[Wed Aug 24 23:56:10 2016] >Input file: TM2LCKCGG.pdb >TM segments: A12-25_A62-88_A103-126_A170-184_A215-227_A261-274 MAIDEN score = -23.5003 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- I176A-E181A 1.09742439069444 V225A-F261A 0.924594714004058 V83A-Y88A 0.664343332137274 A15A-V273A 0.626052331032246 I18A-S270A 0.586592968101869 A116A-V171A 0.582946332893929 D224A-F261A 0.515297702897083 D224A-F265A 0.46689246963591 R107A-S112A 0.394916374385736 L22A-R267A 0.393160539971432 L266A-W271A 0.383221031526269 R173A-C179A 0.368909607651009 S79A-P124A 0.352258595623252 L108A-T113A 0.351887708212299 D23A-R267A 0.348833285380909 A172A-K227A 0.348543884859195 A220A-K227A 0.34820108050895 L109A-T114A 0.347692571074574 P124A-N170A 0.337488021709683 G111A-E181A 0.335296993717734 V177A-L182A 0.327946671972048 G86A-G115A 0.312684036860193 C13A-V71A 0.307757649369851 E181A-T216A 0.30415696372309 A220A-S264A 0.301004570721146 S79A-G86A 0.299977487524477 D16A-P21A 0.298767921125611 P263A-W271A 0.295888575044094 P63A-N68A 0.293433896829886 S112A-A175A 0.290308641377964 L117A-A122A 0.286528798362534 E181A-C215A 0.285709404359127 L22A-G269A 0.283630825928569 D16A-R76A 0.268870775888333 V71A-R76A 0.259031861933295 A25A-R267A 0.243243515465046 G105A-N178A 0.237913243464523 G111A-L182A 0.237395691790627 N178A-V183A 0.237191661464081 T19A-L266A 0.236923901672013 T184A-C215A 0.235254101419995 G115A-Q123A 0.234151058493737 Y88A-A118A 0.23315623814461 Q77A-Q123A 0.232899180402353 F80A-Q123A 0.232301168115897 V177A-I219A 0.226626400117808 V121A-D126A 0.224766497806602 P21A-L66A 0.224198010731256 C13A-Q75A 0.223756153262276 S112A-A172A 0.222614809890758 R267A-N272A 0.219430408449663 L66A-G73A 0.218353882308851 A180A-S221A 0.21714016363282 P21A-S264A 0.214769977726323 Q75A-Q123A 0.210263113718938 S112A-A120A 0.209097648867734 S65A-V71A 0.206959698186013 S221A-P263A 0.204565734302079 T19A-N272A 0.200018604127693 R76A-V83A 0.199355278301465 T113A-I176A 0.197117280532814 V177A-V183A 0.196930930275473 D23A-K227A 0.194310782155603 G111A-A116A 0.192896844965901 A220A-R267A 0.187123596278682 K227A-L266A 0.181243041149928 S112A-L182A 0.179332284635539 T113A-A172A 0.175712473476579 V223A-R267A 0.175407056899094 G111A-I176A 0.17300472000831 R76A-P124A 0.172346495930582 T217A-W271A 0.171940530614683 P21A-S65A 0.171157895731451 S79A-Y88A 0.168342747887077 G62A-G69A 0.166443297151158 P21A-R267A 0.16560625663257 A118A-T125A 0.165317728888321 P21A-G73A 0.162130250261025 G86A-A116A 0.161975865214363 C179A-I219A 0.157916629396421 G115A-C179A 0.156363456537447 I104A-T113A 0.155971620518979 T217A-P222A 0.155307366061587 D126A-N174A 0.1548647245993 V223A-M262A 0.154657290178693 V119A-A175A 0.154045349656354 A12A-I18A 0.153954400285956 L109A-C179A 0.153698298360449 S221A-G269A 0.152464071387024 G115A-A172A 0.149677082260481 N174A-C179A 0.148313801611046 R107A-A180A 0.147328206138603 A116A-R173A 0.147042473759699 R84A-A122A 0.14608657185439 I176A-V223A 0.143942947910661 L109A-N174A 0.143940918776808 Q123A-N170A 0.143699234610783 I18A-V273A 0.143490701642719 A15A-R76A 0.14314686477848 A12A-G73A 0.142459978084038 S106A-E181A 0.141694509526613 A25A-M262A 0.141684454800555 N170A-D224A 0.141324528908083 D126A-R173A 0.14099443653787 N178A-S221A 0.140051611818317 A72A-S79A 0.139032239078896 V225A-S264A 0.13796309857265 Q75A-P124A 0.136352837275776 E181A-S221A 0.135882527028672 D224A-L268A 0.13586399646492 D16A-V71A 0.135851680666623 V226A-S264A 0.13581749268947 S112A-V119A 0.134797450722399 V218A-S264A 0.133111788535967 F80A-T125A 0.132406980366961 A118A-A172A 0.132144719123042 G111A-R173A 0.131165223607113 A15A-R267A 0.130875491927062 G86A-T114A 0.130661561996059 I14A-V273A 0.130023663727047 L17A-V274A 0.130017809100794 L87A-V119A 0.129386154329632 G103A-L182A 0.129356537697422 A15A-V274A 0.128564947048048 T19A-G73A 0.128381275671914 T114A-N170A 0.128331357403977 D126A-N170A 0.128253980329662 S112A-R173A 0.126913880197185 F20A-R76A 0.125963545697043 S221A-N272A 0.125398488802972 S79A-R84A 0.125244398391597 M262A-G269A 0.123656559859559 A175A-V183A 0.12272410193774 A110A-N174A 0.121567180992539 I18A-N272A 0.120416313524252 G73A-F80A 0.120276860543593 S106A-A175A 0.119201993889147 N174A-L182A 0.118879946190029 A15A-S79A 0.118499303463098 L117A-N170A 0.116547975754065 T19A-S270A 0.116287674713851 G111A-A172A 0.115914414862536 R84A-A118A 0.114439425192091 V71A-S79A 0.114164327492697 S79A-L87A 0.11360600537795 V218A-L268A 0.112492966700477 V223A-L268A 0.112165114446651 L17A-L66A 0.112020941123904 V225A-L266A 0.112006989701797 A15A-L266A 0.111729484624771 P63A-G69A 0.111613456190959 D126A-V171A 0.109847685689715 F80A-A122A 0.109846690550564 T113A-N178A 0.109573182888579 V218A-G269A 0.109395799186625 R107A-A175A 0.10928001684702 L17A-V273A 0.109056498041626 I14A-S270A 0.108659246783292 S112A-A122A 0.108260418907585 P222A-L268A 0.108106851323705 P222A-M262A 0.107537263580856 Y88A-L117A 0.106946083082201 D23A-S270A 0.106885781027486 G269A-V274A 0.106183826376366 T216A-V274A 0.106017943780397 L109A-A175A 0.105460198592077 A12A-R84A 0.104795299410447 A118A-N174A 0.104681518826492 T216A-V273A 0.104477267221075 G86A-G111A 0.104452362639313 V177A-V225A 0.10396854562103 S82A-Q123A 0.103851034473445 V83A-Q123A 0.103838015363986 A220A-S270A 0.103817412092224 A120A-N170A 0.103468795868157 P63A-L70A 0.10333690335144 T114A-A175A 0.10197934138036 G103A-G111A 0.100707444884616 G86A-V119A 0.100578141120354 G111A-A180A 0.100185023540895 S79A-D126A 0.0997634656730186 A110A-A118A 0.0996950960823479 C13A-S270A 0.0988488541100182 A25A-S270A 0.0987906819473197 A220A-P263A 0.0983769602900524 T217A-S264A 0.0975085406808971 A220A-F261A 0.0970703029422069 L22A-S264A 0.0969871290967304 A110A-N178A 0.0967619851113741 I14A-L22A 0.0964974632291034 V121A-V171A 0.09644719759038 V177A-S221A 0.0957419386909173 S112A-A180A 0.0948009174356614 A12A-Q77A 0.0945475101865476 A81A-A122A 0.0945432734717766 L108A-V177A 0.094286612711187 S106A-A116A 0.0941066943998172 T184A-V223A 0.0940441686003242 G73A-T125A 0.0937823880778226 P222A-R267A 0.0936899851427127 L117A-A175A 0.0935558574404338 D16A-L70A 0.0933214538761362 V83A-G115A 0.0926284755219073 L108A-T114A 0.0925384670599225 D16A-V273A 0.0919415605966432 T114A-V171A 0.0918700094661569 L108A-L117A 0.091864818967224 V183A-T216A 0.0918485999130318 P21A-L266A 0.0918045499141602 M262A-R267A 0.0917781588249236 T125A-V171A 0.0913963689210391 A72A-P124A 0.0906462269897341 G105A-T113A 0.0902459445753332 C179A-S221A 0.0898308362201884 L66A-L74A 0.0896178481024354 N170A-V177A 0.0890878407082665 F261A-G269A 0.0888723913286436 A172A-C179A 0.0887616008261937 A12A-V71A 0.0886488763356654 T217A-G269A 0.0885420560525 A12A-T19A 0.0884886505178621 R107A-A116A 0.088275410773357 I104A-C179A 0.0878723069276036 L22A-L268A 0.0878455253656818 I14A-W271A 0.0877819956943267 V171A-N178A 0.0869702483460041 L87A-A120A 0.0862547865991534 S112A-L117A 0.086030453242083 L109A-L117A 0.0859047881849795 D224A-P263A 0.0847199227785058 T19A-S264A 0.08363115186714 L109A-V177A 0.082687672371903 G86A-L117A 0.0826250539984539 T217A-S270A 0.0820526416892677 S79A-Q123A 0.0820246475147037 T184A-S221A 0.0817878435774017 A180A-I219A 0.0815451879689251 L266A-V274A 0.0813093001889276 L22A-M262A 0.0808407029645448 C13A-S82A 0.0799538258731317 G103A-V183A 0.0799456622058516 I18A-G73A 0.0797875791875278 Q75A-R84A 0.0796631583657768 A25A-S264A 0.0795109006874473 N68A-R76A 0.0789241278668151 R173A-D224A 0.0786772169292518 L108A-A116A 0.0773966004898834 V223A-L266A 0.0773420680169636 N170A-N178A 0.0770176705219014 G105A-E181A 0.0766427697144003 S82A-T125A 0.0766345086206428 S221A-L266A 0.0763437698987506 R107A-V183A 0.0760233934768854 N174A-D224A 0.0755186444250127 A220A-G269A 0.0753346106314394 A172A-V226A 0.0750788327294973 V119A-P124A 0.0748548596491254 P21A-L70A 0.0748227749014047 S79A-V121A 0.0742541197946456 G86A-A120A 0.0738430958134533 T24A-S264A 0.0735201600132318 F20A-G69A 0.0734635430132604 V226A-L266A 0.0732204377823189 A180A-V218A 0.0728284716455354 A15A-L22A 0.0714709869066072 L108A-A172A 0.0712452058090722 T113A-V171A 0.0711024846750774 V226A-R267A 0.0708490707261167 D23A-S264A 0.0705089588710801 N170A-V223A 0.0701868114385824 A116A-N178A 0.069988550482492 Q123A-R173A 0.0691260587375288 V119A-N174A 0.0689332842929158 F20A-A72A 0.0681537804410028 A110A-V119A 0.0681249641800008 T24A-R267A 0.0679156939469067 S106A-T114A 0.0671818004189086 L70A-Q75A 0.0665430668601132 L109A-A118A 0.0659538612268971 C215A-V223A 0.065034151080633 A120A-R173A 0.0648570083876329 R64A-V71A 0.0646663591203576 M78A-T125A 0.0645169179918282 T24A-L266A 0.0641899124805182 S106A-L182A 0.0638097633180232 I104A-L109A 0.0636227809023628 T113A-N170A 0.0636129371949483 L17A-A72A 0.0635679199311201 S106A-C179A 0.0625663185686816 L17A-M78A 0.0623570844393573 Q123A-V171A 0.0622685606350743 A116A-I176A 0.0622078743738301 K227A-F265A 0.0613825153551868 S264A-N272A 0.0611296393242542 G111A-N170A 0.0603823216985183 L87A-G111A 0.0601395221566743 T217A-R267A 0.0596769961326791 T114A-A122A 0.0596117461549479 L17A-Q75A 0.0593596571468851 L87A-Q123A 0.0588235806816062 Q75A-V83A 0.0561172126915244 V226A-L268A 0.0554008182450687 A12A-L70A 0.0553542667441693 S112A-N170A 0.0551806784117688 V119A-D126A 0.0549867941077693 L108A-N178A 0.0547805688996061 A116A-P124A 0.05391956283116 V119A-R173A 0.0538266521546975 A122A-N170A 0.0537719911194912 I14A-T19A 0.0532485003942273 R173A-V226A 0.0530660385938075 A110A-L182A 0.0524957879482226 G73A-A81A 0.0522751886890349 A12A-Q75A 0.0518524726653221 L109A-I176A 0.0517881171411325 G105A-V177A 0.0516128035984451 G105A-C179A 0.0501432657670398 S65A-A72A 0.0500493960798805 G86A-V121A 0.0499501905025044 L74A-S82A 0.0499046361986819 A118A-N170A 0.0497142814173082 A220A-L266A 0.049561586465837 L108A-A118A 0.0494052777533849 G103A-N178A 0.0493144466694213 A120A-V171A 0.049068776302398 S221A-V226A 0.0487835754407984 L108A-L182A 0.0483847589543405 R173A-E181A 0.0482048068380361 A12A-V83A 0.0481708679285617 I85A-V121A 0.0478347748379004 A175A-A220A 0.0477846834325755 A220A-N272A 0.0477587461180597 I14A-N272A 0.0475945503841306 A122A-R173A 0.0474163982934162 L182A-A220A 0.0465876465853527 Y88A-V119A 0.0464219490252287 A118A-A175A 0.0458968187154393 K227A-L268A 0.0441904993008335 T19A-G269A 0.0441386456406976 I14A-M78A 0.0439515334281868 F20A-G269A 0.0439109222052174 D224A-S270A 0.0437815420280065 A220A-F265A 0.0434930551720623 L17A-G69A 0.0433979906713475 D16A-Q75A 0.0433541911528816 Y88A-A110A 0.0425633747209848 G105A-A110A 0.0424645212640709 S65A-G73A 0.0416716209707024 L117A-A172A 0.0411874364026059 F20A-V273A 0.0406888235526497 I104A-A180A 0.0402894509671228 L108A-A180A 0.0398713991451043 L74A-T125A 0.038525632697759 N178A-A220A 0.0384585949439413 R173A-P222A 0.038346558668561 T114A-Q123A 0.0383251087393869 N174A-V223A 0.0380148484800258 I14A-F80A 0.0376707826490366 Q77A-D126A 0.0376532288053002 D224A-W271A 0.0375182713395525 F20A-V274A 0.0361342917018141 T24A-S270A 0.0361222544412034 R76A-A122A 0.035970389530835 G69A-Q77A 0.0354617963223109 I104A-T184A 0.0352553415052821 L17A-G269A 0.0348016395986712 V183A-A220A 0.0338537656342233 L87A-A110A 0.0333020609327049 V218A-R267A 0.0332661152828644 F80A-A118A 0.0331382851014794 A15A-L268A 0.0327836281767152 T114A-A172A 0.032136563380968 I14A-L70A 0.0319699092081223 A180A-C215A 0.0309004981560168 R107A-V177A 0.0305638983673129 V177A-P222A 0.030537549794289 G111A-L117A 0.0304370630149453 M262A-W271A 0.0301931666019053 A110A-A175A 0.0295115690077226 C13A-A72A 0.0289959339031043 T114A-V121A 0.0285530314445079 V225A-G269A 0.0280387345941202 A118A-R173A 0.0277441684393693 A172A-P222A 0.0268753899198764 L266A-V273A 0.0265010070304035 L22A-L266A 0.026477973657828 P21A-F265A 0.0256551110741743 L109A-V171A 0.0255618591781102 A180A-D224A 0.024992054572704 C13A-F20A 0.0246066597448261 A15A-D23A 0.0235819059085876 G115A-I176A 0.0235285545120627 I104A-V177A 0.0235045073389344 A15A-Q77A 0.0233134720553623 A175A-A180A 0.0229046849733985 S106A-N178A 0.0228751606375601 F261A-L268A 0.0223550153200622 G103A-T113A 0.022333553212766 G86A-A122A 0.021902475829962 G115A-N170A 0.0216962347045562 I219A-V226A 0.0196834510678441 N170A-A180A 0.0189574950602838 R173A-V225A 0.0184665587200272 E181A-V223A 0.018297154465914 T113A-A122A 0.0182059186197403 A172A-A180A 0.0177804480285855 V223A-F265A 0.0175666872179541 A72A-D126A 0.0170511493846357 T24A-M262A 0.0162706769921726 Q77A-R84A 0.0160319431059626 S221A-S270A 0.0160114972280023 I176A-V226A 0.015871210354913 G115A-N178A 0.0157854887500406 R64A-G73A 0.0156864291766468 C13A-F80A 0.0152377618521271 I219A-V225A 0.0151841531120409 Y88A-G111A 0.0151555017614928 A12A-S82A 0.0149007870090516 I176A-A220A 0.0148565834848142 F20A-L70A 0.014835328963593 S82A-A122A 0.0147602594865366 G105A-T184A 0.0147029385320407 D23A-F265A 0.0146816211849936 C179A-T216A 0.0139357449184304 G69A-R76A 0.013853911200615 A15A-G269A 0.0131384279509508 T217A-V273A 0.0119561054135997 T216A-G269A 0.0108195314492421 I104A-N178A 0.0103537843453485 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