[Fri Aug 26 18:01:26 2016] >Input file: TMQ8BHY3S1D.pdb >TM segments: B496-523_B529-560_B583-607_B657-678_B760-782 MAIDEN score = -40.9266 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 ----------- ---------------- I516B-I545B 2.19169857735728 V503B-L509B 1.34102425095019 V530B-T541B 1.05999030620151 F601B-V778B 0.954081611224545 V607B-F781B 0.930763932617936 V503B-I560B 0.912282178997787 Y514B-T594B 0.91073078181757 S517B-I545B 0.76035474826941 F505B-V511B 0.730098772794262 I516B-N546B 0.724880510050746 I516B-V548B 0.722754056889485 F589B-T594B 0.718819972909539 V599B-K659B 0.699144891194694 I512B-L552B 0.690005108625604 V503B-L587B 0.674806082699912 I596B-M660B 0.674269557104517 T504B-L509B 0.666463584913602 A600B-M660B 0.657386023292668 L509B-Y557B 0.654464621678779 S529B-R535B 0.634315281209469 I513B-T594B 0.621802327260118 I516B-V549B 0.606827225719679 F606B-F781B 0.593537428820355 M500B-L586B 0.586191954065209 I513B-V549B 0.573015931466533 V503B-Y557B 0.570593234681099 I507B-R515B 0.565038226089997 Y557B-L587B 0.563115856004284 I664B-R671B 0.55994285875434 V503B-L586B 0.557821890833656 L509B-V556B 0.556465898122044 M500B-K583B 0.546822928682591 S529B-I534B 0.539104473926515 R531B-V536B 0.537741026903221 R531B-V543B 0.533736298156072 A600B-F781B 0.527325757569773 F597B-F602B 0.523491629867098 F601B-F781B 0.522810222406008 F601B-F606B 0.508431871047256 G510B-V590B 0.49726185452551 I664B-R670B 0.481938399310213 I513B-N591B 0.460349344496559 Y514B-Y598B 0.454277006250367 V599B-R605B 0.453046500392405 F505B-G510B 0.434934667186244 V599B-M660B 0.432395704103262 K668B-P674B 0.425529113751527 K662B-K668B 0.424571104685262 P595B-K659B 0.423712316961899 A502B-V508B 0.423027160036879 V503B-V590B 0.412503468190046 K661B-K668B 0.409766884182465 I596B-F663B 0.407160353654469 S517B-Y598B 0.407125929927991 S529B-T537B 0.400866108149883 I507B-I512B 0.381481724468363 A519B-I545B 0.380535848957949 K603B-P658B 0.377867616331122 A520B-I545B 0.377118754224044 A600B-A776B 0.376211015389057 R531B-I544B 0.375560692206282 T504B-T594B 0.374929216643157 C559B-K588B 0.36793798796927 Y593B-V778B 0.356981980571999 V503B-Y514B 0.356108339869978 A519B-A540B 0.351503247711156 P595B-P658B 0.349389640449871 D554B-C559B 0.3473043562017 S532B-A542B 0.34217700531213 S532B-A540B 0.338219905064679 A520B-A540B 0.337112324875665 V511B-Y593B 0.33631780626962 V530B-R535B 0.332703277185234 V503B-Y593B 0.327631313229925 A519B-K603B 0.324904847624183 A520B-K662B 0.322982215736721 A520B-A542B 0.321424879100196 K662B-R670B 0.321163246246829 G510B-G558B 0.314998580301411 G510B-E555B 0.311730982719872 T504B-L587B 0.311302949909421 S517B-A542B 0.311058962629765 T504B-L586B 0.309814906683496 K659B-R665B 0.307352087605851 P595B-K603B 0.305339648867174 F585B-I763B 0.304384539403762 A502B-I560B 0.299483857019975 I501B-A506B 0.299003363916443 G510B-S592B 0.298187021804517 G604B-S780B 0.296360264689529 I512B-V549B 0.291713308548394 I513B-P595B 0.291249723042217 Y666B-Q672B 0.290735410590579 S517B-P595B 0.290306524066139 L586B-G766B 0.287185665168691 I596B-F601B 0.285223380453507 R765B-L770B 0.28455360427881 V508B-V556B 0.283071380119603 R515B-N591B 0.281405932189212 G510B-S517B 0.276116997012643 A600B-T782B 0.276095033264024 L553B-N591B 0.274575613973518 T518B-T594B 0.272489727196412 N546B-P595B 0.272443089170416 I507B-C559B 0.268554285137149 R605B-V778B 0.268197259999713 L552B-Y557B 0.266890742149267 K659B-I664B 0.256826668100478 N546B-E555B 0.245601895331632 T504B-V590B 0.245383607805596 S532B-T541B 0.24115280186739 K603B-I657B 0.237251569456332 R535B-A542B 0.236176962371524 K661B-R670B 0.235081619155259 A521B-Y598B 0.233514970328888 I507B-V556B 0.233214526986127 A520B-R531B 0.232378537151484 G558B-N591B 0.231559130200214 S532B-V543B 0.230073741854858 K583B-W760B 0.229847537166934 L586B-T594B 0.228916395777979 T504B-P595B 0.228471448949346 T539B-I544B 0.225473410465712 L553B-P595B 0.222828201624206 G766B-I773B 0.219079395018588 Y666B-S675B 0.215866979545107 K588B-Y593B 0.207486822426855 L509B-V590B 0.20472024549609 V548B-L553B 0.203560266997394 V530B-I545B 0.202251578643988 R605B-F781B 0.201691789994666 T518B-N546B 0.199018356302067 R605B-M660B 0.198456853900467 S517B-A523B 0.197330774329806 N762B-K769B 0.195911550368877 R531B-N546B 0.191552148096248 V543B-V548B 0.191407805571343 C559B-L587B 0.190293661518429 I512B-L553B 0.190263208772608 V548B-Y557B 0.187387416920263 N591B-R671B 0.187169494860886 Y514B-S592B 0.186583763823018 F589B-N762B 0.185431681030022 I596B-K603B 0.183759149478994 Y514B-N546B 0.181981060920717 T518B-F602B 0.181647437162801 L764B-K769B 0.179837749810188 Y593B-F602B 0.179556810586026 K661B-Y666B 0.179191419548284 Y557B-S592B 0.176110724797702 F602B-K659B 0.175190434076537 I516B-A542B 0.17474176896292 L509B-I560B 0.174119637059909 M660B-S780B 0.173987895534066 A584B-I763B 0.173589336896311 S517B-Y593B 0.173012173458339 P595B-R665B 0.172122760219073 L522B-N546B 0.171234610364453 I596B-K659B 0.169865737584249 L522B-S529B 0.169597618019136 R665B-P674B 0.168331853162689 P595B-L667B 0.165758901827529 G604B-I657B 0.163648279688821 T518B-K659B 0.163122017458266 I534B-T539B 0.162658208800622 G604B-A776B 0.161636831452177 S592B-S675B 0.161316594564868 Y761B-K769B 0.160724994372199 I657B-T782B 0.160631447499495 F585B-V767B 0.159789016012628 I512B-N546B 0.159492541667238 A506B-R515B 0.15880685902721 K659B-L667B 0.158481297204101 G510B-T518B 0.158293904241034 Y598B-P658B 0.157677845346465 F597B-K659B 0.154312435109394 F663B-Q672B 0.154011153484222 R515B-K603B 0.153783160040434 C559B-L586B 0.152807079206982 L509B-K588B 0.151857649854032 I507B-T594B 0.151640312960164 F602B-S780B 0.149250523798144 S517B-L552B 0.148310260002938 T518B-T541B 0.145336545662594 I513B-E555B 0.144438143119769 S517B-V599B 0.14277726907297 G768B-I773B 0.141916999042545 Y598B-F777B 0.141724181482429 L522B-V530B 0.141137663521288 V508B-D554B 0.141016832690616 N546B-F663B 0.140807441231273 G604B-F781B 0.139985392195491 M500B-G510B 0.139508960315647 V511B-V599B 0.137713941870323 D554B-N591B 0.135980278503972 F499B-K583B 0.134543215321719 I512B-I560B 0.134529362190591 V538B-V548B 0.134430670070551 A502B-L509B 0.13434491780039 L586B-L770B 0.133558903116725 L552B-C559B 0.132785574905692 V772B-S780B 0.132784055742064 R515B-F602B 0.132766476744372 Y514B-L522B 0.13236348476489 S517B-F601B 0.132007535884595 S517B-A600B 0.131225931073098 A519B-Y598B 0.131204431469757 Y514B-A600B 0.131038940347314 I657B-K662B 0.13001674390275 N591B-Y598B 0.129851990318635 Y593B-Y598B 0.12945129673443 K661B-V778B 0.129343658915212 A584B-N762B 0.129285117098775 V503B-L553B 0.128813715306675 A523B-I544B 0.128666741642759 I596B-A771B 0.127977912147704 V508B-E555B 0.127661600878155 L553B-G558B 0.12554168942194 T518B-I596B 0.125356794846214 K603B-K661B 0.125018453870525 S517B-A540B 0.124891682016846 F601B-K659B 0.124306735937919 V556B-A584B 0.124105294792567 S592B-V599B 0.123310532177999 I657B-I779B 0.123268046032726 I534B-A542B 0.123037342728436 V548B-D554B 0.122894413851094 M500B-F585B 0.12286357368111 G558B-L586B 0.122298121437961 F585B-R765B 0.121563328795575 I507B-Y557B 0.121535250499765 K769B-I774B 0.121451953608092 I516B-A523B 0.121401852703579 S592B-M660B 0.121381429917936 I501B-T594B 0.121371629588733 G604B-K661B 0.120658268281525 F601B-A776B 0.120133845287755 A542B-V549B 0.119276312032705 S496B-A506B 0.118749304993204 S592B-I664B 0.118504238701342 A502B-K588B 0.117363740369013 P658B-Y666B 0.117345072281936 A600B-I664B 0.116842603159329 A506B-V511B 0.116414597097723 A600B-V778B 0.116236591152916 L522B-K603B 0.115838183530133 A519B-S529B 0.114991469311844 S496B-A584B 0.114656087861896 M660B-N775B 0.114171145714784 V503B-S592B 0.113947600503524 A519B-L547B 0.113352306885024 V503B-T594B 0.112714857618506 A521B-N546B 0.112055709427611 Y593B-A771B 0.111744009705294 I512B-Y593B 0.111716236258612 I551B-G558B 0.111588305258953 L553B-S592B 0.111586769937976 G510B-K588B 0.111577445422511 T539B-L547B 0.111481193690333 F505B-R515B 0.111407996409891 I501B-I560B 0.110727341494962 T541B-V548B 0.110403469586891 G510B-I551B 0.10979069195798 F597B-F663B 0.109609960061461 Q672B-E678B 0.109564211215444 K662B-L667B 0.109523518773597 R605B-I657B 0.109206778932827 V549B-G558B 0.108639250637828 I497B-A584B 0.108152359984844 K588B-W760B 0.107880802471356 I545B-I550B 0.106572942093782 A502B-G558B 0.106553485574891 I516B-I544B 0.106280721659439 S517B-K662B 0.106156263152809 R515B-I545B 0.105646698711811 V508B-L587B 0.10415431629584 G558B-K588B 0.103601410881141 G768B-A776B 0.103494716297745 F589B-G768B 0.102923401458019 L547B-D554B 0.102809948984334 A520B-S532B 0.102454132144377 I507B-I560B 0.101878753468527 V503B-I513B 0.10187417085903 G510B-I550B 0.101187270921485 L553B-L586B 0.100927085238011 R515B-T594B 0.0997784177552921 A520B-L547B 0.099643932460963 S517B-I544B 0.0994702388285353 N546B-N591B 0.0991671468676375 A521B-F597B 0.0985538677533038 A600B-A771B 0.0984021452949531 G510B-I596B 0.0979777218200342 L552B-V590B 0.0971856573654168 A506B-N591B 0.0964665411678558 N533B-N546B 0.095945811835618 F589B-F597B 0.0940512205857145 G558B-K583B 0.0937867342706011 A506B-P595B 0.0936630660847029 I513B-V548B 0.0933638940595864 G604B-I779B 0.0932569964907621 A540B-V548B 0.0921338860283555 A523B-V543B 0.0920281036791417 L586B-N591B 0.0919700629116829 T518B-V548B 0.0915930550063715 Y557B-F585B 0.0913525786811369 A502B-A584B 0.090975918134971 I664B-L669B 0.0909684306309217 T504B-F585B 0.0906886551225945 N546B-R670B 0.0903267478320884 A520B-I596B 0.0902810642038663 Y598B-F663B 0.090228117946602 K668B-D676B 0.0901757124715301 I516B-V599B 0.090073174016534 A520B-G604B 0.0900177216133953 V543B-I551B 0.0899114682978739 A600B-V772B 0.0895590397201991 I512B-A519B 0.0895338027736283 L586B-F597B 0.0893444733216335 A502B-V590B 0.0892122071290378 V549B-S592B 0.0888790536958792 A542B-V548B 0.0881775197046474 A502B-C559B 0.0879472964392127 T594B-M660B 0.0878417700200776 R765B-V772B 0.0873281269543797 T594B-I774B 0.0872229028659767 V511B-L553B 0.087125337282818 I512B-G558B 0.0865964795909697 L586B-L764B 0.086219724065935 R665B-S673B 0.0859409723565276 K588B-L764B 0.0859336825404506 K769B-N775B 0.0858212553057864 F585B-T594B 0.0856077236951389 I512B-L586B 0.085094650414669 S517B-T541B 0.0850633594338313 F499B-L586B 0.0844055250334379 I664B-I779B 0.0842597078913996 G510B-R515B 0.083961466442088 R531B-T537B 0.0838501798990974 I551B-I560B 0.0836683861948264 I497B-I560B 0.083487884118377 A520B-V549B 0.0825283287776686 A521B-V543B 0.0822674865250645 R531B-L547B 0.0821213416465734 L667B-Q672B 0.0817944527107617 A506B-F597B 0.0813421883770866 G510B-A519B 0.081088447952339 L764B-I773B 0.0807855335215657 K603B-M660B 0.0802649344469675 V549B-Y593B 0.079988322669851 V511B-L587B 0.0795520809688846 V549B-Y557B 0.0791143375629317 W760B-G768B 0.0790479019984627 I501B-I513B 0.0790323152152652 T518B-F597B 0.0785591586774546 W760B-K769B 0.0783630028087394 I513B-I544B 0.078348643713757 V556B-N591B 0.0782954328901522 V556B-L586B 0.0778883491884785 A519B-P595B 0.0777041023349172 A520B-I657B 0.0776952042118301 A521B-V549B 0.0771784433494442 I507B-L553B 0.0770207789946316 V767B-N775B 0.0769663889601588 S592B-V767B 0.0768962320654105 L509B-E555B 0.0767969838364209 Y598B-I664B 0.0764242923437131 A523B-A540B 0.0756179714162921 Y593B-F777B 0.0744341087006717 S592B-Y598B 0.0744272828403174 S592B-R671B 0.0743863294470478 L586B-P595B 0.0740195151355573 V503B-L552B 0.0739612587288345 T518B-I544B 0.0739496300683022 A600B-I657B 0.0737354412355602 V511B-N591B 0.0736143209690503 S592B-K668B 0.0732383836603669 R535B-V543B 0.0728499945979089 Y514B-V556B 0.0726973731866787 A600B-K662B 0.0724453745597096 F499B-I560B 0.0719030358698696 A584B-G766B 0.0717963439505844 T539B-V548B 0.0717332252325824 A521B-K662B 0.0712263546790926 V590B-Y598B 0.0707814577329984 V548B-N591B 0.0705824751795613 F602B-N775B 0.0704920322413427 L553B-A584B 0.0701299101998378 V503B-V556B 0.0700567073534337 V511B-Y598B 0.0695210272556395 T504B-E555B 0.0693279246587508 T504B-V556B 0.0689652266797184 I501B-Y557B 0.0679098829830926 D554B-V590B 0.0678911091161876 T504B-L553B 0.0675193397027811 I513B-K588B 0.0670724057796699 V511B-C559B 0.0666193764853302 A520B-P658B 0.0656603229101158 R671B-R677B 0.0656138729116347 Y598B-V778B 0.065166344060466 V530B-N546B 0.0646124518971023 I507B-L552B 0.0644323527727471 F597B-A776B 0.0643814904004911 A600B-I774B 0.0643191532694072 I560B-F589B 0.0643021704248683 I516B-F597B 0.0638437813750412 V599B-I779B 0.0637153685181193 M500B-V508B 0.063459619021442 G510B-N546B 0.0631897367292961 V511B-I550B 0.0627776647058118 R665B-R671B 0.0620043811865208 I497B-L587B 0.0616308212808754 F597B-I657B 0.0616185040339977 T594B-K659B 0.0615794015627229 L553B-T594B 0.0615266333599811 I513B-V599B 0.0614285856387111 N591B-F663B 0.0611315718991587 A521B-M660B 0.0606144182745418 A584B-S592B 0.0601947873148871 I513B-L522B 0.0601432325032425 G766B-I774B 0.0599441110692289 A520B-Y598B 0.0599148675520689 M500B-N591B 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