[Mon Aug 29 16:54:11 2016] >Input file: TMQ8N8F6M1G.pdb >TM segments: 73-116 MAIDEN score = -3.5125 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 ----------- ---------------- S74 -M80 1.77657461239793 A73 -M80 0.683377397253698 F75 -M80 0.592230188414844 S74 -S83 0.535734462975194 Q92 -Y105 0.472502861765939 A94 -Y99 0.466933906688218 S74 -L81 0.449096583541861 P77 -E112 0.444916958857122 S95 -P104 0.323094018851236 Q92 -Y99 0.321690193743795 Y86 -P93 0.302215106052611 G88 -S95 0.289706513149105 G88 -D107 0.26842270787955 P93 -Y105 0.266943796722888 S74 -G85 0.259846252697417 L81 -P113 0.249337275988145 G85 -Q92 0.243986877166532 S74 -Y86 0.242121359146442 M82 -Q89 0.222247770021822 E79 -A87 0.195085003251885 A94 -Y100 0.192569015734615 P93 -P104 0.184036480096306 S95 -Y105 0.179802065985597 M80 -G88 0.178309461368806 G85 -A94 0.163612293436004 V76 -S84 0.157139147001717 S74 -A87 0.155842422687607 S97 -Y105 0.149451820456801 P77 -Y86 0.133426807218275 L81 -G88 0.131241022230597 G88 -Y100 0.125009158969402 S84 -D107 0.124269397231761 A87 -P93 0.120272742092294 P93 -S101 0.117931025068136 A73 -A87 0.113267149716684 A73 -Y86 0.109268011391369 A94 -I106 0.107983669754782 F91 -S101 0.105189789988902 F91 -D107 0.103750484519312 E79 -S84 0.0995803626143621 S74 -P113 0.0973428808531853 D98 -P104 0.0930990234646409 L81 -Q89 0.0888764455333551 S84 -Q92 0.0873313508943063 F90 -Y99 0.0827216839663443 A87 -D107 0.0824992432546559 G88 -Y105 0.0806190366659898 S84 -P113 0.0775672535074534 Q92 -S101 0.0770191637676167 M82 -E112 0.0746566000937114 L81 -P114 0.0745059303287962 F90 -D98 0.0681875981007019 Y100 -Y105 0.0656270893181199 V76 -G85 0.0582182519651111 A94 -P104 0.0562278739093154 F90 -I106 0.0552993126342331 G85 -S108 0.0536925099719952 Q92 -D98 0.052199311667912 Q89 -A94 0.0510203999407679 L81 -E111 0.0485616739700037 M82 -F90 0.0485144812931002 V76 -P113 0.0470572687682909 G85 -D107 0.0390120003774612 M80 -P113 0.0374762572811796 A94 -Q102 0.0372583686919092 G88 -S108 0.0362123798224684 Y100 -I106 0.0361849782874168 A73 -S78 0.0315112687265193 S78 -Y86 0.0298061907883027 S97 -P104 0.02977902720564 N96 -Y105 0.0285681591051499 L81 -E112 0.0269045385101809 F90 -P104 0.0252361481594563 A73 -G85 0.0237167913598815 M80 -F109 0.0234358732310911 Q92 -S103 0.0211823831790779 S84 -E112 0.0198583320535368 A87 -S95 0.018852074537735 N96 -S103 0.0181305281107744 A87 -A94 0.0181216569047007 A73 -P113 0.0181120491467048 P77 -F109 0.0163007849726018 A94 -D107 0.015955719847242 A73 -M82 0.0153908654254158 F91 -S103 0.0144199558770173 S84 -F91 0.0137740422222439 F75 -S83 0.0133217440573827 S84 -D110 0.0130959695948599 F90 -Y105 0.0128879941245312 G88 -I106 0.0125471066607985 V76 -L115 0.0120840846068533 S83 -F90 0.0115178123345594 M82 -F109 0.00247507562071814 F91 -S97 -0.000123753679815763 A73 -S83 -0.0035602332946234 Y99 -Y105 -0.00658822566090222 L81 -Y86 -0.00849350822970241 S78 -P114 -0.0120610647822641 Q89 -S97 -0.0148992972079465 F91 -I106 -0.0181234975537334 S84 -E111 -0.0205398545826958 S78 -E111 -0.0208336825688993 N96 -Q102 -0.0229704710338625 V76 -L81 -0.0298435530761019 V76 -M82 -0.0310028895861296 F90 -N96 -0.0314715124994045 S101 -I106 -0.0325081749944287 P77 -G85 -0.0332335088966993 M82 -P113 -0.0333918849621342 S95 -I106 -0.0343073167135208 A87 -I106 -0.0345836313189078 S74 -G88 -0.0346028830113001 S84 -Q89 -0.0360790692609458 A87 -Y105 -0.0364419404838927 G85 -F109 -0.0382496056606429 S78 -F109 -0.0387866994090149 D98 -S103 -0.0388854740785334 F91 -S108 -0.0390732358873191 S97 -Q102 -0.0399848878466031 P77 -L115 -0.0407080129926403 F91 -N96 -0.0447147218560899 F91 -P104 -0.0454465815799785 G88 -S97 -0.0463030832316216 V76 -Y86 -0.0485939848116752 S83 -F91 -0.0515045257578799 Q92 -D107 -0.0547529334390831 S84 -S108 -0.0573084404163913 I106 -E111 -0.0604097587220176 F90 -Y100 -0.0604566405118971 S78 -E112 -0.0611446778384321 F90 -D107 -0.0611786741741998 Y86 -Q92 -0.0647856354933607 Q92 -P104 -0.0648207067044604 G85 -P93 -0.0650159771257752 Y99 -I106 -0.0683854865793685 S78 -L115 -0.0686563790739179 Q89 -N96 -0.0690477971884018 S95 -S103 -0.070826170244366 Q89 -Y100 -0.0710987195002772 Q89 -S95 -0.071301694889667 E79 -G88 -0.0728344478984082 Q89 -Y105 -0.0734611464654005 F91 -Y99 -0.0765833446802953 S78 -A87 -0.0787829513681091 F90 -S103 -0.0803049457000576 S84 -F109 -0.0806428659395624 L81 -S108 -0.0813949199278534 E111 -L116 -0.0824407008552788 L81 -D107 -0.0853003246242389 L81 -D110 -0.0863551881455507 F90 -S97 -0.0867064119353833 S83 -Q89 -0.0870240770281612 Q89 -D107 -0.0879949509363216 L81 -F109 -0.0918471932624747 P77 -P113 -0.0921409866894276 A94 -Y105 -0.0970918882826948 F75 -Y86 -0.099532833705025 F75 -G85 -0.102604288155411 L81 -A87 -0.103495856321919 Y86 -A94 -0.105320035496514 F91 -Q102 -0.107179173971278 Y100 -D107 -0.111121527892593 P93 -Q102 -0.111282942816243 G85 -I106 -0.112389306723756 P77 -S84 -0.116358118132511 F75 -S84 -0.117120841472763 S74 -M82 -0.127278881556613 A87 -S108 -0.127443218718415 G88 -F109 -0.127998984388698 S84 -F90 -0.128039106661066 D107 -E112 -0.129621804272204 E79 -G85 -0.133253359141286 G85 -F90 -0.133896591583357 S83 -G88 -0.134270248314697 N96 -P104 -0.135028172001844 F109 -P114 -0.139322633472724 M80 -Y86 -0.139769797049238 S74 -E79 -0.140845433296398 S78 -G85 -0.148303049727181 S108 -P113 -0.149030776075764 S95 -Q102 -0.151616397523773 S97 -S103 -0.152386488358086 P93 -Y99 -0.152480015042329 D110 -L115 -0.153519272960608 G85 -F91 -0.158792526035473 S78 -S84 -0.159096069323303 P93 -S103 -0.160926138808197 F91 -D98 -0.163127444418271 G88 -P93 -0.164847518311768 S95 -Y100 -0.166195820334825 A73 -L81 -0.167090338070429 Q92 -S97 -0.168416214857568 Y86 -F91 -0.173555836573418 A73 -E79 -0.173783484904265 A87 -F109 -0.174891665867277 E79 -Y86 -0.174973221937904 F91 -Y105 -0.176206793457327 S78 -S83 -0.176694103886803 F75 -L81 -0.17892686635442 P93 -Y100 -0.179147175410532 F91 -Y100 -0.179274223148253 Y86 -D107 -0.182559941321133 M82 -G88 -0.18678418947753 G88 -N96 -0.191702841958097 A87 -Q92 -0.19224961767116 Y99 -P104 -0.196530066911531 A94 -S103 -0.198102593624501 M80 -E112 -0.19835351311673 P77 -S83 -0.214849586649406 M82 -A87 -0.218609621376959 P77 -M82 -0.221346668018454 P77 -P114 -0.225414719811858 D98 -Y105 -0.227713204263448 A94 -S101 -0.227721942602469 A73 -S84 -0.227755325009262 M80 -A87 -0.230189132411577 Q92 -Y100 -0.230383172070925 S78 -P113 -0.235018379930358 F90 -S95 -0.250691764584417 M80 -G85 -0.25520783791526 G88 -A94 -0.264916434614812 F75 -M82 -0.293590965975819 N96 -S101 -0.316441880200121 S74 -S84 -0.338780549008835 E79 -P113 -0.3480849790953 V76 -S83 -0.349445674054893 P77 -E111 -0.369097657661418 P93 -D98 -0.407419793168496 S95 -S101 -0.501032749789109