[Fri Aug 26 16:41:14 2016] >Input file: TMQ8N394S2D.pdb >TM segments: A512-558 MAIDEN score = -11.5385 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 ----------- ---------------- L537A-R542A 1.38988420369093 E513A-L537A 0.894478666050776 L537A-F543A 0.669436065374128 L530A-L552A 0.659576165428799 A512A-L536A 0.638542373660498 Y516A-L533A 0.526919992018601 L520A-M529A 0.504984150085603 D528A-A553A 0.490555437051222 M526A-A553A 0.486052180186411 A527A-I554A 0.465410156562922 R517A-L533A 0.43543690592366 Y531A-L552A 0.431854031082736 L533A-Y549A 0.407670269600066 M526A-S556A 0.406131771924667 A527A-L552A 0.384192187436893 L535A-Y550A 0.37852214624356 R517A-L530A 0.376656786606811 G534A-Y549A 0.376191636708922 L530A-Y550A 0.371216155658798 R542A-L547A 0.361437032295405 L535A-A546A 0.35566432383758 L536A-A546A 0.355197180330546 L552A-R557A 0.351696405301468 L533A-A546A 0.347466647300366 Y516A-L530A 0.343551450504344 A519A-S524A 0.341643296735732 Y516A-M529A 0.322972753008095 E545A-K551A 0.3181507310346 A512A-L533A 0.31096157153671 S524A-L530A 0.310037462279903 Y516A-N532A 0.30741046323124 Y549A-P558A 0.29978941383452 D528A-L533A 0.299081375722984 E513A-L535A 0.297154879976398 L536A-R542A 0.294569306893461 L537A-A546A 0.288088391045282 L533A-E545A 0.27881131308898 L520A-M526A 0.277802270763222 Y531A-K551A 0.27736430954675 L520A-N525A 0.26435988291527 K551A-R557A 0.258280427434693 L520A-L530A 0.256976380703565 L533A-Y550A 0.256828286518932 M529A-R557A 0.248176679033849 R517A-N525A 0.247309720125641 N532A-Q538A 0.246244092904467 R517A-Y522A 0.242732603287014 A553A-P558A 0.237322460331427 L530A-A553A 0.233783005585736 R517A-M526A 0.230185035432236 N518A-M526A 0.228828647717195 L530A-P558A 0.227588832030046 L530A-K551A 0.224577542521122 S514A-S524A 0.220875714760296 G534A-I554A 0.219253691566662 L530A-S556A 0.214335880363461 G534A-L547A 0.208959304350118 N525A-Y549A 0.207007447413725 Y549A-S556A 0.206143141048715 Q538A-L547A 0.196959103003168 Y516A-N525A 0.190642896404978 S514A-L533A 0.188760468329477 N532A-F543A 0.184381768188318 L537A-A544A 0.18343572798809 E513A-Q538A 0.181835931403932 Y531A-E539A 0.177888667102649 N540A-L547A 0.175488425488807 H548A-G555A 0.174095132184081 S524A-K551A 0.171596593552928 S524A-Y549A 0.17011564258534 M529A-A553A 0.167539232288664 F543A-K551A 0.165955980264626 S514A-Y522A 0.165885283872582 G534A-H548A 0.161934114783376 N532A-K551A 0.160202797867965 Y516A-Y522A 0.160103916674183 E513A-Y521A 0.159532503239503 M529A-G555A 0.154101892801251 N518A-D528A 0.151641336884728 E513A-R523A 0.149337376377638 Y531A-F543A 0.147649896074938 Y516A-Y531A 0.145130727571373 E539A-A546A 0.144515334191303 D528A-P558A 0.144006279676004 S514A-E545A 0.138190587149054 S514A-N532A 0.13658084601697 L533A-S541A 0.134427917984123 A519A-D528A 0.133316663954812 Y549A-R557A 0.133060009943449 Y521A-Y549A 0.132103844738653 R523A-D528A 0.131949045806527 A512A-A546A 0.131527818201308 A519A-Y531A 0.130638067733477 Y516A-Y550A 0.127929286702251 L536A-E545A 0.127746672769332 N525A-S556A 0.126878064690882 E545A-Y550A 0.126525493406091 A515A-R523A 0.125803127745913 A515A-Y522A 0.125789502878138 Y531A-I554A 0.125627669561983 A527A-H548A 0.125062338680892 Y516A-Y521A 0.124632423942351 R542A-Y550A 0.120937121605323 D528A-G534A 0.117851894852122 A546A-G555A 0.116713991278253 N518A-N525A 0.116402565004839 N518A-N532A 0.116314941973821 M526A-H548A 0.115759192714846 N525A-N532A 0.114235938695834 A519A-A527A 0.111769325978697 L535A-N540A 0.111480657063512 E513A-H548A 0.110513379906211 L520A-L552A 0.110278573978243 S524A-Y531A 0.109660388810325 L535A-A553A 0.108804347056412 N532A-L537A 0.107149513029996 S541A-L547A 0.10681290822842 E539A-H548A 0.106462475340651 A515A-G534A 0.106417627360907 N525A-Y531A 0.105414161276996 K551A-P558A 0.104180584402962 E539A-Y550A 0.102354344945042 N525A-L533A 0.101371352926398 S524A-L533A 0.0975433429109451 S514A-L530A 0.0949991331737525 M526A-G534A 0.0947291017963936 A519A-M529A 0.0942735378049235 Y516A-A546A 0.0924946434016527 L520A-L535A 0.0918106657369941 L520A-Y531A 0.0913925393786679 G534A-E545A 0.0909373692256668 A512A-M529A 0.0900757469014639 Y516A-L537A 0.0896461592786673 M526A-P558A 0.0888288843831233 L520A-Y549A 0.0880301713430303 L535A-E545A 0.0854245542725561 Y531A-E545A 0.0849215641324528 A515A-L537A 0.0825369825520332 Y521A-L530A 0.082318084251205 R517A-L552A 0.0818192830335254 M529A-A546A 0.0814884506474265 G534A-S556A 0.080263654607003 R523A-L533A 0.0785120031625293 A512A-Y531A 0.0783873918370457 S541A-H548A 0.0769482034523371 R517A-A546A 0.0768603477589975 L533A-Q538A 0.0762994447666459 A515A-S524A 0.0752765594221654 L535A-A544A 0.0749217549262218 L535A-H548A 0.0745825449927402 Q538A-A544A 0.0735106162290204 S514A-L537A 0.0727082247249231 Y522A-L530A 0.0704147226344602 A519A-N532A 0.0694709799019892 Q538A-A546A 0.0693283407636005 E513A-Y531A 0.0683697395363959 N532A-Y550A 0.0682179023521789 E513A-Y549A 0.0679341862659519 A527A-L547A 0.0663296229610081 H548A-S556A 0.0656671323981335 L536A-L552A 0.0656086353453667 R517A-A527A 0.0655136947759045 L530A-Q538A 0.0633599453794682 E539A-Y549A 0.0624926903829541 N532A-G555A 0.0624059826398718 R517A-R523A 0.0614409668814953 N525A-G534A 0.0612217487756829 A544A-A553A 0.060904748500775 L535A-I554A 0.0577261998823979 N518A-Y531A 0.0562497202290813 Y516A-A553A 0.0557192320309525 S514A-G534A 0.0554908470273046 N532A-Y549A 0.0552366124376231 A527A-A546A 0.053855701336107 Y521A-N532A 0.0534113076005067 D528A-Y550A 0.0522048366460783 M529A-I554A 0.0518935409355139 L547A-P558A 0.0515069257471064 A512A-Q538A 0.049937204691155 D528A-L536A 0.0495494126544105 R523A-L552A 0.0492594584442099 N532A-I554A 0.0490381160367788 A515A-L535A 0.0490058887037983 N532A-R542A 0.0481147734564802 M529A-L537A 0.0475403955116627 N532A-N540A 0.0467525093352035 L537A-K551A 0.0465136778030528 N525A-L530A 0.0453833018760026 L533A-E539A 0.0438531850723116 S514A-Q538A 0.0427626571220352 M529A-E545A 0.0422303181953638 L536A-H548A 0.0419958437978066 N518A-Y549A 0.041960377276208 R523A-A553A 0.0419093175229106 A546A-A553A 0.0410230981891253 L535A-L547A 0.0395942372222331 S514A-L535A 0.0393594049849586 N540A-Y550A 0.0390657832967127 R517A-Y549A 0.0367306400873931 N532A-R557A 0.0348487384097296 L533A-R542A 0.0345581009193543 S524A-G555A 0.0340051599130075 A544A-L552A 0.0329122270340088 E513A-M529A 0.0320136926378978 N525A-G555A 0.0312827349503935 L536A-A553A 0.0312023201594629 Q538A-K551A 0.0305340230376041 N525A-I554A 0.0276097693161512 L536A-A544A 0.0256804025313535 L520A-L533A 0.0233471259188365 R517A-L535A 0.023275699504727 H548A-R557A 0.0229516345137591 Y516A-A527A 0.0228152801956925 S524A-H548A 0.0222354812403287 A515A-N532A 0.0216713238605362 L535A-K551A 0.0192876483966291 S514A-N540A 0.0169204897634377 L535A-F543A 0.0164860372417142 L535A-Y549A 0.015706732462502 N525A-Y550A 0.015091062741281 S524A-N532A 0.0142874573805146 L530A-I554A 0.0136370353511257 S524A-G534A 0.013608177580799 L530A-E545A 0.0110833184461088 A527A-K551A 0.0109533221873317 N518A-G534A 0.0102871959915998 G534A-G555A 0.0095176667443452 E513A-S524A 0.00912027096238699 E513A-R542A 0.00841158754873916 E545A-L552A 0.00761622662427186 E539A-A544A 0.00745208043677259 D528A-Q538A 0.00326854191040971 A519A-A553A 0.00287108302412253 A515A-L536A 0.00218132587328057 A512A-R517A 0.00191924203089111 N532A-S541A 0.000672599236546167 R523A-Y549A 0.000621572520244418 L520A-G534A -0.00210735228315784 L533A-G555A -0.00225759663054781 S524A-I554A -0.00336386529909483 L533A-I554A -0.00410469026294535 L520A-A553A -0.00564398005994526 L547A-G555A -0.00653282900754193 D528A-G555A -0.00765852536052292 L533A-A544A -0.0081891538060308 A546A-K551A -0.00830900715468452 A515A-L533A -0.00862152044650299 S514A-E539A -0.00990751110141314 Y516A-H548A -0.0108166580688671 Y516A-L535A -0.010970643557755 L535A-L552A -0.0112021785746581 E539A-L547A -0.0115023404425478 A512A-G534A -0.0125339145426331 R517A-L537A -0.0125962241645796 A527A-A553A -0.0128447200453965 D528A-A546A -0.0143347201493311 A515A-M526A -0.0159035961412721 S514A-M529A -0.0161877833086708 Y531A-N540A -0.0174823882124024 M526A-L533A -0.0180333021369314 S524A-Y550A -0.0199306791554292 D528A-K551A -0.0242885007124456 G534A-L552A -0.024974248424444 E545A-A553A -0.0269927084700559 A527A-G534A -0.029090638809528 E513A-A544A -0.0297847167390733 L536A-L547A -0.0308313548802541 N532A-L547A -0.032638703779615 N532A-S556A -0.0328583458947183 Y521A-Y531A -0.0335202320104173 A512A-E545A -0.0335732858970204 R542A-Y549A -0.0340698971893207 R517A-L536A -0.0346103817500252 R523A-N532A -0.0349102347552379 Y516A-N540A -0.036182476890914 A515A-Y549A -0.0367081940789751 M529A-L547A -0.0376198024759828 N518A-L530A -0.0408125904753039 R517A-E545A -0.0412741254641915 Y522A-M529A -0.0424213661019096 Y521A-M526A -0.0425408411737776 Y521A-L533A -0.042680546712778 Y550A-G555A -0.0435062432683697 N540A-Y549A -0.0437065034509567 L537A-L552A -0.0442340914886117 M526A-Y549A -0.0444407236291846 A512A-N540A -0.0449262894673154 S524A-M529A -0.0451627795644489 N532A-L552A -0.0485913810913172 S524A-S556A -0.048688573800173 L536A-F543A -0.0496348270089904 A519A-N525A -0.0499614365846921 L520A-K551A -0.050342855684834 L530A-R542A -0.0515203401586284 E513A-N540A -0.0518797537799527 R517A-D528A -0.0519736864759965 A512A-L537A -0.0528523271189316 L547A-R557A -0.0539248132419807 A515A-Y531A -0.0543767898657315 N532A-E545A -0.0547213253283634 A515A-N540A -0.0566281729867999 E545A-I554A -0.056763498094428 A515A-L530A -0.0576542966677041 Y531A-L537A -0.0576806595481825 Y531A-Y549A -0.0585665937348887 L530A-L537A -0.0598729567419003 Y516A-Q538A -0.0604273778088333 A519A-G534A -0.0608264285867874 Y531A-R542A -0.0614736480804816 A527A-L536A -0.064078924348431 S514A-Y531A -0.0645282097981939 Y521A-A527A -0.0647686692992795 S541A-Y550A -0.0652341774935471 S514A-A546A -0.0667312594478648 S524A-R557A -0.0670208003344925 L547A-S556A -0.0670954434307376 N532A-A544A -0.0673876591544063 L537A-Y550A -0.0675229911985011 G534A-R542A -0.0679876092251714 Y516A-M526A -0.0683636384853186 E513A-F543A -0.0704345739196626 A527A-L535A -0.0721261952081194 E513A-Y550A -0.0740384259685132 L530A-H548A -0.074388365807838 E513A-L520A -0.0754011440400175 Y521A-M529A -0.0768050077758844 Y521A-A553A -0.0791800655731423 G534A-S541A -0.0791972495283471 R523A-S556A -0.0792814934892561 Y516A-L536A -0.0800864201226275 R517A-Y550A -0.0807360286046845 Y522A-L533A -0.0813087973528877 R523A-Y531A -0.0824166858825837 L520A-S556A -0.0825028402784271 M529A-P558A -0.0838871905920913 A544A-Y550A -0.0852079839854572 A546A-I554A -0.0864001525647309 S514A-R523A -0.0891285047638253 Y531A-A544A -0.0901946016260555 N525A-K551A -0.0902958718377938 M526A-L535A -0.0920401017736612 Y549A-G555A -0.093441244721971 Q538A-L552A -0.0939242679043835 Y550A-R557A -0.0960186530330186 L530A-G555A -0.0971779397082562 Q538A-A553A -0.0976738181535248 A512A-N518A -0.0982923796683233 Y516A-E545A -0.0991114421958663 Y516A-R523A -0.100737664454636 Y531A-R557A -0.100738433769913 D528A-S556A -0.10123097640957 A512A-L520A -0.101578629225511 D528A-R557A -0.102878952400937 E513A-Y522A -0.103148315842194 R517A-M529A -0.103173477600534 A512A-L530A -0.103174976810141 E513A-N532A -0.103385919870164 Y516A-E539A -0.103878429057847 A519A-Y549A -0.104888269161592 N525A-P558A -0.105752691140394 E513A-L530A -0.105775201569374 M529A-Y549A -0.105951112380443 M529A-S556A -0.106587293769628 L520A-N532A -0.106744486581341 R517A-S524A -0.10726379661986 A512A-Y521A -0.107462104036833 Y522A-A527A -0.108001857310546 L533A-F543A -0.108736781355422 E513A-S541A -0.108779631317019 A512A-Y549A -0.108903228997566 A527A-P558A -0.110640084832427 S514A-R542A -0.110895850563586 L537A-A553A -0.112165263494928 M526A-G555A -0.112549768121705 Y531A-P558A -0.113091707126166 N518A-L536A -0.113421256464223 F543A-L552A -0.113643611633282 M526A-N532A -0.113978354664325 E513A-L536A -0.115224847690133 L520A-H548A -0.115780411699938 L536A-Y550A -0.116262523755225 N532A-H548A -0.116485802525899 N525A-L552A -0.116605690572248 A512A-S541A -0.11939860541953 A512A-D528A -0.122410501227336 G534A-N540A -0.124569804492138 M529A-Q538A -0.126051089393885 M526A-Y550A -0.12695861554162 A527A-G555A -0.128669895945555 L530A-F543A -0.129138756114475 E513A-D528A -0.130108802509288 N518A-L533A -0.132204153265942 A515A-D528A -0.132206706290421 M526A-R557A -0.134605756403987 R517A-A553A -0.135146436656446 Y516A-S524A -0.138121755749506 N518A-M529A -0.138736870221149 E513A-A519A -0.139778171598528 L530A-A546A -0.140431652459259 A515A-Y521A -0.140657680040089 Y531A-G555A -0.140971572557266 R523A-M529A -0.141124402620241 A512A-A519A -0.141584584807679 L535A-R542A -0.142263866423361 Y516A-D528A -0.143712667344224 D528A-H548A -0.143998045120261 L537A-E545A -0.14447672804859 S541A-Y549A -0.144693093664644 Y550A-P558A -0.14558697074443 L533A-N540A -0.147215268477136 G534A-R557A -0.148225167491761 R517A-G534A -0.14913570838139 R517A-Y531A -0.150057618534474 S514A-Y549A -0.152261020408237 M529A-K551A -0.152444765999915 R517A-H548A -0.152676200416834 Q538A-F543A -0.15379488807379 Y549A-I554A -0.154372903620875 L533A-H548A -0.154607636027635 E539A-E545A -0.155610228349114 L520A-L536A -0.156490472927984 R517A-N532A -0.157182697857189 N525A-R557A -0.157846215815203 L520A-Y550A -0.158163783945946 R542A-K551A -0.158197545208973 F543A-Y550A -0.158776289419517 D528A-I554A -0.159711550700048 A546A-L552A -0.159785560137961 F543A-Y549A -0.159973710540551 L530A-A544A -0.161808525555747 Y531A-L536A -0.162072225892447 A519A-L536A -0.162121658441198 Q538A-H548A -0.162930920429543 L530A-E539A -0.16317665462615 K551A-S556A -0.163179759727383 A512A-N532A -0.165185131065585 E513A-L547A -0.165928532324316 L536A-Y549A -0.166348912521075 Y516A-L552A -0.167174438892352 N525A-A553A -0.169709128984832 L533A-S556A -0.170260436217501 L537A-H548A -0.171140822054654 L537A-Y549A -0.173567291790272 D528A-L547A -0.174190385832137 D528A-Y549A -0.175841468823785 D528A-L537A -0.181855270010061 E513A-N518A -0.182948403454895 A512A-R542A -0.183788410330795 Y521A-L552A -0.184258477270361 L537A-L547A -0.185146132786521 F543A-H548A -0.185475863731994 M526A-K551A -0.186711005544172 E513A-E545A -0.18693481282155 L533A-L552A -0.187689165699736 L530A-L547A -0.188196876782391 N540A-H548A -0.188471730264907 N532A-A553A -0.189869089927256 A519A-L533A -0.190331863693453 N540A-A546A -0.192544686447103 S524A-A553A -0.195224003546798 L533A-L547A -0.195569072058921 L530A-R557A -0.196153509851916 M529A-L536A -0.197273383261363 M529A-Y550A -0.200847640091372 R523A-L530A -0.201457140555956 S514A-L536A -0.202585025829434 L533A-A553A -0.205848887384686 L533A-K551A -0.208120258444889 Y516A-G534A -0.208313388688544 G534A-A544A -0.210383736325413 R542A-H548A -0.211922594610833 E513A-E539A -0.214064028244294 A515A-M529A -0.214917904734005 M526A-Y531A -0.219299361819282 Y531A-L547A -0.219979014075482 Y550A-S556A -0.220908556920731 S514A-Y521A -0.222004323333884 L536A-K551A -0.22545245715128 N532A-A546A -0.225506471727099 A527A-L533A -0.231334765986037 L520A-A527A -0.232381632396593 A527A-N532A -0.234961013511489 A519A-L530A -0.23574851379185 A527A-Y549A -0.238110116597897 N532A-E539A -0.239077593779444 M529A-H548A -0.240253392659531 Y531A-S556A -0.240315182734881 E513A-A546A -0.243227682496105 A544A-Y549A -0.243323409591029 G534A-F543A -0.245033626666048 N518A-S524A -0.251609187047859 Y531A-H548A -0.254184318983822 G534A-K551A -0.26522968275991 A515A-L520A -0.265719612186766 M529A-G534A -0.26648246266901 Y521A-D528A -0.267593016855411 E513A-G534A -0.268056696925171 G534A-E539A -0.27253567237903 Y516A-Y549A -0.275395809961655 L520A-D528A -0.277162673691193 Y522A-D528A -0.279366307135796 A512A-E539A -0.28503444723709 L530A-Y549A -0.285845637409933 H548A-P558A -0.286037264750608 M526A-L552A -0.289469958230917 A512A-L535A -0.290649682484749 G534A-A553A -0.292042559033819 A544A-K551A -0.29535354426054 N540A-E545A -0.297290850231892 D528A-L552A -0.299344760318434 Q538A-E545A -0.303510344424167 M526A-I554A -0.30497944894553 D528A-L535A -0.306675582526452 L530A-L536A -0.31530248766968 L536A-S541A -0.315805651252692 L547A-A553A -0.317567851109323 L535A-S541A -0.318295484833302 Y531A-A546A -0.320395353984928 S514A-L520A -0.324559546191377 Y531A-Q538A -0.328845962384803 A527A-Y550A -0.330383643038412 A527A-R557A -0.33091641924174 S524A-L552A -0.33499080789954 L547A-I554A -0.339465482988934 L530A-L535A -0.352435033018486 E513A-L533A -0.359111234309308 A519A-M526A -0.371396232283788 A527A-S556A -0.37225213994111 N518A-R523A -0.377231076621614 L547A-L552A -0.37825236108242 H548A-A553A -0.429150598622629 M529A-L552A -0.432202114371519 Q538A-Y549A -0.437254580417538 M529A-L535A -0.442728332994166 Q538A-Y550A -0.467941478599073 S514A-A519A -0.486075403085738 H548A-I554A -0.521468759936752 L552A-P558A -0.543719583847066 S541A-A546A -0.548348677463846 Y531A-Y550A -0.59135789767442 Y531A-A553A -0.643944896882694 G534A-A546A -0.661672088530349 G534A-Y550A -0.815381758177635