[Wed Aug 24 18:08:58 2016] >Input file: TM5D92ATD.pdb >TM segments: A0-48_A52-70_A85-104_A115-135_A145-163_A172-193_D23-48_D52-69_D86-105_D115-135_D145-165_D172-193 MAIDEN score = -160.2309 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 ----------- ---------------- V39D-I59D 2.83966930629794 A43A-V98A 1.86204739845352 A43D-V98D 1.75798114274946 P48D-W105D 1.40528998991127 F46A-W54A 1.14385749504558 F46D-W54D 1.13580150355889 I115D-L174D 1.12522724598101 I115A-L174A 1.11050999672823 F99D-L123D 0.901392407680044 L118A-L177A 0.894797980142495 V31D-D66D 0.887636886440883 D95D-L154D 0.861194608224765 D95D-L123D 0.860335223987153 F99A-L123A 0.855327631051247 D29A-L86A 0.847570650839972 L86A-D91A 0.845479480604446 L118D-L177D 0.842050790279713 T56D-L158D 0.837874108008354 L52A-T161A 0.83237713307274 D29D-L86D 0.826747492470927 D95A-L123A 0.825095010596722 F53A-T161A 0.817027702341948 L118D-I178D 0.811616444610435 L118A-I178A 0.808872577586026 F53D-T161D 0.807848870743998 T36D-F62D 0.805224734842 D95A-L154A 0.788057399788162 L86D-D91D 0.785431021926868 L125A-V185A 0.742630439804858 L21A-V26A 0.736355796322053 V145A-Q190A 0.733591238176436 V103A-L120A 0.732217094924199 V103D-L120D 0.730398394524671 F99A-C122A 0.70749103901888 V129A-T187A 0.698121115480085 S132D-I188D 0.685223974835755 T36D-L90D 0.680793373602004 F53D-V164D 0.672525587309634 V31A-D66A 0.669001109239458 A134D-Y131A 0.665566265706872 L125A-A181A 0.659152887905128 V129D-T187D 0.655776189677909 G35A-F62A 0.649025850406868 T36A-F62A 0.648573538609878 S132A-R191A 0.634418808873901 W105D-A116D 0.631882131850217 G35D-F62D 0.631706672425253 S126A-S184A 0.631367634259371 I147D-A183D 0.631203678801012 L125D-A181D 0.631187794761525 V103A-A116A 0.63077322176343 L125D-V185D 0.627424689060842 Y131D-A134A 0.622666672607404 V129A-I188A 0.620276212289404 F99A-A119A 0.618877011159455 F99D-C122D 0.618564940042841 I102A-A116A 0.615977287564024 V39A-F62A 0.615032440760704 V39D-F62D 0.614797731427064 S126D-S184D 0.611060877678316 A43D-I59D 0.605295717197003 A43A-F99A 0.597734223865855 Y89D-L128A 0.59373946938541 S132D-R191D 0.593278519921159 T36A-V63A 0.58045481782156 V103A-I117A 0.575006437029674 T36A-D91A 0.564561030742886 V39A-I59A 0.563324882511609 V31D-I68D 0.559059807504804 F46D-G55D 0.554450098673839 V103D-I117D 0.554003896924334 I121A-A181A 0.547964755372788 F99D-A119D 0.546375800284361 Y47D-I102D 0.540674178805626 A43A-I59A 0.524827495606229 Y47A-I102A 0.518898585826866 R7A-I13A 0.517740517704731 A160D-V172D 0.513183615543337 T36D-D91D 0.507641192712553 A41A-V58A 0.507402917838829 A43A-T100A 0.506334734538299 S96D-S127D 0.505672180055388 A43D-T100D 0.503858970568504 R135D-F85A 0.500978660036549 S96A-S127A 0.499699054096617 V31A-I68A 0.49827480781833 A43D-F99D 0.496383948531887 P48A-I104A 0.490911618615971 A41D-F46D 0.490534148358213 A41A-F46A 0.48952447718518 T36D-V63D 0.489112224264779 F64D-D69D 0.486977308465553 L128D-Y89A 0.486913065042942 I102D-A116D 0.485230400370048 L128A-I188A 0.479430174766104 S132D-Y89A 0.47827435676687 F64A-D69A 0.474916292985193 V39A-S97A 0.473978685635177 A160A-V172A 0.47335338181735 I147A-S184A 0.472856190908795 A43A-T56A 0.466312439233917 G42A-Y47A 0.463609434523492 I147A-A183A 0.460905486443689 I115D-L173D 0.460420689587578 G42D-Y47D 0.459028156698371 P48A-I102A 0.458806981985608 V129D-R191D 0.457289398004051 A43D-T56D 0.455570794130398 G35D-F64D 0.455290694915824 T161D-L173D 0.454796661464989 I115A-L173A 0.454714953701509 P48D-I102D 0.454046827358944 S132D-V192D 0.451715807061381 I45A-G101A 0.451124670015383 S96A-S126A 0.450232869313016 G146A-I188A 0.448410247012533 G35A-F64A 0.446408523239509 F46A-G55A 0.44589144462063 V129A-R191A 0.445103033831778 C122D-L180D 0.441872442544783 F99D-L120D 0.436177161309659 A148D-S184D 0.433098016798945 L128D-R92A 0.432718078504511 F46A-L52A 0.431632345577169 C122A-E149A 0.430885621626729 S132A-V192A 0.430491864414197 C122A-E152A 0.429313941868186 V57D-G162D 0.428415329977408 P28A-I68A 0.428017826548042 P28D-I68D 0.424112226937178 F46D-L52D 0.423467207875635 R92D-L128A 0.423218330866493 S96A-L123A 0.422499424051537 S96D-L123D 0.421063110253653 C122D-R150D 0.417770939806351 R92A-C122A 0.417530836131889 A41D-V58D 0.414608564510704 L21A-S27A 0.414509728822462 L125D-S184D 0.414477385439882 S127D-Y131A 0.413722137567112 F53A-L163A 0.410065502877236 R153A-L158A 0.409795079316961 C122D-E149D 0.409573302832056 S127D-S127A 0.409105132023305 F53D-L163D 0.408350455654801 R150A-V155A 0.407429951161261 S1A-F10A 0.407301570636907 F99A-L120A 0.406834140587606 I45D-G55D 0.405412113617111 A43D-P48D 0.404192772036114 V164D-V172D 0.403540955207487 G146D-I188D 0.402649374902825 R92D-S127D 0.401990140734615 V93D-L128A 0.399159273937929 R92D-C122D 0.398627581237633 R153D-L180D 0.395433762161913 S130D-Y131A 0.395293582784388 R153D-L158D 0.393566656648041 V129D-I188D 0.392716738348006 A43A-P48A 0.39217471540145 R150D-V155D 0.391458838241706 M40D-W54D 0.391392831676791 A160D-V176D 0.391191489986006 A160A-V176A 0.387681588858073 Y131D-S130A 0.387422228556067 V145D-T187D 0.385634049850724 V157D-L173D 0.383816573293716 M40D-S97D 0.382210136491477 R92A-S127A 0.378263791233559 S96D-S126D 0.377408198856461 P48D-I104D 0.37496095113594 I45D-G101D 0.374244082241446 I104D-I117A 0.369612830016023 I45A-G55A 0.369195175781911 I104A-A116A 0.368347230099415 V129A-V185A 0.366861371010246 V164D-L173D 0.366556487623599 L125A-S184A 0.364107623628716 A119A-L177A 0.362043406141713 C122D-L177D 0.36117559918377 V57A-G162A 0.360910959698982 C122D-T187D 0.360673261852868 T32A-L86A 0.360626916559377 M40A-W54A 0.358968720099893 T32D-L86D 0.358767077265432 G38A-I59A 0.35842908565858 V157A-L173A 0.358419338796147 G35A-Y89A 0.35745396409663 Y131D-V185D 0.357032459114245 C122A-T187A 0.356398783393235 A119D-L177D 0.355446191921393 M40D-I59D 0.354758744942249 G35D-Y89D 0.354242715127203 L120D-T100A 0.353426461226064 I121D-A181D 0.353293442948873 Y89D-S132A 0.351230107884524 L118A-A181A 0.348492139565271 K133D-A148D 0.345469968843215 V186A-R191A 0.343074863098719 I104D-A116D 0.342331673592288 I117D-I104A 0.341768064760758 Y47A-I104A 0.339910243131863 I147A-T187A 0.339314900073149 V186D-R191D 0.338334946307006 R92A-S130A 0.338286574369565 G42D-V57D 0.337811922382601 Y131D-S127A 0.337583569183326 V39D-D66D 0.336800406046638 L118D-L174D 0.334240655762104 L118D-A181D 0.333569538310032 V61A-D66A 0.333057842014464 L52D-T161D 0.332631616315844 Y47D-V157D 0.330864569970388 V61D-D66D 0.33001129543399 T100A-L123A 0.329365483272682 T100D-L120A 0.32803683450928 V157D-V176D 0.325443709779556 F14A-I68A 0.324910753061034 M40A-G94A 0.322939257245573 D87D-R135A 0.322742217043165 V157A-V176A 0.320198153641334 I17A-I68A 0.318081755970305 V39D-T60D 0.317380993931477 D95A-V155A 0.315304280034404 S97D-A119D 0.315233088793285 G35A-G70A 0.315066685891249 Y89A-R150A 0.309972366818299 S88D-A134A 0.309120097689123 V39D-S97D 0.308982679411399 T60D-L158D 0.307704054265819 V157D-L177D 0.307333118892761 F99D-C122A 0.307033257011722 T60A-L158A 0.306585118217515 L44D-T100D 0.306047407264081 V103D-I115D 0.305983991069788 D29D-V34D 0.305403016218264 T100D-L120D 0.303957022837059 L44A-T100A 0.303409645628995 V156A-V176A 0.302940852241918 T32D-L90D 0.299897392940699 V39A-D66A 0.299368114246677 L118A-L174A 0.299345986058369 T100D-L123D 0.298917020959988 V157A-L177A 0.298224064767556 T100A-L120A 0.297583735406634 C122D-V156D 0.297439502552199 V103A-I115A 0.297158529006928 T32A-L90A 0.296782092134359 F53D-G162D 0.296743765239905 L52D-V164D 0.296646042739267 T36A-L90A 0.296035578788173 A30D-D69D 0.29566480766241 G94A-S127A 0.295639905028367 Y131A-V145A 0.295410892534724 L128D-I188D 0.294964144846592 P48D-T161D 0.294268983658229 M40A-S97A 0.294187884877759 S132D-G146D 0.294094217579513 K133D-S184D 0.294011284259174 A148A-L180A 0.2914465748654 Y131A-Q190A 0.291062613731185 G146D-V186D 0.290239941180371 G146D-L193D 0.289838256126548 P48A-T161A 0.289519220589605 L44A-V98A 0.288646102229003 G94D-S127D 0.286069968032197 M40D-G94D 0.285634586670448 M40A-I45A 0.284083781429998 L90D-D95D 0.283021101124417 G42D-L158D 0.282979096172077 V31D-S65D 0.280179222209952 L128D-V93A 0.278536306389727 G94A-L123A 0.277638024152288 I102A-A119A 0.277220531639555 A22A-S27A 0.277002144055182 G42A-W54A 0.276878736665205 I115A-L177A 0.276611997340499 A134D-R135A 0.275805643708836 D29D-V192A 0.275296368532817 D66A-R150A 0.275267945942857 G42D-W54D 0.275053819796488 C122A-L177A 0.274605244589925 V33D-L90D 0.274503569038839 G38D-L90D 0.273179511577986 D87D-G94D 0.273108390367899 I147D-T187D 0.272066835928372 D95D-V124D 0.269148492737224 D66A-G94A 0.269134075631233 D91D-Y131A 0.268958424175532 D87A-G94A 0.26843262608309 S65D-G94D 0.267976815863129 V26A-V31A 0.267955253132016 T56A-L158A 0.267729550302846 A148D-T187D 0.266807841159566 V103D-A116D 0.265920678524243 D95A-V124A 0.264559794416247 R92D-A134D 0.264419578426404 D95D-V156D 0.262829421606709 G94D-L123D 0.261936653621728 V98A-V157A 0.261799466251502 C122D-E152D 0.261558110640411 D91D-V124A 0.261367377390904 R92D-S130D 0.26056122519393 D66A-R92A 0.259997376053506 V145A-T187A 0.259334243812667 S65A-G94A 0.259146471959209 G38D-F46D 0.25908602859521 S130D-A148D 0.258970384754229 G146A-L193A 0.258323399231807 G94A-S126A 0.258292995929748 Y47D-I104D 0.25798917676017 S97A-A119A 0.257290014223356 C122A-L180A 0.256945576345574 Y131D-D91A 0.256524029272017 L44D-V98D 0.256357272700051 T32A-D66A 0.256293236075054 C122D-V93A 0.255842428049336 R92A-A134A 0.255425309856334 V34A-F62A 0.255192154763838 V33A-L90A 0.255134725779094 W54A-G162A 0.254664567681035 A11A-R19A 0.253589360205635 I115D-L177D 0.253032156177477 M40A-I59A 0.25230901053098 D66D-Y89D 0.252291020173518 T100D-A119D 0.252188708373613 G38A-F46A 0.252075711706647 L90A-D95A 0.25162569331892 T32D-D87D 0.251119210962203 Y89A-S127A 0.249048355987491 Y89D-S127D 0.248976887316099 A12A-R19A 0.24840335146647 T32A-D87A 0.247700381874964 S88A-Y131A 0.247643555243819 V31A-S65A 0.247351731400729 D23D-D69D 0.246899081970869 M40D-I45D 0.246151122859859 K4A-A12A 0.245948949136177 Y131D-R92A 0.244549792385515 V39A-T60A 0.244073602436218 A18A-D23A 0.24388001808919 M40A-R92A 0.243559225957904 T36D-V93D 0.243024643651235 L125D-T100A 0.242216034966468 V124D-D91A 0.242183351311463 D23A-D69A 0.242095411833269 T100D-L118A 0.241998706581683 P28A-G70A 0.241329475190415 D91A-V129A 0.240896537691913 T36A-T56A 0.239751663178219 V34D-S65D 0.239457359891639 P48D-W54D 0.238673759157493 S126D-Y131D 0.238530120982949 G38A-Y47A 0.237304728278744 P28D-D69D 0.236581089097041 P28A-D69A 0.236352335576625 Y47A-V157A 0.234923135451332 R135D-D87A 0.234571166496545 T100D-L118D 0.234300532557103 V26A-I68A 0.233329218282756 I121D-V103A 0.232588291887549 M40A-D66A 0.232458042945447 A134D-R191D 0.232321545146033 V39D-V98D 0.232114790835853 A30A-D69A 0.231839902649872 T36D-T56D 0.231611958501275 V33D-I68D 0.230714489388159 I102D-A119D 0.23057729429647 L44D-T56D 0.230225881483727 G38D-Y47D 0.229417429472937 K133A-R150A 0.22921685861056 Y131A-V185A 0.229053281344232 W105D-G165D 0.228895817989348 Y5A-A12A 0.228559333075488 M40D-R92D 0.228263074390855 L44A-T56A 0.228193737327968 T56D-T100D 0.227767488843703 V63D-D69D 0.227697267844198 G38A-V58A 0.227574185619948 W54D-G162D 0.227147342165108 T36A-V93A 0.226857510162048 Y131D-R135A 0.226721034031179 G42A-L158A 0.226524650943452 E152A-V157A 0.226274714776367 D91D-V129D 0.225625500273893 V192D-D87A 0.225235397342281 K133A-S184A 0.224985536161589 T100D-L125A 0.22454921800612 S126A-Y131A 0.224543133483445 G35A-D66A 0.223544364208266 A148A-R191A 0.22251063152859 A134D-S88A 0.220997547589164 G35D-V93D 0.220367948031937 S88A-S97A 0.220254785553558 S96D-S151D 0.220118411350778 V63A-D69A 0.219626311632018 K133D-S88A 0.21921972958314 G55A-V159A 0.219099849206126 G35D-D87D 0.218956532597223 V34D-G94D 0.218794140778138 D66A-D87A 0.217777585064979 K133D-S130A 0.21709541642045 G70A-S88A 0.217045821675756 G38D-V63D 0.2167940624227 G70A-D87A 0.216049833680303 V156D-V176D 0.215539943143988 C122A-I188A 0.214811383135542 R153A-L180A 0.21463753853397 G35A-V93A 0.214483710566639 S27A-G70A 0.214408356508148 E152D-V157D 0.213747994832148 C122A-A181A 0.213582729277009 G42A-V57A 0.213329822935851 V34A-F64A 0.212607500161672 C122D-I188D 0.212485346027015 S130D-K133A 0.212469525858014 V26D-V31D 0.21231240252966 D66A-L90A 0.212134348513751 G38D-I59D 0.211993459087315 R92D-Y131A 0.211905143717494 V93D-S126A 0.211193542600507 S127A-V185A 0.211173002291457 S88D-S97D 0.210883437995117 C122D-F99A 0.210790011160716 V156D-L173D 0.210507764206674 V34A-G94A 0.210264435896967 L120D-V103A 0.210215880953263 T32D-I68D 0.21012115383085 S130D-Y89A 0.209939118159919 P48A-W54A 0.209760705587414 G94D-S126D 0.209647049385469 G38D-S97D 0.209602143704218 A148A-T187A 0.209549123973734 S97A-S130A 0.209484527939213 V159D-L173D 0.209483600781706 A43A-I102A 0.208862760456066 T32A-I68A 0.208857027799834 Y47D-W105D 0.208600554225181 G25A-V31A 0.208398914466298 V34D-F64D 0.207792779452293 V98D-S126D 0.207704363467862 W105D-I117D 0.207558941065514 V159A-L173A 0.207059231227571 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