[Wed Aug 24 17:52:14 2016] >Input file: TM3JYCATD.pdb >TM segments: A81-111_A121-177 MAIDEN score = -18.2457 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 ----------- ---------------- C123A-E154A 10 V124A-V151A 10 V124A-C150A 3.06886405535496 L125A-C150A 1.08856543967619 Q141A-Q165A 1.08355467948787 W94A-I138A 1.07464099886654 V127A-A132A 1.03836530254509 W94A-F134A 1.02758781627431 W102A-F130A 1.00362121837016 V127A-F136A 0.929513672202784 L111A-N128A 0.922825635019153 L106A-L111A 0.890967388297196 F136A-C150A 0.878415376895664 D110A-V127A 0.805958013937447 C123A-C155A 0.800582105803826 E139A-I144A 0.770576570154844 W94A-Q141A 0.705496571214242 L95A-F134A 0.687628513030257 F97A-Q165A 0.676126033187744 W102A-F134A 0.671981410340323 L99A-A133A 0.663878739807676 T140A-V162A 0.638484364374336 G98A-F130A 0.61865493161694 L125A-V151A 0.613231818768702 W102A-G129A 0.612119076940976 D110A-L125A 0.597925387572518 F101A-A133A 0.589947419463902 L135A-R149A 0.585487450126682 W102A-V127A 0.584477674680831 H108A-P122A 0.582727598704097 G98A-F136A 0.553559266699262 F101A-A158A 0.539238483680152 F136A-G145A 0.522174306034174 L95A-S137A 0.521252267156104 L125A-F148A 0.513650086948708 L111A-V127A 0.508546921210358 E154A-V159A 0.503364260695228 F90A-D173A 0.502431930202325 A105A-P122A 0.491690767775749 L99A-F130A 0.484799952275499 N128A-A133A 0.479857020650335 C150A-C155A 0.476322344564053 A132A-R149A 0.467732254893157 F86A-D173A 0.466594469345993 F101A-S137A 0.4633685697637 F86A-M176A 0.450024384428751 A105A-N128A 0.449734014603088 F90A-I172A 0.436775406533355 D110A-C123A 0.429503247074544 T142A-G169A 0.42584404120167 F97A-F134A 0.414898810294587 I104A-C123A 0.409833043859952 V151A-A158A 0.400193621596929 G98A-I138A 0.39991392398959 L99A-F134A 0.394078267062276 V124A-A158A 0.393526676731911 A105A-V124A 0.388196242373865 T140A-Q165A 0.386203894349511 W102A-N128A 0.385316516718061 T140A-S166A 0.382418350779536 A105A-V127A 0.373744009953477 I104A-A158A 0.370715594600039 I100A-M161A 0.369549482807297 F97A-S137A 0.365953814771184 W102A-V131A 0.364816684786703 V124A-Y146A 0.353375856871363 V151A-V159A 0.348907978728434 C150A-F160A 0.345594663061523 C123A-V151A 0.341020418679964 F101A-E139A 0.339164911955037 D110A-V124A 0.335977054344337 V124A-E154A 0.332494694226782 G98A-L135A 0.319281905257331 G98A-A158A 0.318962438811317 V92A-M176A 0.313184341320212 M82A-V92A 0.309260522290764 V127A-Y146A 0.298266497804327 V151A-V162A 0.297214720779893 T143A-C150A 0.295827604769499 L111A-Q126A 0.28695499737041 F97A-W102A 0.286448348005679 C150A-V163A 0.284935416090093 W102A-P122A 0.281857075696848 N128A-C150A 0.27198818745015 F97A-C123A 0.27173443495122 Q126A-A132A 0.266594772466149 H108A-G129A 0.261145917719936 K121A-T152A 0.259888425588872 L91A-G169A 0.250877251588285 S137A-A158A 0.24362913655421 G109A-Q126A 0.240355695684699 L125A-R149A 0.239833403126653 V124A-E153A 0.238486818131377 Q126A-S137A 0.236792932180164 A89A-I172A 0.233060485884234 L106A-N128A 0.232052650231536 L91A-T142A 0.231959362414812 Q141A-M161A 0.227745487562289 C123A-V159A 0.226055643374513 P122A-C155A 0.219752170941645 I104A-G129A 0.217902780138489 G109A-V124A 0.216915645816979 E139A-G169A 0.21628435463759 A89A-S174A 0.215608778457578 Q126A-F148A 0.209910534673657 L125A-T152A 0.209212080279361 W94A-I172A 0.206227720332803 I100A-C150A 0.205590345547366 Q141A-V168A 0.204461941148956 I138A-T143A 0.204119500140457 L99A-N128A 0.203788570695866 F101A-V131A 0.203689553062158 V127A-M161A 0.202882798716738 L95A-M161A 0.202147123763778 F101A-M161A 0.201225735264285 G98A-N128A 0.200372705247005 L106A-V127A 0.199212016674223 T152A-L157A 0.19720092943711 V92A-G169A 0.196296625713012 V92A-I172A 0.195264757693488 S93A-V164A 0.19424965304471 A105A-S137A 0.193517951455799 T140A-I172A 0.190800728496048 G145A-C170A 0.188000179642875 V131A-R149A 0.187428775113011 Y81A-M176A 0.18509278800682 I138A-C150A 0.184369843832826 S137A-V164A 0.184197876126301 E139A-C170A 0.179722906095392 F101A-V124A 0.179010345109754 V124A-V159A 0.178584275001132 H108A-T152A 0.178258281395681 W94A-M161A 0.175373806116678 E139A-V151A 0.17487107576682 E153A-V162A 0.174049806318511 V92A-D173A 0.17370865881242 S93A-M176A 0.171187271447569 L125A-C155A 0.169312934781379 A105A-F136A 0.167884098255354 W102A-C150A 0.167585344905436 T142A-G147A 0.167291577595488 C123A-P156A 0.167045237187945 H108A-P156A 0.165343805348985 D110A-T152A 0.164952223670789 G109A-A132A 0.164624009128265 F101A-T140A 0.164319072045619 T143A-D173A 0.161900370687449 H108A-E153A 0.161795599933798 S87A-S174A 0.161775268357917 A132A-V151A 0.15914814895891 D110A-A133A 0.15838595525758 W102A-C155A 0.157851308656975 G98A-C123A 0.157481753162225 W102A-R149A 0.155815060999202 H108A-C123A 0.154109390114842 A133A-F148A 0.15383390494296 G98A-C150A 0.153452098306584 A89A-T142A 0.152588269823196 W102A-A133A 0.150129449365665 T143A-I171A 0.148544032518721 L111A-G129A 0.147501495345799 W94A-T143A 0.147119028450314 V92A-F134A 0.146262426092632 A105A-R149A 0.14563769616854 T140A-T152A 0.145306505418738 L135A-T143A 0.143784382739142 K121A-A158A 0.142834249163826 G145A-S166A 0.14206308045675 L95A-G169A 0.142061245634797 L103A-C123A 0.141707961827914 F136A-A158A 0.140942897136217 S93A-T140A 0.140457454119169 I100A-V164A 0.139470916366882 I172A-I177A 0.136929506137569 I100A-C123A 0.136747537833279 S93A-T142A 0.13638543758215 V92A-V131A 0.135141326694914 H108A-Q126A 0.135104438707163 V127A-V159A 0.134852150789326 S137A-Y146A 0.134652947097296 I100A-L111A 0.132770478184706 F130A-F136A 0.132660617425755 R149A-A158A 0.132651534552713 Q126A-G145A 0.132288823795765 S137A-F160A 0.131804338195951 M82A-I172A 0.131081240184921 C123A-S137A 0.130998599272943 F97A-M161A 0.130691218419213 L99A-V127A 0.129472484458939 L106A-V124A 0.129471496759564 Q141A-R149A 0.127990556815368 C123A-G129A 0.127032506562087 C123A-N128A 0.126688314697759 T143A-I172A 0.126557238144886 I104A-N128A 0.126529114930696 I100A-T140A 0.126379056658604 I104A-D110A 0.125898346713246 S93A-D173A 0.12554532980588 G98A-V124A 0.125338560567528 P122A-A133A 0.123553819299312 A105A-V159A 0.122736917651689 E139A-Y146A 0.122156938776755 F90A-G98A 0.119108364749326 G169A-I177A 0.118923498144385 W102A-A132A 0.118726957339298 Q126A-E139A 0.117665202738314 L99A-L157A 0.117421952257265 W94A-E139A 0.116941681738447 F136A-Q165A 0.116368092374393 I138A-I172A 0.116302485440675 A133A-G147A 0.115972638757605 L111A-A158A 0.115891088954198 S137A-V163A 0.115757461402462 F90A-Q165A 0.115454407006045 A133A-Q141A 0.114557033845106 F101A-Q126A 0.112596582382649 W102A-V124A 0.110788870624775 S137A-G147A 0.110387815306614 L95A-I138A 0.110318079647526 F90A-E139A 0.10910222450878 G109A-G129A 0.109057747746536 S93A-S174A 0.108322527391103 G98A-V151A 0.107276927097639 V124A-T152A 0.106424044061271 A132A-G145A 0.106335199873179 A133A-G145A 0.106264699664076 Q126A-F134A 0.106196835066396 F86A-F175A 0.105869766270296 S137A-C170A 0.105767832798574 L88A-D173A 0.10368718078714 T142A-S174A 0.103602215503108 L83A-D173A 0.10323800196855 V151A-Q165A 0.102881154890025 A105A-F134A 0.102665976368733 V168A-F175A 0.102512700307721 S137A-V159A 0.102493530017685 Q165A-S174A 0.10220345375114 A105A-D110A 0.10151690472513 A89A-S166A 0.101163394242711 M161A-C170A 0.0997876744252193 S93A-A133A 0.0993374741972755 L85A-D173A 0.0993328870055263 C170A-F175A 0.0991312460519294 A133A-V162A 0.0984969894357897 V151A-S166A 0.0983453761808741 L103A-Q126A 0.0980459762923505 H108A-F130A 0.0980439051237187 V168A-M176A 0.0979132759126013 L99A-L111A 0.0978043644037494 G147A-T152A 0.0974421479686384 T152A-V159A 0.0967282568763874 L106A-L157A 0.0946040096020864 F134A-Q141A 0.0942616787441297 I104A-L157A 0.0939622815795755 V159A-V168A 0.09372102148909 L99A-Q141A 0.0936817145944013 K121A-R149A 0.0932633524483713 C150A-S166A 0.0925946608534166 L96A-L135A 0.0924866246836 L125A-I138A 0.0922202683035283 L95A-A132A 0.0912958932658761 G98A-G169A 0.0905336900097922 I107A-C155A 0.0904061638337275 V163A-I171A 0.0901850045667133 I100A-V131A 0.0900054652767877 V127A-I138A 0.089949926637252 I100A-S137A 0.0897127759549274 E139A-Q165A 0.0895226363929611 I100A-L125A 0.089229624778321 P122A-E154A 0.0890330762944787 F86A-C170A 0.0889900877856 I104A-L135A 0.0889308714951017 I144A-C150A 0.0888991745123202 L95A-V168A 0.0886799041839146 A105A-L111A 0.0879368415969495 H108A-V127A 0.0877626403020568 V127A-G145A 0.0877025842855816 C123A-V163A 0.0876095987842902 L125A-V162A 0.0872564059343861 F101A-K121A 0.0864796140261124 K121A-F148A 0.0864796140261124 L106A-Q126A 0.0855655764787615 L135A-V162A 0.0853580717383793 I104A-A132A 0.0847144855299735 L84A-I177A 0.0846642972600014 L99A-V162A 0.0838779735548822 A132A-C150A 0.0838765876645942 F134A-C150A 0.0836102357541811 S93A-T143A 0.0835799600226128 E153A-V159A 0.0835522435808169 T140A-V159A 0.0833509796941323 L91A-V131A 0.083293871653682 L85A-S93A 0.0828592261944796 A105A-M161A 0.0824098998880319 L111A-L135A 0.0821920643003597 F101A-F160A 0.0814821883759631 A105A-V131A 0.0813314192873911 G109A-E154A 0.0810936399990907 W94A-C170A 0.0807546473132881 D110A-A132A 0.0803116250509612 C170A-I177A 0.0802623008726884 T152A-M161A 0.0799640405717209 V124A-V163A 0.0795727332111804 I107A-N128A 0.0793456634863641 F86A-G169A 0.0793221062532696 C150A-A158A 0.0792017749202563 S87A-C170A 0.0787626638007276 C155A-F160A 0.0783314657751339 L106A-V131A 0.0779558716045456 L106A-F134A 0.0775376581744633 I104A-Q126A 0.0769098476531735 S93A-V162A 0.0766401503050824 V127A-C155A 0.0763518238438188 L99A-V124A 0.076092059660902 L96A-I167A 0.0760745473822055 R149A-V162A 0.0760679998034013 I138A-A158A 0.0758645610934949 A132A-I144A 0.0757963827309098 L135A-V151A 0.0756064691755869 A133A-I144A 0.0755895326024304 I100A-H108A 0.0737624383935805 L91A-V168A 0.0737222884039708 V92A-L135A 0.0735705080175131 D110A-C155A 0.0726694242816728 G145A-Q165A 0.0722257159468089 L125A-A158A 0.0719625799572867 V127A-T152A 0.0717219454473783 L99A-M161A 0.0714646465040847 S93A-I172A 0.0710545497645199 A133A-V151A 0.0707170839132845 G98A-T142A 0.0705751637316228 F101A-G109A 0.0702447402358652 Q141A-V151A 0.0698678378758383 A105A-C123A 0.0689968797565434 V124A-T140A 0.0686832839167286 T142A-F175A 0.0686141094186899 L88A-Q141A 0.0684033099365822 G98A-V164A 0.0678121954832456 V151A-V164A 0.0672019698005286 C123A-A132A 0.0671252932878028 A133A-C150A 0.0671018598325779 D110A-K121A 0.0670505106737916 G145A-V162A 0.0662018075137425 I144A-Q165A 0.0661924786242967 S137A-I167A 0.0660915180197868 L96A-A132A 0.0658686718680277 V127A-A133A 0.0657748395838205 L91A-A133A 0.0657154156436915 F97A-F136A 0.0656924276726869 A89A-Q141A 0.0655386681257438 A105A-L135A 0.0654833518892655 A158A-S166A 0.065476288654442 W94A-S166A 0.0652669542717623 L83A-I172A 0.0651332291998361 S87A-I177A 0.0649466067866661 M82A-S174A 0.0647266082901155 T142A-V168A 0.0637936283423783 V92A-C170A 0.0636410524170494 A133A-V159A 0.0634987881318105 E154A-F160A 0.0631991293341318 E153A-A158A 0.0625123751813742 L96A-M161A 0.0624170366328629 L95A-A105A 0.0618867322847905 L88A-I138A 0.0608669643073174 G109A-L125A 0.0595302931382395 V159A-I167A 0.0594859518218955 F101A-C123A 0.0592378102949733 T143A-R149A 0.0588627626759402 Q141A-S174A 0.0587266639402877 G98A-L106A 0.0585053072733747 A133A-M161A 0.0583545674071106 Y146A-T152A 0.0583068757248308 F134A-Q165A 0.0568428503144598 F97A-C150A 0.0568224624290981 N128A-S137A 0.0563683131075783 F90A-T143A 0.0563413309988481 W94A-G129A 0.0561944792750582 F136A-R149A 0.0558327474486783 L135A-M161A 0.0555717471303467 T143A-S174A 0.0552735795906432 V168A-I177A 0.054838584473881 F101A-V127A 0.0548294528384865 F101A-N128A 0.0547819026740786 V124A-P156A 0.0545902257422923 A132A-Y146A 0.0545066178577622 W102A-G109A 0.0541277387880377 N128A-G147A 0.0541069690819174 I104A-V159A 0.0537329417256664 L125A-S137A 0.0535944849233498 Q165A-D173A 0.0529578589987001 I138A-V162A 0.0528781865361809 H108A-M161A 0.0526396816822512 C123A-E153A 0.0524379384720883 S93A-C170A 0.0522233171967543 A105A-V151A 0.0508264383290777 L85A-I177A 0.0504801594443207 F97A-A132A 0.0502375017541157 G98A-L125A 0.0498172666879713 S137A-V168A 0.0494477865034684 D110A-F136A 0.0483613965708694 L125A-F130A 0.0480542744034196 F134A-M161A 0.0476946729588812 H108A-L125A 0.0473330819183528 L106A-L125A 0.0464805161378372 L99A-F160A 0.0461280744077461 C123A-F148A 0.0460687527398465 W94A-A132A 0.0460616925520201 M82A-L88A 0.0456571490249482 Q141A-I172A 0.0455775142658394 G129A-S137A 0.0454259343938603 L111A-F134A 0.0452165951556163 L125A-P156A 0.0449307011418432 I100A-F134A 0.0442580920576374 S87A-L95A 0.0439465510361654 S87A-G169A 0.0436436414743258 G98A-V168A 0.0428604709066507 T143A-F148A 0.0425609880945075 V131A-F148A 0.041382156546597 F101A-D110A 0.0404518587690434 I138A-G147A 0.040199296955052 A89A-I171A 0.0401075468286261 L103A-F130A 0.0391307124425104 A105A-P156A 0.0389769254258159 F134A-I144A 0.0387373574928969 L125A-F136A 0.038130680667237 F101A-Q141A 0.0375152076262362 W94A-D173A 0.0363380930127453 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