16r-I17q 0.562246163407107 G13r-V68q 0.551332604828216 I26r-F55r 0.546810837924143 L33q-A51q 0.546246752314438 L33r-A51r 0.544377937878723 L33s-A51s 0.544375480557845 I26q-F55q 0.544019786945638 I26s-F55s 0.543684473813936 L19r-C65q 0.542625982489243 S15q-L66q 0.54219135332338 S15r-L66r 0.541453113292422 S15s-L66s 0.541407613263239 A31r-F30q 0.52823546840912 N35s-L33r 0.527383047849943 G36s-I34j 0.523502195883964 V29q-A51q 0.520449766905941 V29r-A51r 0.520325441302009 V29s-A51s 0.519772940725231 V37r-I43r 0.517094758519221 G25r-S58r 0.516394630982999 G25q-S58q 0.51619798293242 G25s-S58s 0.516120610877048 L66s-F64r 0.514973138977123 L66r-F64q 0.512969063675064 G18R-I17S 0.506164126122556 I17s-G18r 0.505725206764582 A22R-I24S 0.495837902326217 I24s-A22r 0.495014666593484 V4Q-A7R 0.483757121015858 L57s-I26j 0.479228797611565 I26r-L57q 0.477607954127432 I26s-L57r 0.477148252083179 A12q-V68q 0.474092812736666 A12s-V68s 0.473246969149813 A12r-V68r 0.472238344007337 S15R-S15S 0.462520656915469 S15s-S15r 0.461643394669789 V4Q-L5R 0.461110961281926 L3Q-L3R 0.4537117150848 I24s-G23j 0.452864023905123 I24R-G23S 0.452747041093229 G23s-I24r 0.452726162492044 G25Q-I28R 0.451199747967092 I28r-G25q 0.451190597984476 T16s-I17r 0.449843694272633 S15s-S15j 0.449730427691485 I17R-T16S 0.44958438392208 A22s-I24j 0.4484314876518 S15Q-S15R 0.446297687861916 S15r-S15q 0.446294658991041 P41s-I43r 0.446077763430455 A22s-S58r 0.445248911924386 L19s-T61s 0.444242071551031 L19r-T61r 0.443869699461018 L19q-T61q 0.443204190396333 V37r-S42r 0.440333739475141 P41s-K44r 0.438581075871079 I34s-G36r 0.438204413516278 S38s-V47r 0.436082068083048 G21R-I26R 0.435832354540168 G21s-I26s 0.435767116719558 G21q-I26q 0.435118360821388 G21S-I26S 0.435090105088738 G21r-I26r 0.434999433693861 G21j-I26j 0.434336957399883 G21Q-I26Q 0.433954732209078 V37s-S42s 0.433750833573135 I24Q-G23R 0.431995647779345 G23r-I24q 0.431921399340314 T61s-L20j 0.428378744243839 L20s-T61r 0.427511149597641 V4R-A7S 0.426489482941182 L5Q-A6R 0.426415952345097 S58s-A22j 0.423600399129909 I28s-G25r 0.411680079950004 V37r-V47q 0.410831305556968 L19R-L20S 0.408430234109811 L20s-L19r 0.4082708812329 L19s-L66s 0.407757520812701 L19q-L66q 0.407630805831062 G25s-I28j 0.406990410600481 L19r-L66r 0.406984403360612 I17s-T16j 0.40570211529698 I14s-S15r 0.401910053651404 S15R-I14S 0.401909531005109 T16q-S69q 0.400156083604009 T16r-S69r 0.400148391148006 T16s-S69s 0.400140839604217 A22r-S58q 0.397411033047625 G25Q-I24R 0.397404079857878 I24r-G25q 0.397202616824406 L33s-F48s 0.396900537581514 L33r-F48r 0.396810937126464 L33q-F48q 0.396505518648661 I26r-G25q 0.396031810761156 A27s-I26r 0.395043779695222 I26R-A27S 0.394989633281032 G25Q-I26R 0.39495119584302 I26s-A27j 0.393754660521397 L19s-L20j 0.392889313076576 I24s-I26r 0.390626229635149 I26R-I24S 0.39048892128608 L3R-Q2S 0.389303093403095 A7s-I10j 0.386851399167135 G25R-I26S 0.386215374947858 I26s-G25r 0.385470991630499 A27s-I28r 0.381234743949908 I28s-A27j 0.381171007901767 I28R-A27S 0.381168702647639 G11s-I14j 0.380915050223407 I26Q-G23R 0.37987156513024 G23r-I26q 0.379619228300497 A27r-A60q 0.37922797671352 L5R-A6S 0.378224468796887 G18s-I17j 0.378001681874735 I10r-A7q 0.3776258779887 A7Q-I10R 0.377536488551785 A27r-I28q 0.377455996881585 A7R-I10S 0.376074027851513 I10s-A7r 0.375878160125628 A60s-A27j 0.375645673846575 L3R-L3S 0.375547700296023 I26r-G54r 0.375182143030111 I26q-G54q 0.374579596755753 I26s-G54s 0.374168559604868 A27s-A60r 0.371567186450771 I26s-G23j 0.371005568622516 A27q-A51q 0.371003532882332 A27s-A51s 0.370764133147654 A27r-A51r 0.370519114783822 C65s-G23j 0.369747646550929 G23s-C65r 0.367659919372559 I26s-I24j 0.366450815147378 G62s-T61r 0.366042244658645 N35r-L33q 0.365123736030005 S15s-I14j 0.36455234433946 T16r-L66r 0.364394176436242 K8s-C65s 0.363638925183823 K8q-C65q 0.363543705038367 K8r-C65r 0.363520236632038 T16s-L66s 0.362626940169847 G25s-I26j 0.362580762047228 T16q-L66q 0.361912729181902 L19s-G21r 0.361492714115897 G21R-L19S 0.361436240912019 G11r-Y9j 0.357997628858549 P41r-P49r 0.357895644234816 I34s-A51r 0.355545903922745 G23r-C65q 0.355427157149112 G21Q-L19R 0.35469646905562 G18s-T61s 0.354568074087827 G18q-T61q 0.354388934647289 L19r-G21q 0.354364909121092 I17r-G18q 0.354103900685331 G18Q-I17R 0.354079507087719 G18r-T61r 0.353643780970526 G11s-L72s 0.347437064442059 G11q-L72q 0.347343149781073 S15Q-A12R 0.345627968153768 A12r-S15q 0.345581018442582 G62r-T61q 0.340356388246926 G13s-V68r 0.335419730874211 G21s-L19j 0.33374334798982 Y9s-G11q 0.333373358108475 G11Q-Y9S 0.333303860653483 L20r-T61q 0.332082449880329 I24r-I26q 0.331583274831367 I26Q-I24R 0.331489992452548 A32r-A51q 0.328953120432841 K8r-S15q 0.328599299113538 S15Q-K8R 0.328540128266542 A12r-G11q 0.326633220648309 G11Q-A12R 0.326478271234335 G23s-A60s 0.325179279399741 G23r-A60r 0.325044370483915 G23q-A60q 0.32501589127032 G25r-A27j 0.325002761741819 L19Q-L20R 0.323099081919622 A6j-G13j 0.323034668463704 G23s-I26r 0.322985717848096 L20r-L19q 0.32280027172948 A6R-G13R 0.322769985863471 G11R-I14S 0.322759571528607 A6S-G13S 0.322698417402481 A6q-G13q 0.322691931177528 A6Q-G13Q 0.322590666679476 I26R-G23S 0.322579372414163 I14s-G11r 0.321378888796163 I34s-A32r 0.320948005625801 I24q-C65q 0.320760612076445 I24s-C65s 0.320705463247078 I24r-C65r 0.320691494547058 G54s-F30j 0.317940345646862 F30r-G54q 0.317855597242749 K8s-S15r 0.317406906067856 S15R-K8S 0.317355912619921 G21s-A60r 0.316983354972032 F30s-G54r 0.316685621589794 S69r-V68q 0.315704400113653 G18r-G62q 0.31508935181118 I28R-I24S 0.314831923588939 G11R-I10S 0.314810804981059 I24s-I28r 0.314727860503532 G21r-G23q 0.314053922581851 G23Q-G21R 0.314009481912492 I10s-G11r 0.313679214403198 I14s-I17j 0.31316819797169 G18s-A12j 0.313113614909479 A51s-A32j 0.312901576697676 A60s-G21j 0.312704597530743 I28s-A31j 0.312264529510223 E59r-C65q 0.311788969717319 G21s-A22j 0.311215515758089 G23s-G21j 0.310788065767676 L19q-E59q 0.310573267683928 L19s-E59s 0.310245372236563 L19r-E59r 0.310072281969628 G21Q-A22R 0.308899555753111 G62s-G18j 0.308731042682577 A22r-G21q 0.308624788740206 V68s-G13j 0.307670546131137 A22s-G21r 0.30662928422368 G13q-C65q 0.306529875780305 G21R-A22S 0.306483277774136 G13r-C65r 0.305957670077729 G13s-C65s 0.305895600983032 I24r-A22q 0.304635115919714 G18r-G13j 0.304308914374431 A22Q-I24R 0.303663917717781 G11Q-I14R 0.302503383389538 I14r-G11q 0.30247165103625 L20r-A22q 0.300417480747723 A22Q-L20R 0.300261632499301 G13s-G18q 0.300003843254668 G18Q-G13S 0.299990647671074 N35s-P41r 0.299612199487031 G62r-E59q 0.299470324221342 A27r-I26q 0.299404362447612 I26Q-A27R 0.29891828996904 A12s-S15r 0.298525952887949 S15R-A12S 0.298255795815892 G62q-S69q 0.297495860876087 G62r-S69r 0.297465431645363 G62s-S69s 0.297393373236484 L33s-A31j 0.296365312305567 P41s-P49s 0.29583731333042 G18s-G62r 0.294263972677896 S15s-K8j 0.293531432446935 A31r-L33q 0.293151311149576 I17s-I14r 0.292841385730821 I14R-I17S 0.292463688509176 A31q-G54q 0.290934789940096 V37s-V47r 0.29056834083134 A31s-G54s 0.290541513459694 S69s-G11r 0.290374553232767 G25s-L19j 0.290183766061249 I34r-A32q 0.290138405644008 A31r-G54r 0.290038440582127 G62s-E59r 0.289759195813276 F30r-F55r 0.288263914770253 F30q-F55q 0.288208139913666 F30s-F55s 0.2873262257675 K8R-Q2S 0.285086659632708 A12s-S15j 0.284248065669026 G54s-G54r 0.282575859910165 G25r-G23q 0.282356454131166 G21s-G23r 0.282199784926227 G23R-G21S 0.282164401635868 G23Q-G25R 0.281941689465809 A22R-L20S 0.28189047888021 A22s-L20j 0.281420302692019 L20s-A22r 0.281344067879834 E59s-C65r 0.280349687739887 A31s-L33r 0.279748928134858 L19r-G25q 0.279594049282842 G25Q-L19R 0.279478337878267 V29s-A27j 0.277163990609026 I10r-G11q 0.276841685224333 G11Q-I10R 0.275679341584832 G62r-L63q 0.274653991732573 G18R-A12S 0.2731223294538 G54r-G54q 0.273122113245399 A12s-G18r 0.272636773955678 A32s-A32j 0.272161268158187 G13s-L19r 0.271956829570297 L19R-G13S 0.271732665982502 S38s-V37r 0.271108497412214 A32r-G54q 0.270627248219756 I34s-M50r 0.270262126742356 I10Q-Y9R 0.269754973918822 S15Q-G13S 0.269024995037256 Y9r-I10q 0.269021233227419 G13s-S15q 0.268867866625681 A32s-A32r 0.267412278849073 L19s-G25r 0.267392727539431 G25R-L19S 0.267089104172493 S15r-G13j 0.266747617316518 I17r-I14q 0.266377818137736 I14Q-I17R 0.265699978057933 D45r-V47q 0.263080291344764 G11s-I10j 0.262917899494384 L19Q-G13R 0.262873314122719 G13r-L19q 0.262319931674473 P41r-K44q 0.260426590650073 G13s-A12j 0.259965343616097 G25s-A32s 0.259844281463023 G25q-A32q 0.259798362370291 G25r-A32r 0.259679028852487 A27s-G25q 0.259160928486263 G25j-A32j 0.259035704011468 G25Q-A27S 0.258728083633425 G54s-A32j 0.256644084323276 S15r-A12q 0.255269398425787 A12Q-S15R 0.254814734129317 A12R-S15S 0.251534623333011 G13r-F64q 0.250713149962235 S15s-A12r 0.25065224822719 G18Q-A12R 0.249097712403151 A12r-G18q 0.249048628452149 G11s-A12j 0.246207153371913 T16r-C65q 0.24492407169957 G21r-A60q 0.244685765771963 G11R-A12S 0.244685672355216 A12s-G11r 0.244064658870057 P41s-P49r 0.243495475138132 A12s-G13r 0.242253296390104 G13R-A12S 0.241720515765468 A22q-A60q 0.241647418131014 A22r-A60r 0.241065697438309 A22s-A60s 0.240722328747407 I24r-I28q 0.240366665357354 S15s-A12j 0.239338978136175 G62s-L63r 0.237238911319342 D45s-V47r 0.23452584947364 A32r-F30q 0.232570288198762 V29s-I34j 0.231522216307241 A22j-A27j 0.231087198793784 A22Q-A27Q 0.230885487024792 A22s-A27s 0.230813180277149 A22S-A27S 0.230744063448406 A22r-A27r 0.230618165102378 A22R-A27R 0.230543826352529 A22q-A27q 0.230439984589007 I28s-I24j 0.229703980883873 L33s-T46r 0.229626669398088 L20s-G23j 0.228909762172638 A12s-S69s 0.228691482255803 A12q-S69q 0.228199887811172 G23r-L20q 0.22818866482132 L20Q-G23R 0.227949326197606 G23s-G25j 0.227919815439734 A12r-S69r 0.227872381214906 G21s-I24j 0.227810840226455 P41s-N40r 0.2274929551752 A22s-G54r 0.227448824171811 S69r-G11q 0.227229549239464 A22R-F30R 0.225355478671499 A22j-F30j 0.225200436599762 A22r-F30r 0.225019559629169 A22q-F30q 0.224990699158065 A22s-F30s 0.224935493574356 N35s-S38r 0.224484119537343 I17r-V68q 0.224250932662028 G18R-I24R 0.219556535232742 G18r-I24r 0.21923326702153 G18S-I24S 0.219223417409229 G18j-I24j 0.219193073219561 G18s-I24s 0.218959776742131 I24r-G62q 0.218754532684043 G18q-I24q 0.218523318004844 G18Q-I24Q 0.218220223018112 L19s-G13j 0.217600966199331 G13r-F70q 0.217564677990238 G36s-V37r 0.216239846370845 A51s-I34j 0.216083093096483 A27s-F30j 0.215600510494174 S42s-P41r 0.215314749255339 S38r-A51q 0.215313885230115 A56s-S58r 0.215208341800152 G13r-S69r 0.214917616374243 T16s-C65r 0.214890205965607 A32s-G54r 0.214408927782709 G62s-I17j 0.214402454312417 V37s-K44s 0.214072066148149 G13s-S69s 0.213880797205555 G13q-S69q 0.213080669422619 M50s-V29j 0.213018423502722 C65s-T16j 0.212996482072332 G21R-I24S 0.212924853176994 V29r-M50q 0.212831592103619 A22r-F64q 0.212662761425245 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