[Fri Aug 26 17:25:55 2016] >Input file: TMS9WNI3M1D.pdb >TM segments: 245-326 MAIDEN score = -13.8183 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 ----------- ---------------- I309 -L315 1.23443365267857 I264 -L291 1.20181472121182 A248 -R278 1.02138350577412 L292 -R297 1.00343181534122 K249 -A274 0.95219778096545 E268 -L291 0.919613391126433 K306 -A318 0.90330402956542 I264 -E294 0.869223272551345 I309 -Y319 0.849274991122525 L258 -I264 0.811513939363353 L285 -L307 0.721885903092443 I264 -N295 0.696600221186266 L302 -I325 0.694630404735453 I309 -T314 0.687300284818669 L275 -M281 0.673854073591976 Y271 -L285 0.673140862692349 L254 -A270 0.618900704120827 R272 -L288 0.614917278517324 L288 -Y304 0.587027236819147 L302 -T322 0.578741916326049 V257 -A267 0.556184069445549 F298 -I325 0.542559085684901 A274 -M281 0.542339933441886 Y305 -Y319 0.518316488524299 A274 -M284 0.498127974749083 W251 -N273 0.487641204443415 L275 -N280 0.486404825164921 A282 -L307 0.479909547602322 L275 -L285 0.460696359734691 W251 -Y271 0.448959765186182 E300 -T322 0.448192790424514 L288 -A301 0.44410638129064 D283 -L288 0.443564524855764 L254 -A267 0.442424501800403 Y271 -L288 0.434780563481739 Y286 -S317 0.422689348126552 D283 -A308 0.417223789464447 Y305 -N321 0.414703503585046 H303 -N321 0.412937049253289 Y286 -N321 0.40884012084882 L292 -F298 0.401684452408307 K249 -M284 0.393930527824244 E300 -K306 0.392853871762053 K249 -N256 0.388141024471805 N246 -W251 0.386574089677584 W251 -N256 0.385126309218384 I309 -A318 0.372069761745268 D283 -A318 0.370562248469468 Y286 -L307 0.369309709297266 L290 -A301 0.362082956200846 A308 -L315 0.350720167134338 L291 -A301 0.348735560587766 A308 -P313 0.344516435510844 A267 -L291 0.343473964070755 Q261 -E294 0.33718008506723 R278 -D283 0.334742324007653 L275 -M284 0.327883468474394 A282 -A316 0.327557389052441 Y304 -G323 0.327293687845585 A301 -G323 0.323597234646039 Q293 -L302 0.32240021094478 K259 -Q293 0.32172940459485 L307 -R312 0.31522284978608 A282 -I309 0.313319824433119 L285 -Y305 0.311261188950709 L288 -E300 0.311249073047207 R272 -N280 0.309838256725178 Q261 -E268 0.308571155702618 K306 -Y319 0.308543266864695 H303 -G323 0.303807704074233 K306 -R312 0.302897575919516 D283 -L315 0.302774942179834 G289 -G323 0.295750274716717 A282 -L315 0.292111479553856 Y304 -P313 0.290499283786003 A248 -N273 0.286656423127891 E268 -Q293 0.285173667917864 M284 -N321 0.285160427737384 S279 -G310 0.283213059823101 A248 -L275 0.28096894722545 E268 -L292 0.280638247278505 Y271 -N287 0.28045998787358 R272 -L285 0.280146979299873 R297 -L302 0.278024346996485 L291 -R297 0.271893153656241 Y286 -K306 0.271641810949516 K306 -T322 0.266291676275597 G252 -M284 0.262760286110856 L254 -K259 0.260391352388355 N280 -P313 0.260108092036386 A267 -L288 0.25957029805596 S265 -L292 0.259103862594169 S262 -L291 0.257081939266429 W251 -A270 0.253593964963694 P313 -T322 0.250566319022191 S265 -Q293 0.249886591962928 M281 -A308 0.242053716511647 T314 -L320 0.241968985264368 N280 -L285 0.239847054972622 L292 -A301 0.237943018536589 M284 -R312 0.233092666129694 L258 -A267 0.232062884658689 G289 -S317 0.23105017373526 Y271 -M284 0.230304991157008 G255 -L285 0.227324206063621 G289 -L302 0.224979845794164 A301 -I325 0.224715613200048 G255 -E268 0.224628925135934 R297 -Y305 0.223411431452488 R272 -Y277 0.22060378113664 Y286 -F298 0.220288009241825 L315 -T322 0.218155370529649 N287 -Q293 0.216476550269331 H303 -S311 0.215821245925326 L290 -N321 0.214877214451645 V257 -M284 0.214256159014168 Q293 -G323 0.21356562290279 I264 -G289 0.212952255766273 G252 -G289 0.212130846832453 K249 -M281 0.211480776016278 A250 -Y277 0.211247525247453 H303 -A318 0.210909140988557 N256 -R272 0.209152975612425 G252 -E266 0.209113628970345 N287 -Y319 0.207854594158789 D283 -Y319 0.206734630828671 P247 -S269 0.205540805247321 A267 -G289 0.204588019802354 S260 -S269 0.204579378827372 K306 -P313 0.204477934303641 N253 -R272 0.201865664321323 G289 -Y304 0.201467656477339 S262 -Q293 0.200633910822899 L285 -P313 0.199251381034724 D283 -A316 0.199084194334191 Q293 -N321 0.19907934889272 A248 -A274 0.196203172941913 Y271 -S279 0.191484001292751 N253 -M281 0.190915320151798 N287 -T322 0.190854955843056 E300 -A308 0.189342592392674 W251 -K259 0.188613712576791 A250 -S269 0.188539654165283 W251 -Y276 0.188436446808436 A248 -Y277 0.18793971148466 N253 -S265 0.18463209960794 S269 -Y277 0.184381491926941 S311 -N321 0.183874257452335 W251 -R278 0.181716655494381 S279 -L285 0.181378610021268 G255 -L290 0.180117026590631 N256 -N287 0.179897879954408 K259 -E294 0.179252230004467 D283 -Y305 0.178827360509019 E300 -Y305 0.178771441174788 Y286 -E294 0.178478282417293 L315 -G323 0.178121486717742 M284 -G310 0.177957964542493 K259 -N295 0.177543960528039 N256 -G289 0.175595518260032 V257 -E268 0.17505979549885 Y304 -S317 0.175025787593945 S279 -Y286 0.174390666898867 E268 -Y276 0.17420963864305 K259 -D283 0.174002337991733 P247 -R272 0.173902917662653 D283 -T314 0.173522018750554 K249 -L254 0.173240051483163 Y271 -A282 0.172142357996468 F298 -K306 0.172033664597229 E266 -R272 0.168768956615162 Y286 -A301 0.168346702108055 I264 -L292 0.167751977495346 N280 -Y304 0.167719854025777 G289 -E300 0.167156268410825 K306 -L326 0.166418023079182 L290 -K306 0.16421439780189 S279 -P313 0.161694761256921 W251 -A274 0.159212898943163 W251 -D283 0.158594454887933 G252 -N280 0.158017186751652 K259 -S296 0.157833225100843 E294 -A301 0.15756398557518 Y271 -Y277 0.157420237681592 L288 -S317 0.156420403418648 K249 -R278 0.156344068632282 K259 -L291 0.155763085563462 G289 -I324 0.155615421597309 L307 -S317 0.154699247850159 T314 -T322 0.153721406313825 L285 -K306 0.149554351262286 N280 -N287 0.149007189108831 A248 -D283 0.148026285503501 L291 -E300 0.147332821494532 Y276 -Y286 0.146977660333114 K249 -S269 0.146036967802182 A267 -Q293 0.145935159148933 Y271 -Y305 0.145071665691331 M281 -G289 0.144479291081175 K263 -L288 0.144238840727921 R272 -A282 0.144071076917135 K249 -S279 0.144022118225578 M284 -L302 0.14368943217875 N253 -S269 0.143500177015804 S265 -E300 0.143446588723975 S279 -R312 0.141933109063573 N253 -L291 0.141735538293961 S265 -R297 0.141135734889912 L275 -Y305 0.140163343016968 N287 -E294 0.13931792509708 N253 -L275 0.13921091062976 E268 -Y286 0.136414848672843 N295 -L302 0.136390305062418 N256 -N295 0.136206000160348 K249 -L285 0.135361072855196 L307 -L320 0.133932124190728 N256 -Y286 0.133763247485976 P247 -L254 0.133656367045897 G310 -T322 0.132592205785565 Y271 -A308 0.131628277104489 L285 -A308 0.131437312348345 N256 -Q261 0.130911955030607 N256 -I264 0.130754711013719 K259 -G289 0.129929469778405 E266 -N287 0.129798544710149 N287 -L292 0.129564968893036 N253 -D283 0.128636635949613 Y271 -Y276 0.128204805466184 Y276 -Y304 0.1277291295537 N246 -A270 0.127004571774987 A250 -R272 0.12660351280218 L254 -E266 0.126079109748933 G255 -A282 0.126052522631298 L285 -L320 0.125570130110598 N287 -A316 0.125551104914233 Y271 -Y286 0.123928115830707 G252 -I264 0.123644897370488 S269 -A301 0.123563299199584 L290 -E300 0.122943612068164 Q261 -S269 0.122348575253897 A250 -R278 0.121006668352038 G252 -A282 0.120053170006123 E268 -Y304 0.119460309090978 Y304 -R312 0.119154708322839 Q293 -A301 0.118930778515425 P247 -A270 0.118835090960976 A274 -S311 0.118648163798401 L290 -H303 0.118141390065064 H303 -Y319 0.11803970716866 N253 -Y286 0.117653985089089 N246 -G252 0.117339219547571 L290 -L326 0.117253892652855 L258 -L292 0.116374717813732 Y304 -I324 0.116264394654944 K249 -N280 0.116148757015713 L285 -S317 0.115665782626635 I264 -A301 0.115511515809034 N273 -A282 0.115482965054491 L290 -S317 0.115165598150753 K263 -N295 0.115120227320369 K259 -L290 0.115113006527506 Y271 -A301 0.114493515682634 A248 -A267 0.113849789517434 S260 -N287 0.113732580110973 N256 -S269 0.113589345070007 A267 -M284 0.113172943267585 A282 -Y319 0.112635221680353 R278 -A308 0.112407962681028 Y271 -L307 0.111955661357205 L290 -L307 0.111944569905225 A250 -N287 0.111597128193558 D283 -G289 0.111496920563934 A270 -L291 0.111274045536745 N253 -S260 0.110672189592227 P247 -M284 0.109797600739581 N256 -D283 0.109667289532557 Y304 -L315 0.109121611384397 S279 -K306 0.108766154358285 W251 -L275 0.107517661954125 A248 -N280 0.107244541075964 Q293 -A299 0.107190171038991 P247 -L275 0.106971089089476 D283 -P313 0.106885348870954 A270 -G289 0.10624761029151 A267 -Y286 0.106193162842622 E268 -S296 0.106066687051594 A267 -S296 0.106061187413411 S260 -L290 0.105957293997527 L290 -A316 0.105237700873619 A248 -V257 0.104496072498912 Y286 -G323 0.104473523190498 A270 -R278 0.104450912701372 N273 -N287 0.103953485599361 K249 -V257 0.103766179464548 L258 -L288 0.103727478933936 N280 -L315 0.103682071385125 N321 -L326 0.103414860794913 L258 -M284 0.103362532623581 G252 -A270 0.103178952956458 A301 -L326 0.103054034172842 L288 -I325 0.102355825526033 S260 -L292 0.102328277885013 S279 -Y304 0.101820821301111 E266 -N273 0.101812739886451 A308 -A318 0.101704454078556 R272 -R278 0.101674682586724 A282 -A301 0.101625427405863 A299 -N321 0.0999640447344943 S265 -A274 0.099224133052908 L275 -L290 0.0988691632955061 N256 -N273 0.0983819910462401 Y276 -L307 0.098234709230459 S260 -E266 0.0979148219231625 L291 -I324 0.097359868506234 A282 -L290 0.0970629114724353 F298 -A318 0.0967920638027313 L254 -L288 0.0964708262206775 A308 -L320 0.0960430257242604 E294 -Y304 0.0957400562711168 L291 -Y305 0.0950974407070586 S296 -L302 0.0950185856681074 Y276 -A282 0.0949864769579338 G252 -L291 0.0945376057025547 S262 -E268 0.0942462278835312 N287 -L315 0.0942386195619136 I309 -L326 0.0938017842234385 S260 -L288 0.0934778588552705 V257 -L291 0.0934470369313787 L285 -I325 0.0929417086535852 E268 -R297 0.0927687722897921 L254 -L275 0.0927463725722015 L254 -S265 0.0907691939924664 A267 -L275 0.0902813805868612 E266 -E294 0.0898394619380793 A274 -Y304 0.0897533002258215 A274 -Y286 0.0896188875506205 L292 -L307 0.0894687321840717 N246 -A274 0.0890710474720375 S262 -L292 0.0885095532831526 Y271 -N280 0.0882841121798297 I309 -S317 0.0882788803725063 L291 -L307 0.0872902388343233 L288 -Y305 0.0872726170336362 L288 -Q293 0.0871508705906079 A250 -Y276 0.0869889272159812 V257 -Y271 0.0866040269755084 R278 -L307 0.0860759950720112 R272 -L307 0.085870337276738 L275 -A301 0.0857928228783038 L315 -I324 0.0856597105786964 K263 -Y271 0.085441188901771 L302 -L315 0.0850150504796909 Y305 -A316 0.0849859683681995 E268 -M281 0.0845465590820533 R278 -S311 0.084541142762161 A282 -T322 0.0844443244527349 A270 -L285 0.0842094968718481 N253 -L285 0.084013091544648 N287 -N295 0.0836791545896964 N253 -S262 0.0836759339594453 A308 -G323 0.0835171552294911 A248 -A282 0.083227312423984 G255 -L291 0.0832179849738415 Y304 -L320 0.0825590073836349 L302 -L320 0.0818513019685563 M281 -P313 0.081570923524902 A274 -G289 0.081465477880311 K263 -L290 0.0812005407200074 K263 -S296 0.0811567576589898 L254 -S262 0.0809255843771854 L275 -S311 0.0807996869270746 R272 -L290 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