[Wed Aug 24 23:55:28 2016] >Input file: TM1A0SATG.pdb >TM segments: Q78-98_Q104-122_Q225-231_Q243-250_Q258-264_Q287-293_Q309-315_Q336-342_Q355-361_Q374-380_Q392-399_Q416-424_Q441-448_Q471-480_P77-98_P105-122_P224-231_P243-251_P257-264_P287-293_P308-315_P336-342_P354-361_P374-381_P392-399_P417-424_P440-448_P472-480_R77-89_R105-122_R225-231_R243-250_R257-264_R287-293_R308-315_R336-342_R354-361_R374-381_R392-399_R417-424_R440-448_R472-480 MAIDEN score = 140.1782 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 ----------- ---------------- T376Q-Q398Q 10 N250Q-M259Q 10 G82P-Q478P 10 N250P-M259P 10 G82Q-Q478Q 10 G82R-Q478R 10 K419P-M447P 10 F225R-M249R 10 N250R-M259R 10 K419Q-M447Q 10 F225P-M249P 10 F225Q-M249Q 10 H251P-M258P 10 K419R-M447R 10 M357R-F377R 7.1562166268871 M357Q-F377Q 4.3929128724763 M357P-F377P 4.16067339108622 I246Q-L263Q 3.62576791876256 I440P-M479P 3.35589731753635 T376P-Q398P 2.53987735438727 I246R-L263R 2.35062357646649 I246P-L263P 1.90019200082627 A96P-I108P 1.85495876869825 M258R-L292R 1.82893496510671 M258P-L292P 1.81605955994451 M259Q-L291Q 1.80339760445882 M259R-L291R 1.79610780637553 M258Q-L292Q 1.78895811737808 A96Q-I108Q 1.77137312066266 M259P-L291P 1.73804480820476 L312R-R338R 1.70681240826905 L312Q-R338Q 1.65421642632405 L312P-R338P 1.61286724258722 M258R-L291R 1.3427753568996 M258P-L291P 1.33861834150704 M258Q-L291Q 1.32200950067737 Y342R-A356R 1.29816995326615 Y342Q-A356Q 1.26261374230936 L292R-L311R 1.25994983951575 L312R-I339R 1.25584502596502 L312Q-I339Q 1.2431152511775 L312P-I339P 1.23839798308693 L311P-I339P 1.23121037303439 L227R-L247R 1.21914288729958 I84Q-F475Q 1.21354505369731 I84R-F475R 1.20581567737332 I84P-F475P 1.20364485163959 Y342P-A356P 1.17726998148009 L311Q-I339Q 1.17705306786333 A423P-Y443P 1.16552916594056 L358R-T376R 1.1653441486183 L311R-I339R 1.15840719346522 I339R-L358R 1.15141923043773 L227Q-L247Q 1.14646654988508 L292Q-L311Q 1.1405112961716 I339P-L358P 1.13137359506222 I339Q-L358Q 1.1311040933699 A423R-Y443R 1.10715607534706 L227P-I246P 1.10613646803142 L227R-I246R 1.10038248231455 L227Q-I246Q 1.10010993500205 L292P-L311P 1.06084822235466 R380Q-A392Q 1.05287938445822 R380P-A392P 1.04541352383133 R380R-A392R 1.04085125515371 L420R-W446R 1.03695004353521 L420Q-W446Q 1.03685297460058 L420P-W446P 1.0360724732591 I108P-Q398P 1.01989302060482 T444R-F475R 1.00774274590575 I108Q-Q398Q 1.001245336653 M85R-F475R 0.995965070764251 Y228R-I246R 0.992275351257591 I440R-M479R 0.991528409835339 A423Q-Y443Q 0.989405191596449 I108R-Q398R 0.97860011883564 M85P-F475P 0.966786837462758 Y228Q-I246Q 0.953033349959762 L312Q-W337Q 0.952771217071809 L312R-W337R 0.950179078746142 L312P-W337P 0.941864015595892 V83R-D116R 0.935850880766852 T444Q-F475Q 0.933267590785282 V83Q-D116Q 0.931661176862367 V83P-D116P 0.928857438147804 Y228P-I246P 0.927456054779441 W374R-Q398R 0.914088368686303 L358Q-T376Q 0.907274711607968 M85Q-F475Q 0.905067191798485 V83R-A115R 0.900780064352809 W374P-Q398P 0.897654831655392 L291R-L311R 0.895471829364901 W374Q-Q398Q 0.877756778443008 K308P-A340P 0.87313588602314 V83Q-A115Q 0.867960778007621 L358P-T376P 0.86666532914921 I84P-Q114P 0.86594106136236 T444P-F475P 0.864657688863161 K308R-A340R 0.861597285543504 I84R-Q114R 0.842638783064089 N224P-M249P 0.817027831430448 L291P-L311P 0.814817360903408 L227P-L247P 0.7960867922624 H289P-L312P 0.774804471225941 L291Q-L311Q 0.764740724898321 H289Q-L312Q 0.764612408608447 H289R-L312R 0.759608545957781 I84Q-Q114Q 0.759309195172266 M447R-W473R 0.757898379062561 M447P-E472P 0.737567830638972 M447Q-E472Q 0.735099172215142 L247Q-L263Q 0.734096118973295 L247R-L263R 0.732009652544773 M447P-W473P 0.731653044188173 H289Q-H315Q 0.712489140946949 F442Q-V477Q 0.711355331115998 H289R-H315R 0.711350543801959 H289P-H315P 0.711170683225756 M447R-E472R 0.705997488526848 M447Q-W473Q 0.703093409213372 F442P-V477P 0.699573522728931 K93P-I98P 0.69777715801717 K93Q-I98Q 0.696469751642965 Y393R-L420R 0.689776918507285 Y393P-L420P 0.689741336482721 Y393Q-L420Q 0.686147702342397 L263R-V288R 0.678330052790074 G77R-V119R 0.677824306320884 L247P-L263P 0.677717609465571 M357P-A375P 0.677244954581069 M357R-A375R 0.676524545942072 L263P-V288P 0.676518257810673 D448P-E472P 0.670362460848786 D448R-E472R 0.66778081461941 D448Q-E472Q 0.666445603308854 L292P-L312P 0.665935625601243 M357Q-A375Q 0.665912844713582 I84P-T92P 0.6640087484737 G77P-V119P 0.662938576427565 L263Q-V288Q 0.662627702006661 M258P-A290P 0.661468100357959 M258R-A290R 0.660177248970983 G112Q-S445Q 0.656838103921268 L292Q-L312Q 0.65360306207778 L292R-L312R 0.652757703156264 I84Q-S94Q 0.647627019456632 I246P-R264P 0.64589001506433 I84P-S94P 0.641355539615633 I246R-R264R 0.638935046499258 L227P-Y245P 0.638268380816846 G112R-S445R 0.637395347723279 M258Q-A290Q 0.631689704540876 Y342R-A354R 0.629365132247258 L227R-Y245R 0.628347048547464 I84Q-T92Q 0.628127859374703 L227Q-Y245Q 0.626581194263875 Y342P-A354P 0.620469111193208 G112P-F475P 0.614076710076764 A340R-L358R 0.612841081637989 G112P-S445P 0.612264019692664 E394R-F422R 0.610751911616634 F442R-V477R 0.609123424518762 I246Q-R264Q 0.606578831448196 G112Q-F475Q 0.605209012304983 T309P-I339P 0.604678836306074 G112R-F475R 0.598399442960095 I84Q-N113Q 0.592616397972402 A392Q-F422Q 0.591402599765464 T309Q-I339Q 0.590487360847998 G314R-W337R 0.59038705449503 A392P-F422P 0.589212019602963 G314P-W337P 0.589149021205275 Y228Q-L247Q 0.587551237863072 I84R-N113R 0.580937915036892 E394Q-F422Q 0.579821760523725 A392R-F422R 0.577155986940574 S226P-I246P 0.575540699755455 A340P-L358P 0.574783808627788 Y228R-L247R 0.570074926230001 I84P-V477P 0.565883581244428 I84Q-V477Q 0.56268645270468 S226R-I246R 0.561355046737089 V260P-L291P 0.557147188094632 F225R-L247R 0.554796909312082 I84R-V477R 0.554696551420319 A90Q-N244R 0.55429221875759 F225Q-L247Q 0.553420178101594 I84P-N113P 0.553312438154252 W446R-E472R 0.552673470471478 T248Q-M259Q 0.54936189342772 G314Q-W337Q 0.548826604768257 A340Q-L358Q 0.548610076658271 P424R-F442R 0.546271724708735 P424P-F442P 0.545976998703232 P424Q-F442Q 0.545688365929317 W446P-E472P 0.544412980873422 E394P-F422P 0.541988749285705 W446Q-E472Q 0.541697656895535 T309R-I339R 0.54133137017125 S226Q-I246Q 0.540205112680122 G106P-W374P 0.538474766762532 G109Q-N378Q 0.537212899153794 I440R-E480R 0.532419454981747 Y97P-I108P 0.53119091384246 F225P-L247P 0.526648134532545 G229Q-V83P 0.526440417775232 G109P-N378P 0.525523455282586 V83Q-G229R 0.524020839954445 V260R-L291R 0.523492976506711 Y399R-F417R 0.522990170901624 Y97Q-I108Q 0.522720087294858 F422Q-Y443Q 0.522388898652811 I108R-Y397R 0.522022847172183 I108Q-Y397Q 0.521213652413817 T248R-M259R 0.520609835522375 Y228P-L247P 0.517871372764272 T248P-M259P 0.517768709410777 Y97P-G105P 0.517193608467304 Y97Q-G105Q 0.516667512743585 I440P-V477P 0.51532727806201 N244Q-A90P 0.511185833552512 G106R-W374R 0.510401055207829 A79P-V119P 0.509945097952929 N250P-Q257P 0.509258060896197 I108P-Y397P 0.50728243460218 T421Q-Y443Q 0.507015470278223 I440P-E480P 0.50619391559348 Y399P-F417P 0.501340208185267 G109R-K419R 0.492792641238778 Y397Q-F417Q 0.491986719882457 V260Q-L291Q 0.488728363951703 W446Q-S474Q 0.488365691183327 N250R-Q257R 0.488308325119066 Q398P-F417P 0.487049534091 G106Q-W374Q 0.486923687098114 W446R-S474R 0.486074422972446 W446P-S474P 0.484513185707379 Q398R-F417R 0.483234664663534 M357R-T376R 0.477327898977398 G109Q-K419Q 0.470623264312699 Y399Q-F417Q 0.468953399284805 Y397P-F417P 0.466671377227559 G229P-V83R 0.466076430558795 I108R-N378R 0.457258641202396 L379P-Y393P 0.456394213910393 Y397Q-S416Q 0.452885974547888 I339R-A359R 0.4513679392303 G109R-N378R 0.450636288426914 G109P-K419P 0.450161583303844 V83R-V477R 0.448540088285781 Y397R-F417R 0.448439721948624 E394P-P424P 0.446145566876228 F422R-Y443R 0.443611364842461 L291Q-A310Q 0.441649255897536 V83P-V477P 0.43972421988422 L379Q-Y393Q 0.439176801254858 A79P-T117P 0.438201731232426 E394R-P424R 0.437425967802906 A79Q-T117Q 0.436876123979006 V83Q-V477Q 0.436731941983322 I440R-V477R 0.436408097996313 M249P-S261P 0.435954229871264 V83P-A115P 0.435037526156641 I108Q-K419Q 0.434816755875444 R338R-L358R 0.434586566778373 E394Q-P424Q 0.432682698295856 I108Q-N378Q 0.431826803879295 L358P-F377P 0.430001088459458 T336P-Q360P 0.42967518935913 A79R-T117R 0.428136360737359 T336R-Q360R 0.427607819875336 L379R-Y393R 0.424464229787077 L358Q-F377Q 0.424267261761132 L358R-F377R 0.423411766038439 T336Q-Q360Q 0.422929744592875 M357P-T376P 0.421110465513496 M249Q-S261Q 0.4179259083202 R338P-L358P 0.416651423778702 I108R-K419R 0.416100485272275 L263R-H289R 0.412689470916938 M249R-S261R 0.4125693843751 R338Q-L358Q 0.411306763494162 F442Q-F475Q 0.40810417009427 F442P-F475P 0.407259460073242 L311R-W337R 0.407169806178885 L311Q-W337Q 0.40599094140091 F442R-F475R 0.405776030640743 I108P-K419P 0.404744059265509 R80P-I440P 0.404561382967229 N250P-M258P 0.401639925168704 Y443P-S474P 0.401439014787877 T376P-S396P 0.401368485311032 L291R-A310R 0.401322458029458 T376R-S396R 0.400402083826826 T376Q-S396Q 0.400374737471101 A340R-M357R 0.397890229029837 N250R-M258R 0.397607670228798 H251P-S261P 0.393088846357489 K93P-E472P 0.392618490536144 Y443R-S474R 0.391581921266416 K93Q-E472Q 0.391490094980016 M357Q-T376Q 0.391101038052525 T421R-E472R 0.388341293403671 K419R-E472R 0.387049486010479 Q257P-L291P 0.387018088762883 L247P-R264P 0.386027025294192 Y443Q-S474Q 0.384988122978092 G77P-M121P 0.383886879499163 L311P-W337P 0.383765023184516 K419Q-E472Q 0.381777961197332 L291P-L312P 0.381345973845661 A107P-T376P 0.380722845632426 N250Q-M258Q 0.380249996773062 G82P-Q114P 0.380025712046591 K419P-E472P 0.378381720546596 T421P-E472P 0.377002653637252 A107R-T376R 0.375965081565262 L291P-A310P 0.375024091252192 I108P-N378P 0.373712490539937 T421Q-E472Q 0.37350084994393 G82R-Q114R 0.370706127449121 L312P-T336P 0.3702861100796 L111R-R441R 0.369730624364761 I339R-R361R 0.369408389864208 L312R-T336R 0.367494458051287 Q257R-L291R 0.367235127624448 P355Q-L379Q 0.36637734800612 L312Q-T336Q 0.366296262279791 A340P-M357P 0.365195184114683 V83P-Q114P 0.363253004745705 W446Q-G471Q 0.363069222855515 G82Q-Q114Q 0.362827947953662 L111Q-R441Q 0.36195126031348 V83Q-Q114Q 0.361300477688955 V83R-Q114R 0.361278421681236 L111P-R441P 0.361190191525237 A356P-F377P 0.360556253607519 P424R-Q478R 0.359461002994045 A107Q-T376Q 0.359372633832026 L311P-A340P 0.358329562510565 Y245P-G82R 0.357942957254935 P424P-Q478P 0.357942004639855 P424Q-Q478Q 0.356693994142095 Y228Q-V260Q 0.356532106640842 Y228R-V260R 0.356372405396941 Y228P-V260P 0.356133905492411 A96P-Q114P 0.355890238156169 A340P-A359P 0.3552210283688 L311Q-A340Q 0.354701782534749 L311R-A340R 0.354617674765925 Y245Q-G82P 0.354192201978653 S396R-F417R 0.353764770876624 G82Q-Y245R 0.352606153682407 A340Q-A359Q 0.352105236619036 A107R-A356R 0.351605413552819 Y78P-M121P 0.350880880135253 Y78Q-M121Q 0.350835910855523 A96Q-Q114Q 0.350769971045957 S396Q-F417Q 0.350594444686365 A107Q-A340Q 0.350336733873655 G77R-M121R 0.348329119236967 I108R-F377R 0.346975977251408 A107R-A340R 0.346195262110112 G262R-V288R 0.346131710656955 M259Q-L292Q 0.344820294475407 P355R-F377R 0.344602184788318 G112Q-E480Q 0.344146954994778 F422Q-S445Q 0.343653536894718 P355Q-F377Q 0.343177307595195 A354P-L381P 0.343139349634947 I339Q-R361Q 0.342947792338512 L247R-R264R 0.342634212618193 I108Q-F377Q 0.341044554070275 A107P-A356P 0.340819467802161 Y78R-M121R 0.339863848549039 S94Q-A115Q 0.339021115346549 I108Q-S396Q 0.338505609417746 L247Q-R264Q 0.337659895048771 G112R-E480R 0.337395713859652 Y342P-M357P 0.336892969671676 S396P-F417P 0.336661845864145 S81R-A115R 0.33652026971118 P355P-F377P 0.336303457709049 A356Q-F377Q 0.335561272152427 H251P-M259P 0.335290724671797 I108R-S396R 0.334233291511854 I108P-F377P 0.33381969469229 A354R-L381R 0.330070002416749 G395Q-A423Q 0.329117939458097 S226P-H251P 0.328800404995459 V260P-A290P 0.32871468497305 Y342Q-M357Q 0.327985527686226 A107Q-A356Q 0.327967602991474 G395R-A423R 0.326991404418387 F422R-S445R 0.326877848223331 G395P-A423P 0.326860971723592 I339P-R361P 0.32626443386917 Y342R-M357R 0.326056637320423 I339P-A359P 0.325175971052388 A356R-F377R 0.324661819494212 G262Q-V288Q 0.324630048199068 P424P-S445P 0.324490841122862 L111P-R380P 0.324166281106638 D87Q-F475Q 0.323441937426631 G112P-E480P 0.322076421148684 L111P-T421P 0.321282346518936 M258P-G293P 0.320786459485503 M258R-G293R 0.320146871389639 A115P-Q478P 0.317868235771153 G106P-A340P 0.317858284196227 T421R-Y443R 0.316991020020701 F422P-Y443P 0.316553583629739 F422P-S445P 0.315718542223705 P424R-S445R 0.314239172167625 I84R-G112R 0.313732771550537 I84P-G112P 0.312787693434623 L263Q-H289Q 0.312461949226737 A340Q-M357Q 0.311912439731477 I84Q-G112Q 0.311856081332093 V260Q-A290Q 0.311635645296224 F377Q-S396Q 0.310464771906395 N250Q-H289Q 0.309273452803724 D87R-F475R 0.30893788057098 M258Q-G293Q 0.308143611388639 A115R-Q478R 0.306592175482985 G112Q-Q478Q 0.306194398022057 L420Q-M447Q 0.306040939145188 S81P-A115P 0.305618515795043 W337P-Q360P 0.304914931787388 P424Q-S445Q 0.303633152065597 W337R-Q360R 0.303568962596252 W337Q-Q360Q 0.303092043639232 G109R-Y342R 0.302922094580206 I339Q-A359Q 0.301415184589723 F377R-S396R 0.300666080741417 L312R-A340R 0.300454439386527 A107P-A340P 0.299581003238087 G105R-A340R 0.299129852196065 M85Q-Q114Q 0.298354193172421 L420R-M447R 0.298276537717193 L111Q-T421Q 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