[Mon Aug 29 16:40:25 2016] >Input file: TMQ5T4D3S4G.pdb >TM segments: A535-547_A549-562_A565-577_A616-659 MAIDEN score = -10.1318 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 ----------- ---------------- I625A-V640A 2.0400328664898 I625A-A637A 1.45399636271972 I625A-Q636A 0.94315549290117 L628A-N633A 0.912357281294511 L539A-L556A 0.888675451584439 I625A-E638A 0.812425592536812 H617A-L647A 0.793413711348866 V543A-F549A 0.752922949286762 L539A-W553A 0.735610654610957 L645A-L654A 0.720332306274093 W621A-V640A 0.686067815321065 L628A-L634A 0.660325421776706 A644A-L654A 0.632688173004666 V543A-W553A 0.618334175749289 I626A-S657A 0.60779687130175 V559A-A569A 0.606399862067462 R642A-L654A 0.595272655432556 L556A-A569A 0.593953507138983 L619A-A644A 0.581216810444063 S618A-L645A 0.569308388928826 R642A-I648A 0.568321146233665 I558A-A569A 0.550241369072975 F549A-A576A 0.547282935815246 M624A-A637A 0.540371357762426 A542A-F549A 0.526491879640368 L645A-M655A 0.52127372906892 L628A-A637A 0.513867332293813 E616A-P649A 0.48595540596439 I558A-R565A 0.484736429029116 M554A-S572A 0.479861698140258 L645A-N650A 0.472043274785936 D651A-F656A 0.467459771586271 D629A-Q636A 0.46739363846936 M554A-A576A 0.44521808593547 W621A-G641A 0.444970735366339 W553A-Y573A 0.444882816130548 E536A-V559A 0.44155109389254 W553A-S572A 0.438811922109345 A542A-P547A 0.424979264990677 R642A-L658A 0.423660750000558 S540A-L556A 0.413050870233482 N561A-A568A 0.410998124632989 L539A-N555A 0.410690186335842 D629A-L634A 0.405855496822436 A644A-D651A 0.39539318509065 A550A-T575A 0.379281116663987 G557A-Q571A 0.37520340066927 A542A-A552A 0.366515894035389 D629A-E638A 0.354063099777739 V559A-R565A 0.353124500356682 L627A-A637A 0.347442787558564 L556A-S572A 0.340880257824717 Q560A-A569A 0.334349863248875 E536A-Q544A 0.333669754116195 N555A-R574A 0.330563294261036 R642A-D651A 0.327968017375049 G641A-M655A 0.327336288922593 G632A-E638A 0.326457191837602 A535A-G557A 0.321297689642793 S618A-H652A 0.318800112120533 N622A-P649A 0.307866768503884 S618A-I648A 0.30471136282738 V543A-A552A 0.299076339671602 I626A-A637A 0.288215010310201 A637A-L658A 0.284994102367707 V543A-Y573A 0.28296456640336 E537A-Q560A 0.280294525922825 R642A-L647A 0.273561968722739 A637A-A659A 0.273129621559406 V640A-D651A 0.268406423446706 A644A-S657A 0.265858648976256 S618A-N650A 0.263318935386704 A620A-A644A 0.261437151462893 L619A-H652A 0.26016257186593 P547A-Q571A 0.259980188198286 R565A-Y573A 0.259365777585502 S618A-A644A 0.258175937704446 M624A-D651A 0.25770757149141 N623A-E646A 0.255126484285481 S618A-L654A 0.254048284441468 E537A-L556A 0.24859736302293 M624A-R642A 0.24000071198748 H617A-A644A 0.237192349718457 S562A-A568A 0.234276312638326 N623A-L628A 0.233507015162074 N623A-S657A 0.231083463814468 A644A-P649A 0.228690865252114 S540A-N555A 0.224507919402868 N555A-S562A 0.223914728346086 I625A-R642A 0.217385062231145 S618A-A639A 0.216317138462875 Q636A-E643A 0.210677896517195 P547A-Y573A 0.205130093261299 S540A-G557A 0.203132924173392 G641A-D651A 0.202716175299562 G641A-L654A 0.200966957730518 N623A-R642A 0.200448946993604 L541A-N555A 0.199143312803591 A551A-A576A 0.198981397840709 D629A-A635A 0.197786503433544 G557A-E570A 0.195918225756871 L619A-D651A 0.195525591101512 N623A-M655A 0.195249963013102 N633A-L658A 0.194782114314998 R642A-N650A 0.194711953678067 V640A-L658A 0.194510286211293 N555A-T575A 0.193631318553478 A535A-S562A 0.193571725824538 M624A-V640A 0.192746536402187 N630A-L658A 0.191607543272639 L538A-M554A 0.190421808374702 N622A-D651A 0.188169262333593 E616A-N650A 0.186836512533047 N623A-F656A 0.18627363735601 N622A-L627A 0.185778923136514 G641A-N650A 0.182724240479216 L538A-P547A 0.178701359125441 E616A-W621A 0.177134627083517 N633A-G641A 0.177130746079001 D629A-G641A 0.175795898338065 N622A-L658A 0.174409065470615 G641A-H652A 0.173795110403872 S540A-A569A 0.171138595825355 N623A-D629A 0.171006556300566 E638A-H652A 0.170373500469427 A535A-L556A 0.16905047137938 V640A-A659A 0.168058478814309 Q546A-T575A 0.166521437685089 L619A-P649A 0.164906558980729 S540A-A568A 0.163026613012844 I626A-A639A 0.161195216891632 R642A-S653A 0.160480232638829 N622A-H652A 0.159828383913975 E537A-R565A 0.159707177141087 I545A-A552A 0.159625157290751 W621A-M655A 0.159602086730228 E616A-A644A 0.159068950364979 W621A-L647A 0.158111767881288 W621A-L654A 0.15767119669414 V559A-E570A 0.157464714687288 E537A-V559A 0.156526078832152 W621A-E643A 0.15569796772495 E638A-A659A 0.15464590761081 D629A-A639A 0.151895962898785 W621A-D629A 0.148809783990357 W621A-S653A 0.148516259801485 S540A-Q560A 0.147316826208598 N623A-N633A 0.146093774589532 W553A-T575A 0.145892661310812 E537A-A542A 0.143452960399488 R565A-R574A 0.142640639508989 E646A-S653A 0.141985694815379 Q560A-R574A 0.141501840906471 V640A-L654A 0.140077100057795 N622A-N633A 0.139003346758516 S618A-E643A 0.138864626413855 V543A-V559A 0.137094954609682 W553A-N561A 0.136961495565693 N622A-E646A 0.136888665005819 I626A-L645A 0.136026760653151 W621A-D651A 0.135731501370874 G641A-L658A 0.13530381403105 A620A-R642A 0.134988318095063 L627A-G641A 0.134912554140946 A644A-H652A 0.134720313380527 L628A-Q636A 0.134389344468031 N555A-Q560A 0.133306220863477 T631A-E638A 0.132955624891514 A551A-A569A 0.132557294654466 A644A-A659A 0.131743615685862 N622A-D629A 0.129982984400951 S618A-E638A 0.129824678817451 G641A-P649A 0.128439137591223 E616A-G641A 0.127673184903836 L645A-D651A 0.126889909770285 A552A-Q571A 0.124115895469083 A551A-R574A 0.123426511749716 Q546A-S572A 0.123393755193487 E536A-E570A 0.12338698611907 A620A-H652A 0.122664116073747 L619A-L658A 0.12254649611345 I626A-E643A 0.120463829707301 S540A-V559A 0.120222443767272 N622A-L634A 0.119459158469201 M554A-E570A 0.119405100260768 Q636A-A644A 0.119201434472547 S618A-E646A 0.11853543751417 M624A-G632A 0.118023849065276 I545A-A550A 0.117738586486682 N623A-A639A 0.117312174996955 A620A-L645A 0.116336816500053 N561A-R574A 0.116295667091197 W621A-L645A 0.115239766716075 I558A-T575A 0.115020241918782 V640A-S653A 0.114110089844589 L538A-A550A 0.113740691573659 E537A-G557A 0.112268204926847 P547A-L556A 0.111882452160186 S540A-A550A 0.111168432337793 W621A-A644A 0.109506011190927 A635A-L654A 0.109409219293227 I625A-N633A 0.108565851015622 A639A-A659A 0.107991981772416 A550A-V559A 0.107832227356967 P547A-R574A 0.107751471527022 E643A-S653A 0.106773061087128 A552A-R574A 0.106731886640057 N561A-S572A 0.106513439468636 Q544A-A550A 0.105707281131549 L628A-L658A 0.105568821439467 A550A-A569A 0.104844591914619 A542A-S572A 0.103390018081349 A639A-L654A 0.103371104696533 A535A-S572A 0.102986614107806 N622A-A659A 0.102047006431103 A535A-I558A 0.101398447218216 A637A-S653A 0.100882849937559 L628A-S657A 0.100532532652686 E638A-E646A 0.100500565474451 L628A-L654A 0.0998787236349994 L628A-A659A 0.0993334705206674 A535A-A551A 0.0978197636351839 A550A-I577A 0.097684540819639 I648A-L658A 0.0968864500739119 L541A-Q546A 0.0965430125286222 L539A-Q544A 0.0964735411263344 S618A-S657A 0.0964332033992887 W621A-S657A 0.0963196011468803 V543A-A569A 0.0963177309478636 A568A-T575A 0.0958618340742654 A535A-V543A 0.0956774542390164 A639A-P649A 0.0956158459487422 N650A-L658A 0.095125423535368 L539A-Q571A 0.0945788284512838 A620A-P649A 0.0945312866483317 E638A-L654A 0.0938968207483061 A635A-S657A 0.0935477899393402 I625A-A639A 0.0920630429937228 D629A-A659A 0.0903119705433895 Q546A-L556A 0.0897717835801104 L634A-A659A 0.0896333585753406 E537A-I545A 0.0882854562151207 L538A-G557A 0.0878819088013598 L627A-S657A 0.0876008936511212 A639A-L647A 0.0872372437491782 A551A-V559A 0.0865689805592198 L619A-S657A 0.0864464326654524 V543A-N555A 0.0860990704748885 E643A-L654A 0.0860935029925334 L628A-R642A 0.085957738164546 L539A-A569A 0.0858865383005252 L634A-L654A 0.0854412705599454 N623A-L654A 0.0839230548163572 G632A-V640A 0.0837055149099178 M624A-D629A 0.0832904750945107 L627A-L658A 0.0829215133147527 M624A-A635A 0.0825574913733359 L538A-A551A 0.0822539732616745 R565A-S572A 0.0820434794375258 S540A-T575A 0.0818127277330398 Q560A-F566A 0.0815106214563439 I625A-M655A 0.0813797255928308 I545A-L556A 0.0802872261353387 V559A-Q571A 0.0800656180607953 A620A-A637A 0.0789589049886619 M624A-L645A 0.0769824904126379 E638A-M655A 0.0767113001936881 G557A-Y573A 0.0764370104112393 A639A-S657A 0.0763311424734212 L627A-L654A 0.0762435919626054 L539A-A550A 0.0757692088884347 N630A-A635A 0.0755187588518784 G632A-G641A 0.0748441921096836 A620A-I648A 0.0748382204876838 V559A-Y573A 0.074527913103215 N622A-N650A 0.0737994565207267 E536A-R565A 0.0727190661834278 A552A-Q560A 0.0717964030592164 N633A-V640A 0.0715237994218385 A550A-A576A 0.0709836618655264 A550A-Q571A 0.0704484187285392 M624A-E646A 0.0703829403739378 V543A-Q571A 0.0700863391149095 I625A-S653A 0.069394012056389 N622A-N630A 0.0685932713470396 E616A-N622A 0.0684965765004359 E616A-N623A 0.0684919303640656 N630A-F656A 0.0683706120567136 E643A-H652A 0.0681662149255811 I626A-Q636A 0.0678582057032049 N622A-L645A 0.0677140058094334 E643A-M655A 0.067399191758412 H617A-A639A 0.0672301149790799 D629A-L654A 0.0671526629236761 I625A-N630A 0.0670803357245857 A635A-A659A 0.0670375992344758 S540A-I558A 0.0669679802094607 P649A-L658A 0.0669109183551644 N630A-V640A 0.0668686424006977 D629A-M655A 0.0656759166616059 L541A-W553A 0.0644151797105765 I648A-F656A 0.0619596497518667 E638A-F656A 0.061918692747676 N623A-G632A 0.0618569621077588 A568A-A576A 0.0617560615715202 A535A-R565A 0.061655857125205 A620A-E646A 0.0610689661536385 N561A-Q571A 0.0607746152520505 P547A-M554A 0.0600249046878722 I626A-R642A 0.0592578167182104 A542A-V559A 0.0576217438615263 N622A-V640A 0.0570992643226314 A535A-M554A 0.0570417918802471 N622A-F656A 0.0567180211421109 I558A-A576A 0.0560082842879595 N555A-F566A 0.0553659591835256 N555A-I577A 0.0548819335422173 H617A-G641A 0.0544082360454574 L539A-A568A 0.0541351477263263 I558A-R574A 0.0530467677387254 I648A-S653A 0.0529074373272321 L556A-I577A 0.0516386201103261 N630A-Q636A 0.051069530483935 L647A-L658A 0.0504870183227997 S562A-Q571A 0.049778201764954 N622A-L654A 0.0496653875226558 S540A-A551A 0.0494084673157502 L538A-I558A 0.0490103628763023 L645A-S657A 0.0489658481452198 L619A-L647A 0.0488287867794788 V640A-P649A 0.0483714030424895 E536A-A568A 0.0481879539431089 L645A-L658A 0.0476031268918179 A620A-A639A 0.0475827881011863 M624A-E643A 0.0473166433560055 T631A-S657A 0.0472389766621713 M554A-F566A 0.047130199667567 G641A-S657A 0.0469768313995327 L619A-A637A 0.0468669181713559 I558A-F566A 0.046372453508349 L539A-S572A 0.0462939614678151 Q546A-A551A 0.0459688417278097 A635A-E643A 0.0450212170204667 Q546A-A576A 0.0447865438748991 I626A-L654A 0.0447219864614934 I626A-T631A 0.0445432809013973 A535A-N561A 0.0435677801114123 N650A-F656A 0.0435352315685897 Q544A-L556A 0.0432620929001164 A542A-A576A 0.0429708519928136 L619A-L627A 0.0428371183220611 A620A-S653A 0.0422965665323316 W621A-F656A 0.0421223476728722 R565A-Q571A 0.0418563493796347 Q636A-L654A 0.0416328182844952 E646A-M655A 0.0413668445602333 M624A-I648A 0.0410948492608263 A620A-L628A 0.0399370455212624 N555A-R565A 0.0397303359071302 F566A-T575A 0.0395950439502624 W553A-A576A 0.0392514393246226 L556A-N561A 0.0391276369230167 E643A-I648A 0.0387731174491268 V543A-T575A 0.0387661418753495 I625A-L647A 0.0381389837039379 N555A-A568A 0.0381237110896288 N650A-S657A 0.037861113513598 V640A-F656A 0.0377476152946038 L556A-T575A 0.0369252630972756 L539A-Y573A 0.0362885968292943 V543A-A576A 0.0350072149163063 G632A-A639A 0.0349825386959419 S540A-P547A 0.0338809336241264 A620A-L658A 0.0338181604273675 L541A-A551A 0.0330409771604198 D629A-S653A 0.0327473117339426 G557A-A568A 0.0326577747099241 L539A-A576A 0.0326478270455122 Q544A-S572A 0.0322482771411174 N630A-S657A 0.0322393148191655 I626A-A635A 0.0311649543516923 L538A-L556A 0.0310014774762291 E537A-Q544A 0.0299573128041315 L627A-E638A 0.0297683033701905 M624A-E638A 0.0295783152299272 R642A-S657A 0.029100743369709 E616A-R642A 0.028653108103966 S618A-M655A 0.0284375605649964 N622A-T631A 0.0281272004949313 S618A-A637A 0.0280810633646293 H617A-I625A 0.0275183405263322 V559A-E567A 0.0273079448664908 L538A-Q546A 0.0272198806451511 P649A-A659A 0.0270443662829498 I626A-A644A 0.0262964888204493 P547A-T575A 0.0262396896213248 R642A-F656A 0.0251912327890282 N623A-D651A 0.0239893541446936 I558A-I577A 0.0238219495821026 L627A-N633A 0.0230269890009033 R642A-M655A 0.022494954218391 W553A-E567A 0.0222022407296949 G557A-I577A 0.021898253527674 L541A-V559A 0.0210520668192282 M554A-T575A 0.020866977126266 L647A-H652A 0.0202266460097669 L619A-R642A 0.0197298564153794 T631A-G641A 0.0195474244575704 N623A-A635A 0.0189574950602838 N633A-A659A 0.0189574950602838 N623A-N630A 0.0187801741620978 E537A-M554A 0.0187770865125105 H617A-L654A 0.0177442093193791 L628A-A644A 0.0176407952922863 Q544A-W553A 0.0168417356516191 N633A-R642A 0.0166026706393776 A542A-G557A 0.0165034983403234 A620A-N650A 0.0164494592370374 L539A-A552A 0.0161805673539734 L619A-L628A 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