[Wed Aug 24 17:14:59 2016] >Input file: TM3SPGATD.pdb >TM segments: A83-111_A121-177 MAIDEN score = -25.7537 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-C150A 2.54262130169601 V127A-A132A 1.83162982643733 L125A-C150A 1.04334844494505 W94A-I138A 1.02359889641009 W102A-F130A 1.02031241599307 F136A-C150A 0.932264131446555 E139A-I144A 0.915196488660298 W94A-F134A 0.914215099021811 D110A-V124A 0.889480415230174 D110A-L125A 0.887396938602574 W94A-Q141A 0.886522391349037 C123A-C155A 0.881646655497249 Q141A-Q165A 0.860513405488682 L111A-N128A 0.820401510050052 V127A-F136A 0.750867899682987 L106A-L111A 0.712935241973619 L95A-F134A 0.6940405736119 F97A-Q165A 0.68351953860848 L125A-R149A 0.669457323383629 W102A-V127A 0.628064630817548 G98A-F130A 0.613220531795766 N128A-A133A 0.599268123320681 L135A-R149A 0.596733875093995 F86A-M176A 0.585100577870935 W102A-F134A 0.579409220224835 H108A-P122A 0.570792408106069 A105A-P122A 0.568901737733627 G98A-F136A 0.55027437320655 T140A-V162A 0.548690505013577 L125A-V151A 0.541678358208856 A132A-R149A 0.539097192656438 C150A-C155A 0.530182427724958 V124A-V151A 0.524456897837975 F101A-A158A 0.524085331572341 L125A-F148A 0.52160599052628 F86A-D173A 0.521364721118043 L99A-A133A 0.518528778742967 A105A-V127A 0.514047521347175 L95A-S137A 0.509135346526748 D110A-C123A 0.498522790671562 I104A-C123A 0.492272875666863 F90A-D173A 0.483632672404215 L99A-F130A 0.477890835582828 A105A-D110A 0.470975009231206 L111A-V127A 0.459557322583705 W102A-G129A 0.449673246849864 C123A-E153A 0.433344035728592 F97A-F134A 0.43093081238307 I104A-A158A 0.428230573874865 E154A-V159A 0.425309070377414 A105A-V124A 0.423093524144142 G98A-I138A 0.419992529980731 L111A-Q126A 0.416517802359074 L125A-T152A 0.414152630573919 E139A-C170A 0.411453572755142 V124A-A158A 0.406470669841068 L99A-F134A 0.405485287754768 V151A-A158A 0.39854906174099 F97A-S137A 0.389037264421519 W102A-N128A 0.384884601615046 I100A-M161A 0.382854552191613 T152A-V159A 0.382832391805696 I104A-D110A 0.382673379474722 E153A-V159A 0.372593652004223 T140A-S166A 0.372442706922305 F101A-S137A 0.362145910246696 Q141A-V168A 0.358556914574178 V124A-Y146A 0.356494198398025 C150A-F160A 0.354303332200571 V151A-V162A 0.343096400455931 D110A-V127A 0.341724999974225 V127A-M161A 0.336433635386711 F101A-V124A 0.335434174354774 F90A-I172A 0.331786251908949 F101A-E139A 0.331428617628839 T140A-Q165A 0.325220051589743 Q126A-F148A 0.320661358400871 F97A-C123A 0.320043738371241 T142A-G169A 0.318462154017114 V124A-E154A 0.316496112679085 W102A-A132A 0.310501099462769 S137A-A158A 0.307402949308187 H108A-G129A 0.303737364242314 V127A-Y146A 0.299220341841382 I100A-C150A 0.294292480809617 G98A-A158A 0.291866969676676 T143A-C150A 0.289514287634736 L91A-G169A 0.286276799482123 N128A-C150A 0.279462010782874 V151A-V159A 0.277538892379263 W102A-V131A 0.274503112392086 G98A-L135A 0.272643755782593 F101A-A133A 0.268541595056523 Q141A-M161A 0.267440566332118 F86A-I172A 0.257252660038466 C123A-V151A 0.256282567733793 W102A-P122A 0.254526516563685 V124A-E153A 0.253006943550587 Q126A-A132A 0.250260037471849 W102A-A133A 0.24804074194921 F97A-W102A 0.247295834436246 C150A-V163A 0.24352203002623 L106A-N128A 0.24349989131169 L111A-G129A 0.239313639365445 E139A-G169A 0.238939651324257 L91A-T142A 0.231568134326206 G145A-S166A 0.230418101606415 I138A-V162A 0.221989465362289 G145A-C170A 0.215374167943017 C123A-N128A 0.214887777267175 P122A-C155A 0.213516348009188 I100A-A133A 0.212836186377745 I138A-I144A 0.212701303702555 H108A-C123A 0.210757661624247 T142A-G147A 0.209294149348203 G98A-N128A 0.207502574558279 F97A-M161A 0.206008432009409 L99A-N128A 0.201857456189716 D110A-A133A 0.199694863168986 I138A-T143A 0.198374437443482 L95A-M161A 0.19672029392695 W102A-C155A 0.192895876533152 G109A-Q126A 0.191613102970834 W94A-I172A 0.190648438441258 T143A-D173A 0.18954004608916 C123A-T152A 0.188917678414986 S93A-A133A 0.188469647341996 V131A-R149A 0.186953855869786 S137A-V164A 0.18660535178231 T143A-I171A 0.18310385366249 S93A-S174A 0.182014400579596 W102A-V124A 0.181890304348995 L95A-G169A 0.179387598407641 A89A-I171A 0.178537227066321 C123A-V159A 0.178437690607142 W102A-C150A 0.178430164847949 A133A-A158A 0.176866953517262 I100A-V124A 0.176223928615523 L91A-M176A 0.174798011574243 E139A-V151A 0.172115893102556 K121A-A158A 0.172099489002374 F90A-E139A 0.171723961739182 W94A-T143A 0.168111263599116 G98A-T142A 0.167354223050451 F97A-C150A 0.16711687409717 F136A-A158A 0.165436350905016 L125A-C155A 0.165313849300956 T152A-F160A 0.163834802590829 T140A-T152A 0.162453370035271 I138A-C150A 0.16236309586664 D110A-T152A 0.162196278566316 G98A-V124A 0.158870786215309 F101A-T140A 0.157847425470979 G98A-C123A 0.157309417004088 G109A-G129A 0.15502299692374 F97A-A132A 0.153817921099088 C123A-P156A 0.151318635105516 F97A-A133A 0.150273848222625 K121A-T152A 0.148619223125718 I100A-V164A 0.146429757802782 T140A-I172A 0.145695925016458 L125A-G145A 0.144828745432717 V127A-V159A 0.14362146962905 E139A-Q165A 0.143157890612051 C123A-G129A 0.143022948459099 Q126A-S137A 0.142683932441983 A105A-R149A 0.142253640203825 H108A-F130A 0.141949990087697 S137A-G147A 0.141437901442102 C123A-S137A 0.140220388517739 G98A-C150A 0.139340383107037 L106A-V127A 0.135569025407538 A89A-T142A 0.135091492406648 H108A-Q126A 0.134746172286214 W102A-R149A 0.134619157051322 V151A-S166A 0.134618552564176 S93A-T140A 0.134327037566214 R149A-A158A 0.13412186649813 W94A-C170A 0.133623959966383 V92A-G169A 0.132859854373612 T140A-C170A 0.132336230889671 D110A-A132A 0.131944999916533 V92A-V131A 0.131682455747262 F101A-M161A 0.131583937901224 A89A-I177A 0.131114573826209 Q126A-E139A 0.13102640432447 H108A-P156A 0.128816102879214 V124A-V159A 0.128676785758147 E153A-A158A 0.127495523437061 H108A-T152A 0.127376674479583 T143A-I172A 0.126457713416667 L84A-I172A 0.125664267211597 S137A-F160A 0.125345776023225 I100A-T140A 0.125293904071142 A132A-V151A 0.125141836758275 G109A-L125A 0.124275507375454 S93A-V164A 0.124138856472584 S93A-D173A 0.123525020183188 K121A-R149A 0.121853180640927 F101A-G109A 0.119834105849338 F90A-Q165A 0.119820995003225 F101A-Q126A 0.119735247511567 F90A-G98A 0.119126564270048 F134A-Q165A 0.117247923880075 I100A-C123A 0.115881666002052 A132A-G145A 0.115879302362631 Q126A-F134A 0.115562326042179 Q141A-V162A 0.115556982861109 P122A-A133A 0.115509058028951 A105A-V159A 0.115359180059169 A105A-F136A 0.115121059702686 S137A-Y146A 0.114957756064368 S137A-V168A 0.114923675250638 A133A-G147A 0.114748168973571 Q141A-R149A 0.114439057341517 W94A-A132A 0.114373503201064 S93A-I171A 0.113840173952448 F90A-F175A 0.113186586308791 F101A-Q141A 0.113170764470699 V92A-D173A 0.113085976099832 A89A-S166A 0.11266863774564 G98A-V151A 0.111874213719609 L99A-L157A 0.111125351830171 S137A-V163A 0.110967026857729 F97A-V163A 0.110902371585702 G109A-E154A 0.108577578835165 F136A-R149A 0.108178595102088 H108A-M161A 0.107977896627318 I144A-C150A 0.10725028133222 P122A-T152A 0.106001217707989 V92A-F134A 0.105342915699797 S93A-T142A 0.104790470771948 A133A-L157A 0.104637898256464 L103A-S137A 0.104586159219525 A133A-G145A 0.104483555533795 E153A-V162A 0.104277016126152 V92A-I172A 0.104097353469871 S137A-C170A 0.103965204712391 H108A-L157A 0.103539172364753 T142A-S174A 0.103529887363656 S137A-V159A 0.103257665811524 L91A-V168A 0.103249508277667 L99A-V162A 0.102990353328985 W94A-E139A 0.102260934633057 S93A-M176A 0.101433373327797 L96A-L135A 0.101433358450011 T142A-V162A 0.10132948612152 L91A-L135A 0.10117466455833 G147A-T152A 0.101056815904429 L91A-V131A 0.101046711951256 L103A-V124A 0.10085608403871 I107A-C155A 0.100020142587298 I100A-S137A 0.0995099915484898 L135A-V162A 0.0992881884990791 E139A-T152A 0.0990246919387432 G109A-A132A 0.0981921099942253 C150A-S166A 0.0974132304364973 I104A-G109A 0.0969667237744511 P122A-E154A 0.0969553905974555 A105A-V131A 0.0961879781022961 L103A-Q126A 0.0961807168049917 V151A-Q165A 0.0954723138602096 S93A-V162A 0.0950142233727718 A89A-F134A 0.0935622094129496 Q165A-S174A 0.0918677752744457 Q141A-G147A 0.0913449693518524 F86A-G169A 0.0911390755798362 I144A-Q165A 0.090678026702629 L125A-V162A 0.0904285272595629 I104A-L157A 0.0903598029530932 D110A-C155A 0.0903139846613397 A105A-S137A 0.0902413298686651 I138A-I172A 0.0901937476936641 Q141A-V151A 0.0900996200273547 L96A-M161A 0.0899608881693523 V163A-I171A 0.0898809622396852 V127A-I138A 0.0898421478826419 A105A-V151A 0.0897742539859661 L99A-V127A 0.0897502072330942 L84A-M176A 0.0896479086937916 T143A-S166A 0.0896294872655732 V159A-I167A 0.0895854043475968 L106A-L157A 0.0888807174495838 L125A-I138A 0.0888491626051886 L125A-S137A 0.0887816701113042 G98A-G169A 0.088721654812483 S87A-C170A 0.0884095715091991 L95A-V168A 0.0879965762881094 A132A-C150A 0.0875381515757774 L91A-F175A 0.0871446868239443 L99A-L111A 0.0866509268251987 I104A-L135A 0.086158408257087 L85A-S93A 0.0861241906427921 L95A-A132A 0.0855488556674393 I100A-I107A 0.0852723569858229 C123A-A132A 0.0851222272274079 H108A-E153A 0.0849079603535996 L111A-L135A 0.0844817992292302 L106A-V124A 0.0843490243206011 G147A-V162A 0.0840321562927928 L99A-F160A 0.0834294866789378 I104A-N128A 0.0829973130356123 V127A-T152A 0.0828468556977464 A133A-Q141A 0.0827420601105002 G98A-V168A 0.0825861907378331 A133A-M161A 0.0825289507051975 F136A-Q165A 0.0822594371216603 V92A-L135A 0.0815625896500005 C123A-F148A 0.0812484500539696 S93A-T143A 0.0811545315088461 L95A-G129A 0.0809029059799613 L125A-G147A 0.0801370638237223 V127A-V162A 0.0798389816345129 A105A-M161A 0.0798271469120627 L83A-D173A 0.0796879007737488 D110A-F136A 0.0796726672455804 C155A-F160A 0.0791436515415711 L125A-F130A 0.0788809283446108 S87A-S137A 0.0780466953997685 L99A-V124A 0.0779732573597298 I144A-S166A 0.07762854934162 M161A-C170A 0.0765704829849225 L135A-V151A 0.0761981760626584 A133A-I144A 0.075805972913942 A89A-I172A 0.0754635260901866 L106A-V131A 0.0753522094330132 I144A-I167A 0.0751196067236 G98A-G145A 0.0750449586629288 F97A-Q141A 0.0745620580789481 F101A-K121A 0.0745419468295605 A133A-V151A 0.0742800749372257 G145A-G169A 0.0742395070598567 T152A-M161A 0.0732827463037244 L125A-V131A 0.0726080613246438 V168A-M176A 0.0722922857488433 V124A-T140A 0.0721938561383428 R149A-V162A 0.0711706398843568 I104A-Q126A 0.0708824524276885 T140A-V159A 0.0706088005537333 T143A-V168A 0.0688626862002693 I138A-A158A 0.0678704582413281 V163A-I172A 0.0675419302281615 V92A-C170A 0.0672832450882876 F101A-V131A 0.0670043700696876 C150A-A158A 0.066926440565602 I100A-H108A 0.0669225952838777 I100A-L111A 0.0668766007240817 L125A-E139A 0.0663436746387784 L106A-Q126A 0.0657604827834239 A133A-F148A 0.065688711581954 L91A-A133A 0.0656076091441341 L99A-M161A 0.0639227970825633 W94A-S166A 0.0634128883083243 I100A-Q141A 0.0633877900071571 L96A-F160A 0.0631744523604096 W94A-M161A 0.0628050805281877 L88A-L96A 0.0620861612822532 K121A-E153A 0.0614101600914627 T143A-R149A 0.061363692511002 E154A-F160A 0.0612618231849105 F134A-C150A 0.060824305259692 L88A-I171A 0.0608054136976861 Q141A-V159A 0.0605972998831761 D110A-K121A 0.0600045212318461 G98A-V159A 0.059697832485762 D110A-Q126A 0.059635821126701 L99A-Q165A 0.0583046794732844 V124A-P156A 0.0578797626767544 F97A-E139A 0.0578761621459027 C170A-F175A 0.0578758710352294 L125A-P156A 0.057736115031414 A158A-S166A 0.0570654292229502 I100A-L125A 0.0570306693239182 L88A-I138A 0.0567538008455497 A89A-Q141A 0.0564756580082271 T142A-F175A 0.0559983775148396 A105A-L135A 0.0557466433262976 L135A-M161A 0.0557419919489093 F90A-I177A 0.0551972582090353 L103A-F130A 0.0545046791326431 L111A-F134A 0.0535742956078531 S93A-I138A 0.0533689585428281 A133A-C150A 0.0533203489151455 S137A-I167A 0.0528478273979238 A132A-Y146A 0.0521654429239993 I100A-G129A 0.0518243261598119 G147A-V159A 0.0511159507094198 L111A-A158A 0.0510104901910378 Y146A-T152A 0.0508058039715789 F101A-C123A 0.0503972661358042 I138A-G147A 0.0503233262764953 A105A-N128A 0.0502239958821207 L85A-I177A 0.0498266297313759 N128A-G147A 0.0497720300354438 A132A-I144A 0.0494972984895803 L88A-F134A 0.0491916888613604 G98A-L111A 0.0490247735309366 I107A-N128A 0.0486968992058392 F130A-R149A 0.0483418595588745 F90A-T143A 0.047498461574587 F101A-N128A 0.0472418836681971 N128A-F136A 0.0466296879390422 H108A-L125A 0.0466062387960792 V159A-V168A 0.046465138390718 V151A-V164A 0.0458397728643893 F134A-M161A 0.0457089629628267 S87A-G169A 0.0451764962906456 G98A-L106A 0.0450878517878084 S137A-S166A 0.0450053814737004 V124A-G129A 0.0443112528734204 F101A-F134A 0.0442366716650593 V168A-F175A 0.0439964247851137 W94A-G129A 0.0429987602194293 G98A-S166A 0.0428860692114725 A105A-P156A 0.0417205346019198 I107A-V127A 0.0412798351105081 F97A-V151A 0.0407676057333011 A89A-S174A 0.0407271708363499 I144A-G169A 0.0403706609157957 S93A-C170A 0.0401526926762483 I138A-V164A 0.0400696233387445 L88A-Q141A 0.0400012502335718 K121A-F148A 0.0395342170979545 W94A-D173A 0.0393847918591472 L88A-M176A 0.038759732017982 G129A-S137A 0.0387582336282126 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