[Thu Aug 25 00:21:40 2016] >Input file: TM4CL4ATG.pdb >TM segments: A34-49_A72-86_A102-115_A150-168_A187-201_A224-238_A344-357_A392-412_A415-431_A472-485_A503-517_A548-561_B35-52_B74-88_B102-114_B150-165_B192-205_B223-237_B346-358_B386-402_B422-434_B469-483_B503-517_B546-559 MAIDEN score = -105.2702 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 ----------- ---------------- C85B-G161B 10 C85A-G161A 10 I423A-I479A 10 I350B-T506B 2.41177216360746 I102A-V163A 2.00694413762836 I102B-V163B 1.995217689652 M36B-F235B 1.86222300106801 I350A-T506A 1.84630605962043 E44B-I228B 1.30091492510558 T348A-L554A 1.26718422012335 C407A-N412A 1.26043248389877 I350B-L509B 1.22833678737084 I37B-F235B 1.22784156139063 E44A-I228A 1.22748011462627 I350B-L507B 1.22743023002142 I37A-F235A 1.22308633620483 I423A-L478A 1.22059588108235 I350A-L509A 1.21881342566896 L392B-I474B 1.19601823278467 I104A-L236B 1.13438105080256 M434B-L547B 1.13224440191468 C85A-T160A 1.12265146820337 I350A-L507A 1.12255186881548 L236A-I104B 1.11671087347345 L392A-I474A 1.10158106621328 C39A-E44A 1.09750929347907 T80A-Y154A 1.0549689877129 W353A-F511A 1.05078663011225 L420A-Q483A 1.02767483546958 C85B-T160B 1.01266956274962 I37A-V167A 0.997808749776358 F352B-V550B 0.97286206907565 W353B-F511B 0.972635091792069 I40B-I228B 0.949809529299124 M36A-F235A 0.945288147510873 W353A-L507A 0.932224811934868 S431B-L547B 0.898840372889159 L86B-L504B 0.890359951574978 F82B-L504B 0.885702559733526 L84B-L158B 0.882423019551648 T80B-Y154B 0.8620886028384 V43B-I228B 0.86040652495336 I423A-Y480A 0.857500128084149 L84A-L158A 0.853873000487053 F429A-V472A 0.831867885577807 F429B-V472B 0.830196697393828 W346A-L503A 0.828547932565505 W353A-L509A 0.827206079116542 I102A-V167A 0.815132216259368 I423B-L478B 0.810278807582285 V205B-V386B 0.807544753291991 Q109A-I228A 0.804302839597723 F82A-L504A 0.804252859255488 I40A-L232A 0.786425307466799 W353B-L507B 0.785000733880429 E44A-C224A 0.783126832655437 I108A-L155A 0.772650800697049 W353B-G510B 0.77249609431019 I108B-L155B 0.771292373507533 V43A-I228A 0.764162292291088 L86A-L504A 0.762637484825979 L392B-G473B 0.754806340126676 F105A-V163A 0.740155398384367 E41B-V163B 0.735713078835828 L38A-V167A 0.734857355740024 M36B-V234B 0.733622849578389 C85A-L504A 0.726067946600861 L484A-L503A 0.723270369561424 L46A-C224A 0.722731958947409 E44B-V163B 0.721198515919922 L425A-L478A 0.720044321498719 L351B-V550B 0.717084996335522 T48B-T160B 0.713063395235049 I102A-G162A 0.710534678488778 F105B-T160B 0.705540062369763 Y388B-I471B 0.704559796639949 E44A-V163A 0.693899014549402 F352B-L427B 0.691160225435911 F428A-L551A 0.687995422433898 M432B-I471B 0.679475737701267 L84B-A157B 0.672380101409443 E44B-C224B 0.671586895837356 G424A-I558A 0.669763050504711 I40A-I228A 0.665946320619437 G430B-V550B 0.665035270419873 A103B-L232B 0.660238442246414 L427A-I479A 0.65809693593928 I108B-T156B 0.655646978598179 P419A-Q483A 0.652746234743691 G391B-V472B 0.65128120531743 M83A-L504A 0.649517306922262 L427A-L554A 0.647632545423212 G430A-V550A 0.647574521433731 F105B-V163B 0.645506091818481 L78B-A508B 0.645207179439902 R45A-S201A 0.643107313644984 V355B-A433B 0.636220500074741 C349B-L554B 0.632832238408449 F77A-A157A 0.632570529101808 I108A-T156A 0.629065851236698 I40B-L232B 0.62869638666845 F352A-L427A 0.626026337206552 A106B-V229B 0.623283494100551 C349B-L427B 0.621183677505938 A433B-I471B 0.618588863270967 A357B-F511B 0.61669398362791 F77B-A157B 0.616237232322622 F387B-G473B 0.61613475843987 F352B-G510B 0.613160966445887 A103B-V163B 0.607409603481122 F226A-T111B 0.606029143666349 A106B-I228B 0.603942613331543 N76A-F511A 0.603715175092451 A103A-L236B 0.601070687549844 F428A-N555A 0.597743804200647 R418A-L478A 0.596270855664251 F105A-G161A 0.591974210915247 C407A-L417A 0.59131643624584 T354A-F512A 0.588730846165163 C85B-L504B 0.586524657741753 L86A-A165A 0.58130634374457 Y388B-I474B 0.581162343372984 A106A-I228A 0.576648651047282 P344A-L557A 0.574694164926612 T75B-F512B 0.57065760502607 M432B-L547B 0.570056895062088 L425B-L478B 0.56957862884906 L86B-S505B 0.568890660643327 I102B-K164B 0.568582821547905 A107A-L232A 0.567310598024711 C39B-F235B 0.566453831970706 F105A-T160A 0.565393339293422 T75A-F512A 0.562074937624848 L86A-S505A 0.561977474539145 Q109A-L158A 0.561324729679854 W353A-A508A 0.560479674812071 A110B-F226B 0.558718392379662 I40A-V167A 0.556935286122291 T354B-F513B 0.556484591125954 C85A-L158A 0.555846081582958 Y480A-D485A 0.549465453427364 I404A-H415A 0.545862361063479 I423B-Y480B 0.545833651454524 A110A-F226A 0.545631951881571 L78A-A157A 0.544469344743108 V550A-N555A 0.537601536996265 L202B-V386B 0.534350832072094 A103A-L236A 0.52930506376017 L551A-F556A 0.529103831676875 L425B-I479B 0.527258394167543 A107B-L232B 0.52515963500935 A110A-V229B 0.524414010606143 F105A-L158A 0.523901577416017 Q109B-L158B 0.523851270884586 L351A-F513A 0.5225640665586 A433B-Y469B 0.522263618958744 C85B-L158B 0.521181449151987 L351A-V550A 0.520796315241511 C39A-F235A 0.519363718031038 L84A-A157A 0.51936192430065 S114A-F226B 0.519228205957064 A34A-F189A 0.516879516677079 A103A-L232A 0.513984530658119 L551B-F556B 0.513236548119292 Q109B-I228B 0.513021778284353 A357A-F511A 0.512185761224277 N198B-L393B 0.511957939724773 V550B-N555B 0.511658426183706 F226A-S114B 0.511420638509379 V229A-A110B 0.510526665901352 I115A-A152A 0.507076515494015 T47B-A204B 0.505939212930157 A110A-T156A 0.50227848706116 A106B-T160B 0.501938445552711 A107A-V229B 0.501924983585539 C39B-E44B 0.499962670403983 L232A-A107B 0.497013061414975 F105B-L158B 0.491361190599707 G426B-E476B 0.490027095545624 R45A-I197A 0.481910996933238 L425A-I479A 0.481834828063692 G79B-F511B 0.481004007158988 C407A-H415A 0.48052499164241 T111B-A225B 0.477841084755044 F82A-S505A 0.477217545870303 I40B-A231B 0.47533879527945 L427A-N555A 0.475289418427859 S201B-V389B 0.473770007617092 A106A-V229A 0.472930956175714 V355B-S431B 0.472546909137156 V355A-S431A 0.471381094786719 E44B-C196B 0.469925662772493 L351A-L554A 0.468712070988899 A357A-S514A 0.467356023914134 I102A-K164A 0.466797247368453 G426A-E476A 0.466483143152695 G52B-V74B 0.466213007919436 V43A-C224A 0.465187888087904 C85A-V163A 0.464211093307631 M36A-V234A 0.463281541765134 L202B-V389B 0.461917811366074 I108B-L158B 0.456424816379923 L427B-I479B 0.455971692793387 L78A-A508A 0.455862188791188 L78B-A157B 0.454301479203758 A357B-S514B 0.453383423395908 L49B-V205B 0.452900482777729 G426B-I474B 0.452517233880959 E44A-C196A 0.452260795918417 G430B-I471B 0.451355161244294 F82A-L507A 0.449498039390543 L420A-D485A 0.448985811663769 N191A-C196A 0.448487256259812 I108A-S233B 0.445427997432226 I108A-L158A 0.444553830011985 G424B-I479B 0.44335778180271 I37A-S168A 0.441696961574475 F429B-I474B 0.439404911713719 Y388B-V472B 0.43893170341387 I40B-F235B 0.437877208334909 I102B-G162B 0.437617431281192 G424B-I558B 0.436805342626032 I345A-L557A 0.436655124381478 A107A-V229A 0.436051011618963 F387B-L470B 0.4359647693465 C85B-V163B 0.432840584332435 F82B-L507B 0.4303607954898 L78A-F511A 0.43022167596262 R422A-L427A 0.429758981690143 V548B-A553B 0.429561866720681 F77A-L153A 0.429022132880849 T348A-A553A 0.42867090955455 T75B-F511B 0.423976729352679 L78B-F511B 0.42223961147123 C39B-R192B 0.419023907952863 H356B-M432B 0.418712938244002 I345A-V561A 0.417055382630599 V355A-V472A 0.416001486879257 V113B-C224B 0.415977963738552 A103B-L236B 0.415741519945002 Q109B-Y150B 0.415267270225668 S81B-Y154B 0.413725255571055 V229A-A107B 0.410183237363906 V355B-V472B 0.40925177162529 R45A-C85A 0.405860957526295 A347B-T506B 0.405330943025385 L49A-S201A 0.4041321362198 A103A-V163A 0.403591597122553 V43A-A231A 0.403512092320203 V43B-C224B 0.400668800831629 G391B-I471B 0.400340525999705 F77B-L153B 0.399185799373191 E41A-V163A 0.398559087697768 A103B-F235B 0.396724570724787 Q483B-L503B 0.395548764187575 L392B-V472B 0.395196987088062 W346A-T506A 0.394951740069932 I423B-I479B 0.394730055471628 L427B-V550B 0.393645471192991 F428B-L551B 0.391060988219463 I104A-A237B 0.390365437565705 C39A-R45A 0.389944569985302 I40A-K164A 0.388602457320798 V43B-A231B 0.38803942518242 A42A-I197A 0.386258194785144 A107B-V229B 0.385616266911952 Q109B-K164B 0.38561290290193 S81A-Y154A 0.385155034862927 T396A-T481A 0.382540601122478 L236A-A103B 0.381217531606985 Q421A-G482A 0.380648264703719 F82B-S505B 0.380213054646533 A42B-I197B 0.379332493779979 T47A-T156A 0.378956019965397 A110B-A157B 0.37861734447813 A106B-A165B 0.377073033005947 A231A-A110B 0.376116338392635 L38A-S168A 0.374612046987977 L86B-A165B 0.374539483661203 A237A-I104B 0.373250863588143 A152A-A225A 0.37138581677154 E41B-C85B 0.371176336641839 A106A-T160A 0.371006027623256 V355B-L547B 0.369801616833516 A107A-L232B 0.368519118004706 T395A-G473A 0.365223721877588 I423A-T481A 0.365023198879928 T47B-T160B 0.364210449196764 T396B-L478B 0.363064275306855 A106B-A157B 0.3630537834128 L393B-A477B 0.362050330393842 C407A-R422A 0.361291856337733 S431B-L551B 0.36104134845225 R422B-L427B 0.360971824976865 L84B-G162B 0.360794056807153 Y154A-G162A 0.360203225434118 A110A-A231B 0.359132076203172 T75B-A357B 0.3579573377473 A103B-A237B 0.357788965565114 T160A-C224A 0.356336434861922 T395B-L478B 0.355595420601836 C85A-T506A 0.355215313729228 L427B-G475B 0.354396070189602 L425B-G475B 0.353928219647304 T111A-L155A 0.352587477684296 A107A-K164A 0.351962632016686 F105B-G161B 0.351027391598549 V113B-L155B 0.34988866192146 C85A-F511A 0.349471090900573 G88B-A165B 0.34939486867279 C349B-F512B 0.349208975376244 W546B-V552B 0.348982236401359 T80A-L158A 0.347516328623102 V386B-Y469B 0.346701328375243 Y399A-G482A 0.34596058535246 T395A-L478A 0.344989965870001 F352A-G510A 0.344618013788718 G424B-E476B 0.344616933915463 S114A-A152A 0.343895942883072 G112A-C224A 0.343810794980266 E41B-G200B 0.343526287281376 G391B-Y469B 0.343337322511333 T111B-L155B 0.342267128482604 E41B-G162B 0.341898478294845 I104B-G159B 0.341758361887202 T75B-S514B 0.341301841435938 G79B-L507B 0.341281540324795 F352A-V550A 0.339596640791783 C85B-T506B 0.339155861824082 S81A-A508A 0.338298147031875 T48B-C85B 0.337023835417778 F429B-I471B 0.336644234618663 A107A-A227A 0.336603798073266 T348B-A553B 0.336517431252801 E41A-Q109A 0.335912180325733 T348B-L557B 0.33524281359531 R45B-S201B 0.33411578827447 F352B-G426B 0.332599161533555 C349B-G482B 0.332349062044801 S81B-A508B 0.331339383252593 T80B-L158B 0.330481422843565 G430A-A477A 0.330269217275781 S81B-A157B 0.330018078016223 T354B-E476B 0.329669841196575 I102A-S166A 0.328706012418737 T111A-T156A 0.328073113491037 C349A-L427A 0.327898960122059 G390B-E476B 0.326052505581955 Q358B-S514B 0.325982834437112 M36B-A231B 0.325653114759981 T75A-T354A 0.325399845334271 K409A-H415A 0.324326064512393 A225A-A225B 0.323411710594452 A347A-T506A 0.323146359885538 T48A-C85A 0.323146139469731 T160B-C224B 0.320974156070862 G161B-A508B 0.320896179720367 S431B-V548B 0.320560050475886 A106A-A165A 0.320466470391107 G161A-A508A 0.319342233323764 C349A-F559A 0.318830089458802 E44B-G52B 0.318488132850691 M36A-G238A 0.31836324427378 S233A-T111B 0.318253097194243 F82B-G161B 0.318106151594154 V229A-V229B 0.317919133478098 A110A-A225B 0.317788398904516 I423B-Q483B 0.317534599272892 M83A-S505A 0.31665380364981 G426A-I474A 0.316205947462526 A237A-G159B 0.316115660834563 I350A-F513A 0.314599086617509 T395B-G473B 0.314392088020733 G391B-G426B 0.313814299177138 A103A-A237A 0.313160894113812 L427A-L551A 0.312489311398379 G430A-G510A 0.311985239967426 C39B-T47B 0.310982418042815 G52B-H356B 0.310951726183528 E44B-G200B 0.310657367127287 I404A-K409A 0.310588557231092 F77A-Y154A 0.309369253721737 L427A-G475A 0.30926342732961 I40A-C85A 0.308587639583011 Y388B-L470B 0.307944467821527 G424A-I479A 0.307906816933001 I350A-G510A 0.306633534430558 I404A-G416A 0.306598361321367 I40A-V163A 0.306533151679799 F429A-I474A 0.305894201437584 I40A-F235A 0.305761842773153 G112B-G161B 0.304695950011462 L427B-L554B 0.304088580585509 R405A-G416A 0.303930524084415 G430B-G510B 0.303598784535632 Q109B-A225B 0.30275119329663 R405A-L410A 0.302475971332298 V113A-L155A 0.302098724115805 V389B-L470B 0.301878936016347 G430A-A553A 0.301515765683336 G159A-S166A 0.299848096645655 G162A-S168A 0.299440722406778 A433B-L470B 0.299014641504036 I108A-A237B 0.296585104321115 V113B-L153B 0.295870485135832 H356B-G391B 0.295736845691828 S81A-A157A 0.295720341692751 A107B-I228B 0.295573304516574 E44A-G200A 0.293641468056007 T47A-T160A 0.293422532860745 A106A-L232A 0.293223507678928 G79A-L507A 0.293059917733482 T111A-T111B 0.292935899660938 I423A-Q483A 0.292590090886614 I104A-G159A 0.292455493346313 E41B-G161B 0.291387595984855 S81B-L158B 0.291345620656528 A107A-L236B 0.291138908143695 F226A-C224B 0.29052506759421 F428B-N555B 0.289939509999877 M83B-L504B 0.289190673470187 Y150B-L155B 0.288687340280021 L236A-A107B 0.287882804175406 T80B-C85B 0.287467084395658 S114B-A152B 0.28450060148887 G416A-L478A 0.284479104497358 V389B-V472B 0.283707007041005 L230A-A107B 0.282871247920898 T354A-F513A 0.282529574133193 G112B-L153B 0.28082050530774 S514B-A549B 0.280551673307725 L393A-A477A 0.279678438436081 T48B-T75B 0.279444434386979 L351A-A553A 0.278454928538469 C39A-F105A 0.278111315558568 L394B-G475B 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