[Mon Aug 29 18:13:38 2016] >Input file: TMA4BAC4M1G.pdb >TM segments: 167-173_ 176-182_ 187-206_ 220-246_ 277-315_ 324-332_ 334-354_ 376-416_ 419-425 MAIDEN score = 75.4729 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 ----------- ---------------- L246 -A280 10 N396 -P405 10 D244 -P281 10 W195 -S341 10 P191 -S346 10 P380 -D388 10 G245 -P281 7.64993536261096 N396 -S406 3.39492400635129 E330 -L343 1.82190673300359 L170 -E180 1.79414908558406 L246 -P281 1.78536964748772 R397 -L407 1.68902759378019 M331 -I338 1.52907035165545 M331 -F337 1.42993719937495 H241 -Q392 1.40380842884097 L239 -T291 1.28840000949347 L298 -I303 1.23426759588222 A172 -I177 1.226837096756 S401 -L407 1.18189178583031 T243 -F285 1.1115638362169 A413 -R421 1.04476965752685 L395 -F412 1.04120103543821 Q415 -L423 1.0341185623752 F337 -Y342 1.02921762201864 T243 -Y287 1.00763720958314 W226 -A232 0.98090967777523 H241 -F285 0.969656359882328 P405 -A411 0.964362388695066 W393 -F412 0.949610273345313 W195 -Q420 0.921377130466615 D388 -L395 0.911927740555255 L222 -L298 0.898408437160051 D297 -L336 0.896435792922827 H284 -N381 0.895870194952225 M324 -K352 0.883342864924606 V299 -D310 0.874045403740566 D310 -L336 0.85842579537537 S387 -P405 0.855103211822188 I234 -L239 0.85091231180968 A377 -D388 0.849633176572934 A168 -E180 0.822018154938699 F279 -T291 0.817592887773393 V171 -I177 0.808670042163734 D230 -L246 0.804323621546182 L395 -W404 0.762016306741861 W195 -G416 0.760256006392633 I295 -Q300 0.74175256698142 D229 -A280 0.721078139033898 W394 -F412 0.717365086353791 A168 -Y182 0.704336955984044 K199 -A414 0.697573640873001 L246 -F279 0.694513925781511 L193 -L343 0.687539614738418 F412 -L423 0.687377318626654 A345 -W350 0.684364053986656 K386 -P405 0.679249264639584 A411 -L423 0.678037757497773 E330 -I338 0.676815608715167 L205 -Q300 0.671685061987684 L193 -A345 0.670894279105974 A328 -L343 0.669103370434918 L169 -S181 0.668461417358995 L193 -Y342 0.646033857138973 Y329 -A345 0.64490031393913 P402 -L407 0.641485597099591 A351 -V422 0.637621763461408 G194 -S341 0.637055710256963 H225 -D297 0.632369819845495 F412 -V424 0.630700464931613 V171 -A351 0.62946999987666 L170 -A351 0.628549121004653 L239 -P281 0.626683625875411 M242 -N286 0.620949690885452 D244 -Y287 0.61081333338398 R231 -L239 0.603336156045561 R397 -A411 0.591320260341869 L239 -I295 0.586923678974361 D233 -P281 0.586562723584401 M242 -F285 0.584961631342629 A377 -K386 0.578409906101455 L395 -S410 0.576775242037356 P191 -A328 0.576160855478783 L239 -A292 0.574388785779824 P405 -F412 0.572813756359315 V201 -I314 0.571071517117609 D399 -L407 0.568369581892037 A227 -D233 0.567757818426548 K386 -W404 0.563112983561004 G245 -F285 0.559886468174625 V206 -I295 0.554566862061464 V206 -A296 0.553219469548127 L236 -I295 0.548309981843063 K199 -W393 0.546081754293563 N202 -I314 0.544533572234008 G354 -V422 0.543498089471006 D332 -Y342 0.541635362013817 V206 -V299 0.541609160755995 L240 -A292 0.541077752394497 R167 -L192 0.538342413043293 D238 -P281 0.534020821218001 N202 -I295 0.532150151487656 W350 -V422 0.525864774323524 Y223 -D297 0.525631035613293 D297 -F337 0.520680590005975 G194 -Y342 0.519455771223247 D229 -F279 0.51707208619368 F285 -P380 0.515942080961419 R376 -S387 0.514867572500973 F285 -D388 0.514451216789892 D244 -F279 0.513041229002916 D238 -F285 0.51228358344765 M197 -L343 0.510206853283011 N396 -A411 0.506834843191196 N396 -F412 0.501795242231693 S200 -W393 0.4924054369342 K199 -G339 0.491084287339932 M331 -L343 0.489990072371414 V307 -N312 0.4899715680929 K386 -G398 0.48618836533919 Q301 -Q308 0.485646272668934 L246 -S288 0.484881555090523 V327 -A345 0.484809929749773 N381 -K386 0.483719227448082 T221 -A227 0.482510192005698 L169 -A347 0.476813958920675 L205 -I314 0.471854596840739 Y223 -R302 0.468932888528788 T198 -L343 0.467688424877013 L222 -R302 0.466485395733804 L204 -Y391 0.459439073290617 I234 -P281 0.458807316775698 D400 -P408 0.455742701342277 Q189 -Y329 0.453115116626239 Y342 -Q415 0.449332145379151 Y223 -L298 0.437422766912507 S387 -L395 0.429726716165827 V311 -Y329 0.429433465434393 S289 -S341 0.426658922209006 L169 -Y182 0.426254378284684 F412 -L425 0.423944275345438 P405 -A413 0.423890411363304 Y223 -A232 0.423424429196001 V171 -V178 0.419637561403873 R231 -G290 0.419275751064101 R278 -L294 0.418880215622052 G290 -S340 0.416044125439204 L192 -S346 0.414270287333482 Q301 -D310 0.41088788689256 L170 -I177 0.410498309307154 T190 -A345 0.41037990513311 F279 -L294 0.410166785622256 L395 -A413 0.404377469525978 R376 -S406 0.403630025841156 L395 -A411 0.402618892058965 S387 -W394 0.401555450822658 S196 -A414 0.39803408175064 D230 -A280 0.397697813018661 S196 -S289 0.397053312587493 A172 -V178 0.395387502625745 V299 -T304 0.392588190299985 L395 -S406 0.391601917621959 A188 -A347 0.390877199427912 A411 -L425 0.39025794437662 D230 -F279 0.390063318438588 L170 -V178 0.386046209041606 A413 -L423 0.384679204745375 N396 -P408 0.381633613025476 T221 -A232 0.38045118863052 E237 -P281 0.379865648719669 A168 -A351 0.379365385465129 L169 -R348 0.377916972195806 P281 -N286 0.377545781560774 I234 -G282 0.376919561770997 D400 -L407 0.37405650069149 D332 -F337 0.373793856680997 A168 -A345 0.372890069456364 H225 -D233 0.370449157819159 S326 -S346 0.370188749076778 M242 -S288 0.366606585997619 L170 -A347 0.366188627417794 P405 -Q415 0.365889626866937 Y182 -D187 0.365698521215503 A280 -T291 0.362711775519624 R278 -G290 0.362648758091333 N396 -W404 0.361611568117819 S200 -H241 0.361048354619116 S200 -A414 0.360780173640524 R376 -G398 0.358971851006728 D244 -T291 0.35661174024445 A188 -R348 0.356423967135288 A414 -L423 0.355194713040307 A203 -L240 0.354584748599762 W195 -S340 0.354154202864308 R376 -D399 0.352296685679341 T325 -D349 0.351958473655432 H241 -S289 0.344081825961367 M331 -L336 0.343702565306806 P191 -A347 0.34348984875532 N293 -R302 0.343242105805069 R231 -F279 0.343061477472633 Q300 -V311 0.342128432061091 A203 -A414 0.341367838426399 G245 -H284 0.340825505265976 P380 -N396 0.34035049636307 F279 -S289 0.339966449467742 K386 -A411 0.339400745829231 S196 -Y342 0.33920574708169 Q300 -G305 0.338779383007918 M242 -Q392 0.338129488740863 R302 -N312 0.338044965518502 A179 -A351 0.337199649189515 I338 -L343 0.332886485265277 L205 -V299 0.332643444601628 A172 -A347 0.332183104285359 R231 -D297 0.331995369062532 Q301 -G306 0.331944590917147 S200 -Y391 0.33150356136997 V206 -D310 0.331383267122678 A328 -S346 0.329823571344373 G390 -L395 0.326096408149612 S406 -A411 0.323928503729615 M379 -Y389 0.321160290208749 A292 -Q392 0.318880541979239 V311 -F337 0.318284522178395 L240 -T291 0.314780132607631 A328 -K352 0.308594331144288 M379 -G390 0.308465753948528 S387 -P408 0.307591062526588 A168 -G194 0.307179919241545 K199 -Q420 0.306772471057913 P380 -Y389 0.30668180111492 A232 -G290 0.30589799395075 L193 -E330 0.305831707240875 Q301 -V307 0.305624460765816 Y344 -V422 0.304765031057055 M197 -Q420 0.304683785496497 E330 -L336 0.304405192878023 K199 -A292 0.301801370267375 N202 -M242 0.299492459574322 H284 -G390 0.299322775032924 L193 -Y344 0.299072132093737 W195 -L343 0.298089425981729 K199 -A345 0.296881641343447 F285 -G382 0.295954497160899 V315 -M331 0.295738500459811 P191 -T198 0.295602959130803 L205 -A313 0.295381047511831 S200 -G416 0.294975193731686 Q189 -M324 0.294510085405547 D297 -M331 0.294171243411069 A377 -N385 0.293289895831879 S196 -G290 0.292790601513946 Y389 -N396 0.291344628766014 R376 -L395 0.291266605055846 L205 -G339 0.290007391865881 K199 -Q300 0.288715389830618 W394 -A414 0.288225699582817 M379 -R397 0.287731921659983 L277 -G335 0.285794925878659 R235 -L240 0.284561207586924 L240 -G282 0.284390859414091 L192 -A347 0.284284865183857 A296 -G305 0.283700370557413 R167 -E419 0.283060636124993 L240 -Y391 0.282628628076059 W393 -A413 0.282149496504784 N312 -M331 0.280814080570033 L169 -A179 0.279564764384602 G290 -Y342 0.279043232222108 W226 -T291 0.277897721315187 S326 -A345 0.277747174662997 A203 -A292 0.277466237901055 Q189 -S326 0.277059194439323 R231 -I295 0.275628078350509 G416 -L423 0.275314507051195 R231 -L246 0.275129176638075 D244 -T283 0.275027164746787 L222 -I303 0.274006584885526 A377 -D384 0.27355263406029 S289 -G416 0.271178397058927 D230 -G290 0.270915002928076 T220 -D233 0.270876358664863 D238 -Y287 0.268855564712931 P405 -S410 0.268845575826274 Y287 -D388 0.267592879373115 L222 -G305 0.267462769370443 G305 -D310 0.266237996141556 G354 -A411 0.266089643998043 T243 -T283 0.265644756477261 W195 -Q415 0.26431172891454 G290 -D297 0.263932346840868 F279 -N293 0.263691481228682 L239 -L294 0.263431059555303 S387 -A413 0.262212271924211 N202 -S341 0.26206672982695 D297 -V307 0.261716704436456 W394 -G416 0.260841455509101 E237 -F285 0.260833832483677 G398 -L403 0.259600668275104 A168 -A188 0.258471356164227 E180 -Q189 0.255245797438417 V201 -D297 0.254868527141404 D349 -V422 0.254698341487956 A203 -I295 0.254585897725198 W393 -G416 0.254513103511547 G194 -S200 0.254400625318322 P281 -N293 0.252940267197394 V201 -D349 0.251572816815924 Q300 -G335 0.251333508497314 D388 -D409 0.250902122300804 S341 -Q392 0.250119946790265 D228 -D244 0.250030132473413 D238 -Y391 0.249231495464156 D244 -D388 0.248371402262639 D388 -D399 0.248345214123769 S387 -L407 0.246568312662079 D229 -D238 0.246075193906806 Q301 -N312 0.245405896526834 L239 -S288 0.245196454547339 L298 -G339 0.244420642805487 D228 -D233 0.243642730178364 H241 -G382 0.243026338914488 G282 -S288 0.242806796853889 F279 -G290 0.242645844117142 P380 -P402 0.242142945490609 S346 -Q420 0.242003285038806 D233 -D297 0.241621225459613 S410 -L425 0.241567787435315 M197 -S341 0.24046350632284 Y391 -A413 0.240316371954564 L403 -P408 0.240311166015407 M242 -Y389 0.239917605393245 A232 -L294 0.239811966953451 D388 -D400 0.239585357643457 A179 -A347 0.238031000041792 L222 -T304 0.237841360983633 D230 -D297 0.237524556870861 T190 -W350 0.237301102789829 M242 -G390 0.236778640937968 M197 -G416 0.236559093397316 S309 -L336 0.236504251687753 N202 -L240 0.236439249943863 Y391 -P405 0.236425344522411 N293 -Q300 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