[Wed Aug 24 17:29:25 2016] >Input file: TM1NEKATD.pdb >TM segments: C25-49_C69-93_C107-128_D17-38_D54-80_D88-113 MAIDEN score = -96.7149 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 ----------- ---------------- Y29D-T61D 1.19901406941035 I68D-W73D 1.17927527099133 L80D-Q94D 1.08754757027173 W73D-I97D 1.05953161140744 Y83C-F114C 1.00505140242064 F66D-V105D 1.00290577626046 W73D-V98D 0.949414233435383 W75C-V128C 0.941802405716148 L69D-L101D 0.91058057421545 Y29D-F60D 0.849634901985389 W77D-Q94D 0.823429810653391 R31C-H84C 0.785980026965344 R31C-V79D 0.772472894382246 W73D-L101D 0.700513449455979 T22D-I68D 0.677608950218094 V86C-T117C 0.67341142785524 L45C-Y104D 0.669054581749759 F38C-A72D 0.659162559858683 W75C-A124C 0.649536271868623 A72D-W77D 0.64736742336513 L65D-Y104D 0.645741599923762 R90C-S109C 0.637137040548629 I36C-A80C 0.62760869913268 L69D-V102D 0.617540506727144 L65D-V105D 0.589097904531265 L18D-H71D 0.587275113257931 T37C-L81C 0.569237544133717 V19D-I74D 0.558717142407432 L26D-S67D 0.555122395966094 M76D-Q94D 0.554628841608466 L62D-V105D 0.548965000987522 T79C-S121C 0.548454746840131 L18D-I70D 0.545032321248526 I89C-R20D 0.533500653822064 T22D-I70D 0.532888617980396 L78C-S121C 0.530684217711991 V25D-A64D 0.523651642683429 K58D-W113D 0.521976743388204 R90C-S113C 0.516700651401999 V85C-T27D 0.513996765966411 R90C-I112C 0.508607277693901 R90C-A110C 0.485388297980363 A82C-S121C 0.467927805665056 I68D-L101D 0.461385931519447 G42C-Y104D 0.436814400217033 V41C-Y104D 0.435315337532947 V25D-S67D 0.434958981163057 T79C-T117C 0.431620836693005 A23D-H71D 0.42841008418419 A82C-L120C 0.424044011159504 A26C-V87C 0.419249015019763 S27C-V87C 0.419179588067652 I36C-I77C 0.416759970819466 V85C-R90C 0.406553757696312 I43C-M74C 0.395398571083929 L62D-F109D 0.394803818412738 H84C-S121C 0.391348333872746 A40C-I77C 0.390971498823478 V87C-A110C 0.388612775547872 Y83C-S113C 0.387078531047084 H84C-M92C 0.383500725926883 L45C-Y107D 0.382573436649125 A64D-A72D 0.378120589685336 W46C-M74C 0.368607716773606 A21D-A64D 0.366383121461551 L48C-V111D 0.36121179725579 Y83C-S121C 0.351330169077561 K71C-S121C 0.333484752704344 L65D-G108D 0.329480625816705 R90D-L95D 0.328868719978519 H91C-K107C 0.327005195389179 L69D-V105D 0.325378455551611 V19D-W73D 0.324964529600933 T79C-A124C 0.314997422131947 L127C-A38D 0.31463479741094 G34C-G76C 0.313911680329248 M76D-I97D 0.313071429982148 T79C-L120C 0.309662736016196 M92C-R20D 0.309300506817353 V19D-I70D 0.306981484329151 W75C-V126C 0.306157317722666 L69D-V98D 0.303641314908073 L127C-F37D 0.294907694247215 V86C-I116C 0.292424602303362 A40C-A72D 0.290949913848372 H84C-H71D 0.289713379787354 V19D-G75D 0.286913963678236 H30C-G88C 0.286770773650279 S33C-G75D 0.28607303197329 L69D-Y104D 0.28227591314522 A72D-L101D 0.279534293916073 H30C-H84C 0.279308597863455 R20D-H71D 0.277056164910712 G88C-L26D 0.274631166372842 T37C-W73D 0.273719134895827 H71D-Y104D 0.270238268981497 T37C-A80C 0.267480048805026 R31C-A72D 0.26379836688644 A26C-R108C 0.263586421322671 H30C-S113C 0.260110562077966 V19D-H71D 0.260046969133574 W75C-T117C 0.253607369299037 G34C-W77D 0.252054833756044 H30C-K107C 0.250744120478427 L78C-A124C 0.248144674270939 V87C-S113C 0.246726006699626 A80C-G88C 0.242236427256557 L26D-I68D 0.238728278203282 T37C-T27D 0.237825011745734 Y32D-A64D 0.236190188759119 A23D-G75D 0.233643643653126 G49C-W113D 0.230034501942015 W75C-S121C 0.229823882923533 A40C-Y104D 0.229664976008279 L81C-S121C 0.228200207160095 L48C-T61D 0.227854774679916 A26C-F114C 0.227788801292311 G88C-S109C 0.227157303090395 L45C-G108D 0.226294352374264 S67D-Y104D 0.222902402842187 V86C-S113C 0.221185195533739 H30C-M76D 0.218847634672358 V41C-Y29D 0.217856396106182 G34C-W73D 0.217546061986415 T27D-H71D 0.21738363970729 Y83C-K111C 0.215777775138991 G42C-I77C 0.21500764811787 T22D-W73D 0.214085171398735 L29C-Y83C 0.212813958033054 V39C-I68D 0.212746942072638 G75D-V98D 0.212378663236267 Y32D-K58D 0.212336816793007 R90C-K111C 0.21064478123867 G34C-L81C 0.210221567331402 V85C-L26D 0.2097797536662 G42C-V102D 0.208843759794421 G42C-I68D 0.208450448704829 G34C-I74D 0.208064700929643 V86C-S121C 0.207706901536143 V41C-L101D 0.207610938731986 F38C-V98D 0.206156688467337 Y83C-A110C 0.204583904390092 V70C-W75C 0.204103283411218 V85C-F114C 0.203437089044927 L29C-H84C 0.203406214265161 S33C-L81C 0.203163485218957 F60D-G108D 0.202360075862305 F69C-V128C 0.199996358093809 G35D-T57D 0.199398137678848 I68D-V103D 0.196450420300296 K58D-L63D 0.193280330333449 H71D-V79D 0.186359345293277 I36C-G76C 0.184827365607374 L18D-M76D 0.182630274384859 G42C-I97D 0.180691819166032 V59D-V112D 0.180652492275948 H30C-A110C 0.180538666159448 M33D-V59D 0.180345041247373 V102D-F109D 0.179679093885598 L81C-G125C 0.179589736670727 H71D-M76D 0.179332191516247 L48C-K58D 0.178755176498298 R31C-W77D 0.177938741396567 L63D-V105D 0.176993888497831 Y29D-A64D 0.174267298286147 T27D-T57D 0.173011109776711 V41C-H71D 0.172823520540976 R20D-A72D 0.17277535065603 A82C-G125C 0.172674840839772 M74C-V128C 0.172503297750962 G76C-L120C 0.172428313341481 A21D-I68D 0.172417906309562 V85C-R20D 0.172248265139207 G34C-A23D 0.171834545640214 A80C-F114C 0.171292053755806 H30C-G75D 0.170256099333954 T22D-T61D 0.169531415964087 M92C-L26D 0.16810364315258 I36C-A72D 0.167915473970059 S33C-A72D 0.167898957442532 G34C-A80C 0.16668546825897 R20D-V25D 0.166037513029427 V85C-V34D 0.16581639186948 T79C-T27D 0.165537754512215 I36C-I97D 0.165393857125133 M92C-V25D 0.164757499452267 V85C-V115C 0.164747289399212 W77D-L89D 0.163687265379531 I89C-A110C 0.162968795159069 T37C-T22D 0.161943823595368 I68D-A100D 0.160463911574133 L78C-V128C 0.159792820599677 W77D-L93D 0.158220097119506 K107C-I112C 0.158022257586844 T117C-T27D 0.157851481214088 G49C-T61D 0.157600184176046 A64D-V112D 0.157111843770639 T57D-W113D 0.156883247944039 S33C-M74C 0.15683377175457 A40C-V70C 0.156108542707915 L81C-M33D 0.155790668638529 T37C-W75C 0.155440598819476 V86C-F114C 0.155087156017149 W75C-L122C 0.154970232681873 Q94D-V99D 0.154792161721333 V25D-L63D 0.154541047251039 T61D-W113D 0.154491009812029 F56D-V112D 0.153851861968596 Y32D-S54D 0.153391311809681 R31C-V85C 0.153389520687841 Y83C-S109C 0.153271658557114 T37C-I77C 0.152918448460232 H84C-I116C 0.151527384496109 L48C-W113D 0.15150213914912 I28C-M76D 0.151354998656642 G34C-I68D 0.1512364969324 H71D-V105D 0.150801604800359 V126C-F37D 0.15010552979213 A40C-I97D 0.149728709240784 V19D-A64D 0.149417307015397 H30C-A40C 0.148931301409873 V35C-M76D 0.148841218907764 R31C-A82C 0.148602412975382 R90C-A23D 0.146261255690754 V96D-V105D 0.146025363355353 L81C-Y29D 0.14595141824723 M33D-L65D 0.145219671013895 H30C-T79C 0.144410990729606 L62D-G108D 0.144225054806703 T37C-H71D 0.144014417539773 T37C-A100D 0.143599512042785 L28D-T61D 0.143435239760453 V70C-V128C 0.142921511188732 H30C-T117C 0.14036369105434 V87C-F114C 0.139869387062866 I36C-L81C 0.139660112087081 V35C-V85C 0.138735144108272 I68D-Y107D 0.138454482801938 V35C-V19D 0.137807914095896 F38C-M76D 0.137610139308967 T79C-I30D 0.13720715069517 H71D-V102D 0.137198896628026 V85C-A110C 0.136752549897556 V85C-H71D 0.136493945823026 A26C-I112C 0.136146679871302 V119C-V34D 0.135962818602208 H71D-V98D 0.135020753463804 K111C-I116C 0.134762343370195 H84C-L120C 0.133845301497099 L45C-M33D 0.132080151872782 T37C-G88C 0.131946500292182 G88C-H71D 0.131910186849649 K58D-F66D 0.131082925154879 A72D-Y104D 0.130596063116601 Y83C-A124C 0.130354067218228 I36C-I73C 0.130113545323054 V32C-V79D 0.128879313238189 L78C-V126C 0.128383500766377 A82C-I31D 0.128181853024318 A21D-Y29D 0.128123346116841 L48C-I106D 0.127997581077706 L18D-W77D 0.12782208367377 S121C-V34D 0.127421325772408 T37C-I30D 0.127402397322728 L63D-Y107D 0.127236002261642 H30C-Q78D 0.126614681908392 G34C-L69D 0.126510986157196 G49C-T57D 0.12621630946017 L44C-K71C 0.125618394068443 T37C-A23D 0.125452767274659 L65D-V102D 0.125200800615461 V86C-V34D 0.124862652182811 Y32D-L62D 0.124559753332753 I28C-G75D 0.123907687314699 Y83C-V118C 0.123763707243135 T117C-G125C 0.123531053816168 G88C-I112C 0.123455002896458 V86C-V25D 0.123084948433691 L120C-V34D 0.123029659986696 A82C-R90C 0.122492466083855 V59D-V110D 0.121578371547725 A64D-V102D 0.121373541545424 S27C-M93C 0.120949336722143 S33C-V79D 0.120314719515245 H30C-V87C 0.119762612338387 G88C-F114C 0.11934334900837 S33C-A110C 0.119038040955403 G88C-G75D 0.118664403844088 V79D-L93D 0.118199567865717 T57D-G108D 0.117599260201658 H84C-V115C 0.117381713825887 F69C-G76C 0.11721239753455 A64D-F109D 0.117179012405068 A21D-L28D 0.116729901044182 V85C-V119C 0.116726648849797 V39C-I77C 0.116085320563971 A80C-V119C 0.116008243609317 L44C-A124C 0.115656267055187 F36D-S54D 0.115649501895753 L89D-Q94D 0.115094507080228 A110C-V118C 0.114351840872442 A26C-A80C 0.114204631553983 G42C-V111D 0.113785431125652 A72D-V96D 0.113605013364819 G42C-V96D 0.113435497447638 A88D-V96D 0.11320750319121 L62D-V112D 0.11281568681542 L80D-L95D 0.112419166576303 S27C-V79D 0.112134017663237 V86C-T22D 0.111987523484947 L45C-V110D 0.111956024227303 G125C-V34D 0.111828439863132 A26C-I116C 0.111819286338158 V32C-V41C 0.111794790695209 L45C-L62D 0.111637664547166 S67D-V98D 0.111616828923609 V19D-S67D 0.111580181402471 H91C-A23D 0.111186838218941 A40C-G75D 0.111036688419729 S27C-V85C 0.110743922284301 H30C-M93C 0.110645722468028 V32C-A72D 0.110525740469383 L48C-L62D 0.110509494900036 T37C-I97D 0.110110534170728 T79C-S113C 0.109657136437645 L44C-L65D 0.109593657558013 G34C-H84C 0.109519892913018 W73D-L91D 0.108868379015362 L29C-V86C 0.108824261684598 L29C-I89C 0.108816747729536 G88C-A110C 0.108463058787186 V85C-S121C 0.108064428493474 T37C-V98D 0.107984827565801 L28D-L65D 0.10784443518218 A21D-A72D 0.107249083001334 S33C-S113C 0.107172129683898 A64D-Y107D 0.105889312571219 L45C-L69D 0.105865074328895 L81C-L122C 0.105758624638645 T79C-V118C 0.105315848641652 I43C-V70C 0.105004459085812 G42C-A80C 0.104470968165744 V39C-L44C 0.104279089254538 V119C-V128C 0.104270328775572 L26D-V59D 0.103634275314449 L65D-V98D 0.103415415682473 T27D-G35D 0.103378072338639 S27C-V35C 0.103334529175612 T79C-V126C 0.103124565693404 A80C-S113C 0.103040056720591 V35C-L93D 0.102777337404031 R90C-T117C 0.102749966862822 G49C-V103D 0.102740110814873 G76C-T117C 0.102592778211058 F38C-G76C 0.101977125391536 F114C-A124C 0.101883483582447 M74C-L120C 0.101776769247639 L78C-Y83C 0.101490689289018 L44C-G76C 0.101316558881384 A124C-I31D 0.101260965905605 R31C-I36C 0.101233907583413 M76D-R90D 0.101184668110607 H30C-A72D 0.101114365205014 G34C-I97D 0.101027002416559 T37C-G75D 0.100877400668229 T117C-V34D 0.100505309711655 S33C-V85C 0.100241456505647 T57D-V105D 0.0999939457574177 L28D-L62D 0.0999897196358304 H91C-R20D 0.0999445054818846 L78C-V118C 0.0998888789501424 A23D-F66D 0.0998873533719635 Y83C-H91C 0.0998487344090915 M93C-I17D 0.099745934186604 G34C-G42C 0.0995961795429092 I77C-I30D 0.0991999929315655 A26C-G34C 0.0990192007224818 V79D-V96D 0.0988181973758682 A21D-G75D 0.0985637761983478 L69D-Q78D 0.0976535505421503 V39C-L93D 0.0975070688005819 G34C-I89C 0.0974203171833652 L44C-V103D 0.0972688533991994 M33D-L63D 0.0969589892570073 H84C-V118C 0.0968661320154958 H91C-K111C 0.096561328940254 W77D-V98D 0.0964359436418345 R20D-Q78D 0.0960571515811046 L65D-V99D 0.0955488272352578 V87C-L120C 0.09547037086383 T22D-G75D 0.0953565456067867 G76C-V118C 0.0953534350498071 S67D-G75D 0.0950965391935692 I70D-Q94D 0.094985822537855 Q78D-L91D 0.0948813245134459 Y83C-I30D 0.0948101095097984 G34C-T79C 0.0945792677370084 L45C-V102D 0.0944202617971461 V25D-M33D 0.0943862066393946 H71D-Q94D 0.094041190497828 M76D-M92D 0.0939914408149862 L48C-V105D 0.0938444584984 I31D-L65D 0.0936437085902503 Y29D-F56D 0.0933704434806932 V41C-L62D 0.0932085480149287 A82C-V115C 0.0932004833955506 H30C-V35C 0.0930376814377628 I74D-L91D 0.0928054332645409 M74C-Y83C 0.0927799783293812 L29C-I112C 0.0926346168109132 G88C-A72D 0.0920683906062925 G42C-G76C 0.0919492772839239 L44C-L101D 0.0919102986913969 M76D-V99D 0.0918966907274372 L18D-A23D 0.0916712828855939 I73C-L123C 0.0916321925247384 F36D-T61D 0.0914734377744155 Q78D-L95D 0.0910848747070121 I70D-V98D 0.0909131037101343 I89C-L18D 0.0906644757907697 G88C-T22D 0.0906203131828509 F38C-Q94D 0.0906116601686691 G42C-I73C 0.0904636573450317 A110C-V119C 0.0903813653215124 V85C-T22D 0.0901240993922539 I68D-V99D 0.09010485775324 I89C-T22D 0.0900577617561885 I97D-V105D 0.0899679777813619 V35C-G88C 0.0898840398397012 I36C-V85C 0.0898465566607701 I36C-I68D 0.0898063639092213 G88C-T117C 0.0897798517273857 T22D-V105D 0.0895880141064662 S33C-Q78D 0.0895516154201057 L63D-L101D 0.0895222773996727 V32C-A82C 0.0893265241319408 I89C-I30D 0.0892114650110081 L69D-V103D 0.0889667127800795 A40C-T79C 0.0887248157400267 L48C-I77C 0.0886695525095472 L48C-I30D 0.0882187434279709 A26C-T117C 0.0880464412646655 K111C-V119C 0.0879593655482811 L26D-I74D 0.0877488499201881 R31C-G88C 0.0871459544655 L48C-F36D 0.0869937220863959 G49C-V112D 0.0868899646446053 L29C-I116C 0.0864332636406664 F38C-G75D 0.0860501602789676 F72C-V126C 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