[Mon Aug 29 17:58:40 2016] >Input file: TMQ75HT8M3G.pdb >TM segments: 81-111_ 164-174_ 177-198_ 200-210_ 212-228_ 234-257 MAIDEN score = -2.4321 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 ----------- ---------------- L203 -I235 1.78205833965161 I174 -I182 1.68909468074601 I221 -E245 1.23939967277644 L202 -I235 1.20735229534805 F204 -V236 1.04654918079381 D171 -H178 1.02141594834716 W177 -I182 0.972126884263942 L166 -E186 0.964020708265972 C169 -G181 0.936853086320673 C169 -E186 0.929770310798153 L89 -K108 0.907381620115412 N173 -H178 0.896069413988098 F204 -I235 0.895344873714482 L86 -D206 0.894802426989355 K82 -L256 0.813641158636917 E168 -L179 0.784733779643686 L205 -S237 0.778872492638915 I221 -L249 0.771301587500586 L203 -V236 0.724936175363216 V246 -L253 0.721365210144268 V239 -E245 0.713053871753241 E195 -L203 0.700738842727217 E207 -V239 0.654389404807551 C169 -R180 0.6513312240387 N173 -I182 0.649399067748091 L202 -T234 0.646748982561345 A88 -L93 0.593639600324517 L205 -V236 0.56825389340842 R225 -I235 0.56695316120452 F204 -S237 0.551566067590465 I182 -R189 0.537202131380518 I196 -R201 0.535735153821207 R111 -P200 0.529498750871999 L166 -L190 0.524074714295378 D87 -F204 0.519466733901777 E245 -F250 0.516827270784382 A88 -V103 0.516390428280149 C169 -H178 0.508961721017396 R172 -L179 0.506446369163946 D213 -F218 0.49113851445775 S83 -S238 0.479700205584607 L205 -I235 0.47742466542746 G91 -K109 0.474297912936056 M164 -A193 0.473115667710931 L89 -V103 0.457145492008943 F247 -D252 0.454843505581078 D206 -V236 0.448731459919152 E207 -P242 0.446427546184583 C169 -L179 0.443717183985585 R201 -I235 0.43934705684541 I221 -A248 0.439077184289092 L105 -R201 0.432370614448285 L86 -F204 0.423179304593834 K187 -P208 0.422648280480765 L166 -R180 0.41606723725879 L205 -S238 0.400945158128521 R189 -L194 0.399610472630032 R111 -L202 0.388257758409106 K82 -E207 0.37625434039317 L203 -T234 0.372282575849866 K187 -I192 0.367901816105642 A228 -I235 0.365798847118167 K188 -P208 0.364506927436505 P208 -P242 0.358320039158763 T84 -L93 0.35454067057883 M164 -L190 0.344007487859302 Q241 -V246 0.343424613776905 R167 -N173 0.34237141203545 R172 -I182 0.340924838644426 L86 -R92 0.339329184389984 A170 -A193 0.335845878799925 G185 -A193 0.328922439155106 R201 -T234 0.328810793930303 T209 -E222 0.317739122801751 N96 -K102 0.315812393920663 G165 -G181 0.311390878954023 L105 -R110 0.308184265405674 A94 -G101 0.306977795825708 V239 -V246 0.306825868724002 L202 -V236 0.29884635489498 K82 -Q241 0.296727101225438 G107 -L202 0.289031469180644 E186 -P208 0.287197351007794 T209 -P242 0.28646153079054 G165 -R189 0.286172379484062 K82 -V239 0.28597761241676 S83 -H240 0.284345228925766 K108 -R201 0.281366792449031 H178 -K187 0.279111640851612 D87 -V103 0.276753367996946 L166 -R189 0.276645595005638 A94 -G107 0.276075689911244 R189 -E195 0.275506087257788 E195 -P208 0.274151817159064 N173 -R189 0.273463411160982 G181 -L190 0.272963231009714 I174 -G181 0.269708620645154 F204 -C254 0.26720660703764 R95 -T100 0.261714456051923 E222 -F247 0.25826265226199 L86 -S237 0.256791507856304 P208 -S216 0.256728532725872 G184 -D213 0.256491309596154 E207 -C254 0.256333101208694 R172 -G181 0.254495512028778 W177 -G184 0.251387866335057 V220 -R225 0.251386765637836 P208 -H240 0.249729746007024 M164 -Q226 0.245920836032195 S90 -F204 0.242382279070783 S210 -P242 0.241810064690713 G91 -N96 0.241780879059155 L224 -L249 0.23924271336922 A88 -G101 0.239124220154396 A228 -S237 0.238581376089975 F218 -Q226 0.2366036291532 G185 -S219 0.233804003076736 K187 -S210 0.229411032764072 R225 -D251 0.228134056710484 G81 -L256 0.228022163833165 G91 -L104 0.227170104318596 K188 -S219 0.226713982528952 L203 -S237 0.225176481814204 R167 -K187 0.225103868220898 S191 -S237 0.224170534414112 T198 -T234 0.223415405840578 T84 -T100 0.223187782868238 T223 -E245 0.222414393783172 P242 -S257 0.222113981477827 V239 -D252 0.221344668640138 D87 -K109 0.220597796985317 G184 -A217 0.218603348224875 D87 -K102 0.218210135164169 T209 -L249 0.217160914716396 S210 -A215 0.215870102982723 L86 -P208 0.215684746973614 P208 -Q241 0.214982321674653 S90 -L202 0.214974745130091 K82 -H240 0.214510061398585 A228 -T234 0.214490615306796 A170 -S191 0.213841842906361 S214 -P242 0.212566272478543 P208 -S243 0.212382529533378 G185 -S210 0.20969853744504 A170 -R189 0.202947149617333 L166 -H178 0.202491315199071 S83 -V236 0.200820042536157 P200 -L205 0.20078509431443 V239 -F250 0.19761930644412 A88 -G107 0.195534108556993 S210 -V239 0.192362664178844 P200 -L227 0.191248217340214 G81 -D87 0.1907708380817 T234 -D252 0.18909432661758 G184 -S210 0.188275036748102 M164 -S219 0.188268958568061 S191 -S210 0.183772367544869 S210 -V220 0.180853182324748 K188 -L227 0.179681460525782 A215 -E245 0.179642254497002 G91 -K108 0.179499858520567 D171 -R189 0.179106206454613 R92 -D206 0.178288656512903 D87 -R201 0.177949411178371 P242 -D252 0.177874931851606 P208 -D213 0.177341586801268 R189 -D206 0.17641431293563 S83 -L205 0.175952831609987 S237 -A248 0.175833914205144 S191 -L227 0.175232013947307 I192 -T234 0.175067679450043 E222 -L249 0.173197619502822 D171 -R180 0.171305866574275 E207 -V246 0.170530532975165 M164 -I192 0.16989777704439 S243 -A248 0.16911204640515 K187 -L212 0.168218028535198 I192 -A228 0.16753190918697 Q241 -F250 0.167043822806868 I182 -K188 0.165819798993307 G81 -H240 0.165131268978622 V239 -F247 0.164960841519564 E195 -T234 0.164114966428662 S214 -A248 0.162151335869225 A217 -V239 0.161783287488321 N173 -G184 0.161363832589307 D171 -K187 0.160811923718458 I192 -I221 0.159710888110077 G165 -G185 0.157176251532532 Q241 -C254 0.156453379877805 K187 -D206 0.155764391499962 G165 -K188 0.154722009382217 D87 -A94 0.15460675662036 E186 -V220 0.15441420837587 A217 -S243 0.153686404581471 W177 -K187 0.153442118783749 L205 -T234 0.153283518051552 D171 -G181 0.153005182060677 G81 -L93 0.151157703475945 E195 -A228 0.15115765879414 R92 -K109 0.150416406244472 P208 -T223 0.149593579426286 G165 -K187 0.149429545154749 E207 -I235 0.147172334354743 G91 -L203 0.145918375137356 G91 -P200 0.145329593102726 M164 -D171 0.145265366036621 L224 -T234 0.144571002317461 S183 -S210 0.144486352296487 I235 -E245 0.144188149304362 M164 -A170 0.14398423706566 S90 -P200 0.143934487289801 G91 -F204 0.143357897204221 E186 -S219 0.142822493820583 E207 -S214 0.141816640564529 E168 -K187 0.141484770876284 L166 -G184 0.141447211701569 L203 -P208 0.139726250241209 A88 -R95 0.139245196076862 G81 -A94 0.138742693921179 A228 -D251 0.138014236644765 L166 -W177 0.137747413309173 E207 -S237 0.136804676020281 S210 -V246 0.135432227852558 A88 -R111 0.13309358889897 L85 -L104 0.132419055800089 K188 -I196 0.131782036992233 R225 -V246 0.131717117016238 E207 -S238 0.131383719584319 L105 -I235 0.131290794719994 P242 -L249 0.13070030174552 E195 -P200 0.128682291334585 T223 -T234 0.128476821593662 H240 -S257 0.127968340392068 T223 -I235 0.127730355923565 G91 -R201 0.125985996274492 S90 -N96 0.125791392715308 D87 -S238 0.125495835633652 A217 -R225 0.124468659902446 L85 -N96 0.1242976216483 N173 -S183 0.124259754227784 V97 -V103 0.123427115439665 L86 -L255 0.123381079408466 P208 -R225 0.123205206041141 G91 -R110 0.122921342077263 K109 -L202 0.122804277905247 L203 -L249 0.122228670995924 V220 -V246 0.121648240708443 E195 -F204 0.120853311447403 L86 -L105 0.120530848986625 G81 -E207 0.119968713942034 F204 -V239 0.11993950151246 V103 -K109 0.118797948023095 S183 -A193 0.118312933209524 T84 -S257 0.117961650962807 S183 -S219 0.117696889475045 S90 -K102 0.117427543967102 C169 -G184 0.117400456866717 A88 -L104 0.116711368097491 Q241 -F247 0.116202063800482 F218 -F250 0.115943602123087 L85 -S237 0.115529585337449 L166 -S183 0.115320872199608 K188 -S216 0.115315702520753 S238 -D252 0.115027978980363 L212 -A217 0.114545436024966 L197 -L203 0.114161767655711 R111 -F204 0.114150917857582 L93 -L99 0.113850923238342 L202 -L227 0.11342209773963 S219 -A228 0.113334616946944 A170 -W177 0.113308285083004 T84 -L256 0.11322443964821 P208 -E245 0.113185587675201 A88 -V236 0.113166364771397 S90 -L104 0.113127116651699 R201 -V236 0.112561125710494 M164 -S183 0.112124802823736 L86 -A94 0.111711113742503 A88 -V97 0.111287977505631 L89 -G101 0.111265047667813 L190 -L224 0.111142887336095 A215 -S244 0.11111366919055 A215 -A248 0.111075046037189 S243 -C254 0.110806750125587 K82 -L93 0.110318428888389 R167 -R172 0.109919096813697 T209 -I221 0.109850377015823 E195 -S237 0.109714395286839 R225 -S237 0.109396580803488 G185 -L190 0.108996052754434 S243 -L255 0.107457655436113 L205 -A217 0.107224228813056 L194 -L205 0.107193947057477 L86 -L205 0.107106753890543 A217 -L227 0.107084829747645 R172 -S183 0.10673723057327 L205 -L227 0.106377003965799 S237 -P242 0.105511449530688 L212 -V220 0.105440283089314 I196 -I235 0.105313215063953 G184 -P208 0.105245663068714 R201 -A228 0.105153459693293 S219 -A248 0.104637429624757 R189 -E207 0.10396086959347 P242 -F247 0.103847589269201 I174 -A193 0.103289626521196 L194 -L203 0.103007654883719 A88 -K109 0.102567910144844 S216 -L224 0.10181268263831 A88 -A94 0.101423785015838 S90 -N106 0.101022311825517 A88 -T100 0.100840232590331 K82 -S90 0.100824948941973 S83 -C254 0.100515739198773 L93 -L104 0.0997093026429892 L205 -V246 0.0992980085724477 L249 -L255 0.0991771885561787 S238 -A248 0.0987290634929856 P208 -A228 0.0986935027420692 S210 -A248 0.0985279559307388 I174 -I192 0.0984456458656418 V239 -L249 0.098280500179051 A193 -V220 0.0982437181355231 S210 -S219 0.098174844422549 L89 -L256 0.0980128390918615 G185 -T223 0.097827002138038 E207 -V236 0.0974203364687281 L190 -L203 0.097367063126943 V246 -L256 0.0971720714214084 A217 -S238 0.0964815030689563 K188 -D213 0.0963925101651333 S191 -A228 0.0959665261442133 E195 -T223 0.095824990760911 G165 -T223 0.0956471943271464 A88 -S238 0.095544652676598 F218 -F247 0.0953550363409748 S244 -C254 0.0946913520290885 L105 -V236 0.0945461366731972 L205 -S210 0.0943748713427 L190 -L227 0.094023483614637 V220 -V239 0.0939351836683846 L85 -S257 0.093607486661814 G185 -E207 0.0935991081704062 L194 -L224 0.0933842843751904 A215 -T223 0.0933214375963822 S83 -Q241 0.0931828051868475 L203 -Q226 0.0930018213529786 R167 -R189 0.0929885659595118 L85 -L99 0.0929102486558024 S191 -T209 0.0923360119578169 A88 -L202 0.0921455758567227 I182 -L212 0.0917506573387285 L197 -I235 0.0917097631173039 A217 -P242 0.0914633025303959 L85 -L203 0.0914130263141355 S90 -D206 0.0913278269077105 A88 -L105 0.091268717515534 T198 -F204 0.0910503617255228 T234 -V246 0.0908531544792335 S237 -L255 0.0904520758816134 I221 -V239 0.0899490345691274 E168 -R189 0.0899404659782645 A88 -L205 0.0897543070328568 T84 -S237 0.0895711877553254 A193 -P200 0.0895384809753521 K187 -T223 0.0892769769702935 L166 -L197 0.0891999494363109 P208 -V239 0.0886932514029226 L205 -V220 0.0885408498262792 K108 -L203 0.0884348423933492 L194 -L227 0.0883610723812029 K188 -E222 0.0881873455971673 L86 -L104 0.0875370027218518 I221 -Q241 0.0871490511598236 G81 -V239 0.0871223204566665 R189 -Q226 0.0871206020805726 G107 -R201 0.0869487497666226 L104 -F204 0.0863627018046049 L224 -V236 0.0862180761177296 E186 -S191 0.0861565523129819 A193 -A228 0.0861526160486688 E207 -L212 0.0857629739801601 G81 -R95 0.0855313134909371 D87 -L203 0.0854906224968999 E186 -E195 0.0849805692494711 Q226 -F250 0.084899917908138 S83 -P208 0.0846453360705155 T223 -S237 0.0845380964139019 R95 -L104 0.0845178118662174 R180 -K187 0.0842621779609987 T223 -A248 0.0839378702760998 A217 -E222 0.0838531332054218 G181 -K188 0.0838075485721561 I221 -S237 0.0827988582075321 S191 -T223 0.0825876748837658 S90 -T234 0.0825790684582353 F250 -L256 0.08237327161645 H240 -V246 0.0820445077138867 R110 -T198 0.0816155153765049 A170 -G185 0.0810694786795554 L212 -V239 0.0808118490728056 L203 -F250 0.0806475939259177 G101 -G107 0.0804740319396136 L205 -R225 0.0803795140096316 R189 -L205 0.0803249301412441 R111 -T198 0.0795116933533127 G165 -G184 0.0793927255799987 F218 -E245 0.0788088474372239 S90 -R95 0.0787043017233946 N173 -S191 0.078555745967094 E222 -F250 0.0785164046520359 D206 -P242 0.0784002650143139 R172 -K187 0.0781540430920229 D171 -I182 0.0780183754216817 R180 -K188 0.0776215184984173 K188 -V220 0.0773636633693675 K108 -T198 0.0771763711915279 G181 -S191 0.0771137958183528 G81 -S90 0.0769729204789131 G165 -I192 0.0765131911160433 K82 -D206 0.0763979984293058 K188 -A193 0.0763811966788719 L93 -K109 0.0759414468254187 V236 -L256 0.0757006490401666 L227 -F250 0.0755676061853283 G181 -E186 0.0751474185833585 E168 -I174 0.0751103115654255 S83 -R92 0.074636092918713 M164 -I182 0.0741792622878901 L227 -V236 0.0739130199569581 E168 -S183 0.0736023790588787 F204 -L227 0.0735538365743045 R95 -G107 0.0735027983178425 G184 -V220 0.0731504206123503 S183 -T209 0.0722007085296053 L89 -K102 0.0721771196320806 T209 -V220 0.0712197788438909 M164 -A228 0.0711438521029566 G184 -A193 0.0711062391179582 E207 -L249 0.0710553348724136 K188 -D206 0.0708911142706872 S183 -L212 0.0708578782198948 E195 -L224 0.0708346342415787 L93 -V103 0.0707780859073122 E186 -L212 0.0705334449110403 K187 -S216 0.0697833097820664 K109 -T198 0.0694561089789896 K109 -P200 0.0690838229381159 C169 -I182 0.069010310894722 S214 -Q241 0.0688749171095147 S219 -E245 0.0684603943662223 I192 -Q226 0.0683507285314023 M164 -R180 0.068270170506235 L105 -T234 0.0682474783447697 S90 -R110 0.0681026542986982 L85 -L202 0.0675090700228616 A217 -L249 0.0673591714277793 R189 -T209 0.0672128071077202 R180 -E186 0.0669843936315511 V220 -S244 0.0665068847073158 S90 -L203 0.0664715806161222 S191 -L203 0.0661325026309494 D171 -L190 0.0659832520324235 L212 -S244 0.0659532339376998 R111 -T234 0.0657486735732675 H178 -E186 0.0654959648207387 I192 -P200 0.0654566863052999 G91 -N106 0.0650078098265947 S243 -D252 0.0649728457506407 A193 -R225 0.0648570083876329 W177 -S183 0.0643805642431574 T209 -R225 0.0643642439894473 E245 -D252 0.0642591019500034 M164 -L227 0.0641697184338197 T209 -V239 0.0637634823461735 E207 -L224 0.0635271511681539 I182 -L194 0.0635188530222393 S216 -T223 0.0634520432665102 S183 -P208 0.0634394910058091 Q226 -A248 0.0628169337062373 A217 -E245 0.0626192052757117 E222 -A248 0.0624695488063871 S238 -S243 0.0624552974887812 K188 -E195 0.0624043780569501 A94 -L105 0.0621653475101072 N173 -R180 0.0621386893723876 S191 -D206 0.0617882571177624 S210 -S244 0.0616355471998031 I221 -S238 0.0616145143724789 M164 -E186 0.0615813921750967 A88 -R201 0.0608897895368572 K109 -F204 0.0599115155609313 A193 -T223 0.0596126163348849 D87 -R111 0.0590388652407317 L197 -A228 0.0586588267039136 M164 -V220 0.0586484333467823 A193 -R201 0.0582370372229484 I196 -Q226 0.0582091741082174 G81 -S257 0.0580682891784847 L85 -K102 0.0576982518626723 G165 -Q226 0.0570009211512481 G185 -E222 0.0569070527577979 A193 -F204 0.056238328945216 E222 -S237 0.0561268537383279 I182 -S191 0.0559048075474715 V220 -I235 0.0557177438743466 G185 -I221 0.0556319406303029 I196 -L203 0.055432480813951 R167 -R180 0.0553790625303694 G185 -A215 0.0552124932714744 G91 -L202 0.054936581935081 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