[Mon Aug 29 16:48:51 2016] >Input file: TMA0PP38M5G.pdb >TM segments: 36-125_ 153-178_ 208-240_ 382-399_ 482-521 MAIDEN score = -53.0962 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 ----------- ---------------- M172 -H209 10 A96 -R178 1.08324088931217 M43 -W48 0.973766630483678 R93 -V98 0.896568258016213 F153 -V226 0.886080684255409 L175 -H209 0.831654791246518 L44 -L50 0.774830758938663 I70 -L104 0.759114313012579 R164 -A215 0.742644661038895 I70 -R108 0.734319903759321 L42 -L47 0.715818938494059 Q487 -V508 0.709737162543511 L42 -W48 0.708253026626078 F153 -L227 0.697443007799784 E483 -V508 0.654377090620687 V99 -A173 0.65069716534088 A96 -Q176 0.631083333183675 V98 -A177 0.619563684737597 A66 -F111 0.613889172701172 Y110 -L115 0.596909871968071 G503 -V508 0.585317715183035 P382 -R387 0.533627948249316 F111 -P116 0.513074265448696 A96 -T174 0.503648745772508 E79 -P382 0.495100502814626 P64 -E72 0.493386469052167 S45 -L50 0.484237807086279 R164 -S212 0.483886263070506 E79 -P86 0.480094079864676 Q63 -Y114 0.454412060324815 A96 -A177 0.451944426154817 P507 -E517 0.442439094075005 R60 -G65 0.440694434751425 A171 -S212 0.439844909587999 S74 -L104 0.438923798912516 A510 -V515 0.435064266625728 R102 -L107 0.431138001328332 L47 -A52 0.426870680163193 A96 -A173 0.415151067023121 V98 -A173 0.413824534139835 V501 -V509 0.411815538464268 R492 -C512 0.409271508398303 L78 -V100 0.401779750614593 V69 -R108 0.396242839898206 G503 -V509 0.390460262742448 A167 -S212 0.390356740756554 S74 -T101 0.387822380757627 A66 -T112 0.378719332792699 A90 -A96 0.378104799370836 A52 -A59 0.376588503044569 A168 -T216 0.362301193652344 S80 -P382 0.360902974527294 E491 -T498 0.351960900163202 R164 -L169 0.347512081714799 S165 -H209 0.345981386376437 A83 -A90 0.343906685538069 G482 -Q487 0.343657082067293 Q484 -P507 0.338971826211329 V501 -D513 0.337033538550989 A96 -A170 0.33616299655626 R102 -L169 0.330397819807426 T161 -A220 0.328910303412507 V77 -R84 0.32755701587715 R164 -L217 0.327526074820025 A166 -A215 0.325965142745581 R505 -C512 0.325711598166015 L44 -A49 0.319022587696822 N87 -P393 0.314271150335111 E72 -T101 0.299779788661295 A490 -G496 0.299743954604569 L73 -L104 0.299375019793941 V81 -V98 0.294837649906844 L159 -R164 0.294288688850988 A168 -H209 0.293474802260225 S390 -A493 0.288402733304866 W386 -W391 0.285982938778685 N87 -R395 0.285579146675195 V99 -D105 0.285267538521564 A90 -A97 0.284667079060564 G75 -L104 0.284559907242977 L57 -G65 0.28378472500657 A173 -A208 0.282373467917092 M154 -L227 0.282142890825836 A97 -L175 0.281042297541137 G158 -L227 0.280508425182868 V501 -V515 0.279960661681711 L227 -G234 0.27978156864068 V99 -Q176 0.278309084121628 L78 -R84 0.276415110644887 L78 -A83 0.274867788737541 R164 -A213 0.273721380808841 T161 -I219 0.271624621722268 A66 -G106 0.271096995822567 W56 -P64 0.268938465874287 G103 -L169 0.267729213716582 E483 -R505 0.263877211269183 A167 -R210 0.263874895941936 R93 -A173 0.258533233343867 T117 -T125 0.253632863127302 G103 -Q176 0.250796505872183 E79 -N87 0.250285153485902 G39 -W48 0.249130042304128 Q63 -T117 0.245992236484479 T82 -L89 0.241810495464641 T117 -L124 0.24168813042319 L156 -S223 0.240850289249362 L486 -E491 0.240248827898716 W391 -V500 0.237890618830791 A96 -L175 0.237537003409945 G113 -L118 0.235551911049132 V516 -D521 0.235322813837434 H55 -R60 0.233655624432768 S165 -A213 0.23296397518755 A171 -A208 0.231774228241298 M43 -A49 0.229822008223166 Q487 -E506 0.229507564302288 L44 -T54 0.228989796892077 S40 -A46 0.228759947507622 G65 -G113 0.22689677753361 A83 -V383 0.225640300876439 V509 -V515 0.22441300713573 V501 -I511 0.224114059531872 S45 -A52 0.223863277711276 A90 -A95 0.220240844257079 G158 -A224 0.218117939044505 P382 -L389 0.214616014025944 A170 -R210 0.212739003970858 W48 -T54 0.212181809333485 R164 -M172 0.210680695320068 Q484 -R494 0.210667795383627 S80 -V99 0.209777749421541 S67 -R108 0.209360097138618 E72 -V77 0.209009221674846 Q487 -G503 0.208056626314312 D384 -L389 0.204140653553077 L104 -M172 0.202978400905037 T101 -T174 0.202524383950189 P507 -Q514 0.201607895421004 R178 -R210 0.199416381835501 S165 -L217 0.198847035026398 G65 -L115 0.198094751065559 A160 -R218 0.197571059402183 G482 -P507 0.197241273116257 G106 -A166 0.195142031945092 S212 -A220 0.194905882856323 A59 -A66 0.192334857411115 Q85 -P382 0.190300950666055 H504 -V516 0.189939933696986 A162 -S212 0.189793323748535 H504 -V515 0.189669547582294 R60 -A68 0.188313784937749 G106 -Y114 0.187644855359725 V98 -R178 0.187608415198665 A83 -R387 0.186257369388574 G39 -A46 0.185476288697604 W48 -V53 0.184244377431245 R84 -Q92 0.1842419541324 A97 -A177 0.183156245397099 T101 -A177 0.181354601439846 S74 -V100 0.180168540377093 R492 -D513 0.177764755892912 L78 -V99 0.17631902347766 D94 -R102 0.176068444623471 A96 -A171 0.175905563071003 E506 -V518 0.175652320858346 H55 -G62 0.175239750615468 A66 -S74 0.174813520944317 G65 -Y114 0.174122097274494 R108 -P116 0.173541068584889 W391 -T498 0.171406847456043 E506 -Q514 0.170131432039434 Q514 -T519 0.169007816239561 C512 -V518 0.168934577562485 T125 -A231 0.168399627877213 H504 -T519 0.167824301201003 G482 -V508 0.167159445487819 G106 -A213 0.166246269694951 Q487 -R492 0.166068074710533 D105 -T112 0.16239520448296 T161 -L217 0.162235639993315 Q487 -C512 0.162225314190082 G106 -A171 0.161722435019423 E163 -A168 0.15826958468631 E163 -L169 0.157821198709702 S165 -F221 0.157419130650506 V77 -V100 0.155903710337864 T174 -H209 0.15354419472278 G103 -A213 0.152601221580472 P64 -P116 0.152336358744792 P109 -T117 0.151632970391267 E163 -A171 0.151137775655188 G158 -P225 0.150642164391497 T82 -I399 0.15045163977824 V81 -R93 0.150103655615348 T174 -A213 0.149703734368617 E79 -V100 0.149553634153333 V99 -A171 0.148657115093316 Y114 -A121 0.147577548391624 P64 -P109 0.146794598527578 Q394 -R505 0.146496537899656 Q176 -R210 0.146402262252463 S165 -R211 0.146243706423565 R102 -A171 0.146072113783174 A95 -G103 0.146035716664982 Q58 -A66 0.145849913941131 A46 -A52 0.145668047209062 G65 -L107 0.145580356648435 T101 -A170 0.145386362981029 N87 -Q92 0.145288905357503 I157 -E228 0.145173659307691 R102 -A166 0.144209475939635 L57 -P116 0.143833424554426 R102 -A168 0.143603451370553 F153 -F221 0.142845538527365 T82 -P382 0.142772282105552 G482 -A490 0.139654389557188 E79 -V383 0.139272809686591 A95 -R102 0.139093042797152 V502 -V516 0.137296546183718 A68 -Q76 0.136162637613773 A493 -V500 0.136082143893874 A167 -I219 0.134900776918107 M154 -A231 0.134582687562804 A170 -R211 0.133695182102979 G482 -R505 0.133659907511922 G103 -P109 0.133635211806857 R93 -A170 0.133378836459764 Q92 -R178 0.133373943197151 R494 -D513 0.132823871135118 A68 -D105 0.132420932539195 A160 -A213 0.132376182593009 P109 -Y114 0.132138856055076 G62 -T112 0.131877579229478 V77 -R102 0.131582376418698 A173 -R210 0.131377398376455 A52 -R60 0.130773271245759 A170 -R178 0.130406933201318 R492 -V499 0.130163526445074 R102 -P109 0.129716499383389 T82 -T101 0.129033080763241 E483 -R494 0.128525594005756 V100 -L107 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0.106361368984043 R51 -A59 0.106179817962551 A96 -G103 0.106126410813553 R102 -A177 0.105897262949153 R494 -Q514 0.105607009421462 Y114 -F119 0.105449952835722 L156 -L230 0.104202593714566 M172 -R211 0.104104974498042 L169 -A208 0.103386497767062 E491 -D513 0.103356416886534 A488 -A510 0.10305123448574 T161 -A224 0.102324452719452 T498 -V516 0.102136941021366 G106 -A162 0.101988659047815 C36 -S45 0.10153700092152 G106 -T112 0.101099558376695 Q484 -V509 0.101020309032032 G106 -A173 0.100483867267097 G103 -A168 0.100348810213725 A95 -A177 0.1002515273304 V98 -A166 0.0999014606450692 G75 -T82 0.0998440136470942 Q176 -A208 0.0996134611629271 G503 -T519 0.098781376413028 T112 -F119 0.098767774549561 V99 -G106 0.0987323990614186 A97 -A173 0.098685739815906 H504 -E517 0.0984202072744002 A96 -L169 0.0983800517589315 G62 -V69 0.0982527609079398 T174 -R210 0.0980936086610015 L175 -A213 0.0979524683991586 A166 -I219 0.0978241542215894 R108 -Y114 0.0976630471297542 I157 -I219 0.0975092841713652 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0.0723552560188061 A490 -V501 0.0722201370020437 A167 -L214 0.0720201246629637 G113 -F119 0.0720135599153675 G158 -F221 0.072009645099901 A510 -V516 0.0718853399344388 R60 -P116 0.0718362866367999 Q85 -V100 0.0716239144219712 P393 -L398 0.0714999273760153 A46 -L57 0.0711584243099903 E228 -V235 0.0711048716125502 R84 -D384 0.0710709611111744 G482 -G503 0.0709666171896683 S45 -W56 0.0702791522896097 T82 -V99 0.0702750785951156 V500 -I511 0.0702519474616174 A68 -L115 0.0701508868927787 R108 -T117 0.0697196670915202 L73 -R102 0.0696234390072372 R84 -V98 0.0695669019310357 V383 -W391 0.0694166100734499 I70 -L115 0.0691509876059735 A162 -A170 0.0690745724515045 Q487 -V499 0.068956054116821 P64 -Y110 0.0689421321240307 E88 -D94 0.0686425267473059 A97 -R178 0.0685544472457043 S67 -Y110 0.0682903829629273 T101 -M172 0.0682143052762452 M154 -L159 0.0681883797366281 V69 -T112 0.0680162846546604 V69 -Y110 0.0675718607645712 I157 -L230 0.0675476852672725 R505 -E517 0.0675215252375789 A167 -L175 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