[Mon Aug 29 17:45:11 2016] >Input file: TMB3LL56S1G.pdb >TM segments: A58-88_A100-116_A146-157_A172-202_A216-226 MAIDEN score = 6.1210 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 ----------- ---------------- C76A-C114A 10 C75A-C114A 10 E66A-C110A 2.38632386979634 C101A-F152A 1.20886493849019 C101A-S155A 1.20059237088199 K177A-F182A 1.09466038089065 E66A-C114A 1.07442399366186 E67A-C110A 1.05752693089529 W148A-F216A 1.00778889483089 Y153A-F182A 0.996682736426767 E67A-C114A 0.93976533303595 A189A-P197A 0.93760589031396 F152A-V220A 0.910896501822648 K58A-A116A 0.910461225914439 E67A-A115A 0.72958395458674 L84A-C110A 0.710940648105834 C101A-Y221A 0.708588800426366 L102A-C156A 0.702338957775805 F152A-Y179A 0.692626014531518 K184A-I200A 0.672327172747587 I172A-F182A 0.672149626351057 E67A-A74A 0.662368998001991 C101A-C156A 0.608536461195003 A189A-F198A 0.607201058679229 F105A-F152A 0.585683713465182 G187A-F198A 0.579206786771398 D154A-C223A 0.578183441643796 W148A-V220A 0.571847769426853 I172A-F185A 0.535872258922487 K58A-C76A 0.529188952769334 L88A-N106A 0.525262802799762 V63A-K78A 0.524960862870663 F185A-G195A 0.51646967459317 C64A-C110A 0.516056883862903 D154A-Y179A 0.51098023264228 W148A-E219A 0.468767106415582 L59A-A74A 0.459770265247524 K184A-P191A 0.444018035371573 Y153A-N178A 0.441125809258286 C76A-V81A 0.439143405569566 I172A-L186A 0.437458305269725 E62A-T77A 0.431853781314426 C101A-D154A 0.430026785184218 K103A-Y221A 0.421117858689927 K157A-Q181A 0.416692036140671 D188A-Q199A 0.411479250469976 K190A-P197A 0.406912077212553 A100A-A222A 0.394259340607588 Y73A-A115A 0.393982509409726 E151A-K157A 0.392968161043959 R85A-C110A 0.38959905762379 S180A-Y202A 0.377398111170733 E62A-K78A 0.377317246994481 G65A-C75A 0.367454097105021 C64A-R72A 0.364263767222104 V63A-W68A 0.360934287458087 L60A-A74A 0.359422516057546 F105A-C156A 0.359343964395729 G187A-I200A 0.358791687873494 Y179A-G187A 0.358113973409809 K177A-K184A 0.342456328477158 A149A-S180A 0.341658168663457 A74A-C114A 0.340674876060808 E66A-F105A 0.340519194202603 G174A-Q181A 0.339731930922003 K69A-C76A 0.336193543500409 D188A-P197A 0.333416350365167 E62A-C76A 0.329211171694745 E151A-F216A 0.324478789743212 L183A-Y202A 0.323518760790588 S155A-Y221A 0.319949120370197 A100A-S155A 0.319627393999759 C110A-E219A 0.309141721995529 E151A-F182A 0.307925777587922 G187A-N201A 0.305059730908066 V61A-R72A 0.302284531486552 T77A-C110A 0.294334639198699 C64A-C75A 0.28819954250439 D79A-R85A 0.284676301622542 Y153A-G174A 0.281249522933969 K103A-C114A 0.281055623123136 E151A-A222A 0.279420299372868 D188A-F198A 0.277195805824631 L60A-V71A 0.272552415449448 N87A-P197A 0.272284094119699 K103A-L108A 0.269283366728031 N87A-G187A 0.267905095085705 L183A-D188A 0.267391925928371 S150A-K184A 0.266648962233751 K69A-C110A 0.263310917372945 K78A-H111A 0.259994292801441 C156A-E219A 0.258080140255869 E62A-C75A 0.254538843331893 L186A-G195A 0.251660010511281 D154A-D218A 0.250994079085697 C110A-V220A 0.247864035639231 A149A-K177A 0.247697525733121 E66A-K103A 0.246089640441376 Q181A-Q199A 0.245482123968382 G194A-Q199A 0.244462984260353 C64A-C114A 0.243137811110505 G65A-Q80A 0.242511880771162 F105A-C114A 0.241691332862207 P191A-Q199A 0.240363061815852 F112A-G187A 0.237178657006989 L59A-Y73A 0.232929711907565 L84A-H111A 0.231550548070841 L84A-N106A 0.231289129715854 S155A-C223A 0.229817108649641 L59A-V71A 0.229449593217069 K78A-D86A 0.227711727335168 E67A-T113A 0.225502756725449 S155A-S180A 0.225285799074089 C101A-I172A 0.224929557774843 S146A-S155A 0.224828977955759 S150A-N217A 0.224796166572881 K103A-D225A 0.223565131954097 Y153A-K184A 0.223443841645284 A83A-S196A 0.222472070907076 D79A-L84A 0.222058843772137 Y179A-K184A 0.219929224495888 E67A-Y73A 0.218081469694861 K103A-D154A 0.218074247275963 S180A-G187A 0.216648440725433 N104A-Y221A 0.216639146857719 W68A-K103A 0.213723610752744 E151A-Y221A 0.212422243670794 G65A-N106A 0.211726635327963 E151A-C156A 0.211051087168341 K103A-Y153A 0.210658679402197 E151A-Y179A 0.209958148859111 E66A-Q80A 0.207791135389856 V61A-V71A 0.20732135614578 N106A-C156A 0.206503985220967 K69A-C75A 0.205922977576611 L108A-D218A 0.205520772412889 W68A-K78A 0.203956092228927 A115A-D218A 0.200378950995666 A149A-D154A 0.2001059384506 H111A-Y202A 0.198140777125269 I172A-G195A 0.197823727469888 V81A-D86A 0.196561648235589 A149A-Y179A 0.196517273442969 N87A-L193A 0.195680827164161 H111A-V220A 0.195269772884974 D79A-T113A 0.191046169268355 K157A-Y179A 0.190190563638617 F109A-C114A 0.190101233015801 L84A-F109A 0.18993449096712 K103A-W148A 0.189657343466038 W148A-Y221A 0.189489800888564 N106A-L183A 0.189239223522875 K103A-D218A 0.187542692966338 Q181A-P191A 0.186519569888802 S196A-Y202A 0.186039504263577 E70A-A116A 0.185455765152816 N104A-S146A 0.184198747966454 G174A-G194A 0.18376350079809 L59A-C114A 0.183331568024286 K103A-H111A 0.182561938763389 F112A-F216A 0.18106023170032 C64A-K78A 0.180337483738088 E67A-R72A 0.180002583131031 C64A-Q80A 0.179678375964379 S150A-Y202A 0.179404267321157 K184A-K190A 0.178691061466886 K58A-E67A 0.178256008166763 K184A-F198A 0.177091595474838 N106A-Y153A 0.177013565649435 N104A-D218A 0.176275024670498 K103A-E151A 0.176253909698326 G65A-A116A 0.175878570908178 K157A-L183A 0.174774854276491 E66A-N107A 0.17462995868523 C101A-F182A 0.17442879162641 N104A-L183A 0.173943200366288 L108A-V220A 0.173205164355365 L59A-C64A 0.173153102034044 N178A-Y202A 0.172807002032928 D154A-N178A 0.171842938845881 V61A-D79A 0.171807858714892 L186A-I200A 0.171766801863211 S147A-Y221A 0.171623556468019 G187A-M192A 0.171441797093183 N104A-F216A 0.17072930572 G174A-L183A 0.17021479460637 F105A-E219A 0.170173013583117 V61A-V81A 0.16944868083736 Y153A-E219A 0.168965112383405 G65A-H111A 0.168796061574191 R85A-K103A 0.16829861070677 E66A-R72A 0.166812885757237 E66A-V71A 0.166412664914616 D154A-D225A 0.165736875361021 N107A-Y153A 0.165048095085482 A100A-D154A 0.164689942872506 K157A-D224A 0.162738763245577 F109A-N217A 0.162651556604056 G65A-L84A 0.162325227635126 G65A-A83A 0.161636831452177 L84A-T113A 0.161537415501357 C76A-A115A 0.161249613152902 S155A-K177A 0.161247273633997 G173A-G187A 0.160820502291459 G173A-D188A 0.158680717417797 F185A-P191A 0.157413126298424 G173A-G195A 0.156823693988962 N87A-C110A 0.156157454591223 N106A-D154A 0.15504228768942 E66A-A74A 0.154798623535644 G65A-R72A 0.153718943743667 N107A-D154A 0.153333151923429 D86A-N107A 0.153076818338559 S196A-N201A 0.152949816174242 C75A-A116A 0.152909535182491 C101A-Y179A 0.15258136634769 N107A-D218A 0.152243686480386 K177A-L186A 0.152052582839323 T113A-P197A 0.151851324830348 E62A-K69A 0.151477153559781 C110A-A115A 0.15093764614892 L108A-T113A 0.150172532543311 Y153A-Y202A 0.149456258338177 F109A-Y153A 0.149117510697561 G174A-G195A 0.148288693747145 E66A-T77A 0.147438045348778 H111A-A149A 0.146588125618032 E67A-N217A 0.146405467874194 L183A-P191A 0.144857712464871 F152A-E219A 0.14478077256399 Y153A-G175A 0.14443488439148 E67A-N106A 0.143788950080298 K157A-G174A 0.143714970881837 N87A-N107A 0.143189183237328 A83A-G194A 0.143138278397385 C110A-L186A 0.142695491147776 S180A-N201A 0.14223967841709 C156A-S180A 0.140916447611494 C110A-F152A 0.140674592478941 Y221A-A226A 0.140026155467362 Y179A-Y202A 0.139937982625649 C101A-A222A 0.139806568662874 K157A-S180A 0.138897269358512 A83A-F109A 0.138049849644169 G174A-F182A 0.136899056488719 L60A-W68A 0.136739956415919 G187A-Y202A 0.136248437331934 N87A-F112A 0.135130161572555 C64A-C76A 0.1349647874656 H111A-W148A 0.134281488385979 C75A-F112A 0.133775262837333 F112A-Q199A 0.133358427520002 N104A-D154A 0.133294048093901 K58A-T113A 0.132947747703841 Q80A-C110A 0.132280051652521 P191A-S196A 0.131222847839773 R85A-F112A 0.130240238509137 E67A-A116A 0.12949067275102 L108A-F152A 0.129367670940397 Q80A-F109A 0.129114524895438 W148A-D218A 0.128479964563831 Y153A-A176A 0.128138839048741 L108A-W148A 0.127630591497246 S146A-K184A 0.1253684114969 D188A-I200A 0.125238154491564 E62A-A74A 0.125099074856895 L88A-L183A 0.125085057756129 N106A-E151A 0.125034235361135 K58A-D79A 0.124800958500445 A83A-N106A 0.1244407496903 S150A-D218A 0.124260582988399 I172A-A189A 0.12418255177264 I172A-G187A 0.123852480662485 A149A-G173A 0.123796364657888 C101A-W148A 0.123466741730836 R72A-C110A 0.123461916887346 I172A-K177A 0.123128291346941 S146A-V220A 0.123087954763311 E62A-Y73A 0.122075149652706 D154A-S180A 0.121587105922155 F152A-Y221A 0.118104201634225 N104A-F182A 0.117965066050107 F105A-F112A 0.117227608262219 G65A-T113A 0.116800578062076 Q181A-S196A 0.116217735186857 N104A-H111A 0.116012333098814 W148A-A222A 0.115979330306737 A74A-N107A 0.11587490852315 N87A-S196A 0.115605338960511 N106A-A149A 0.114939025730152 A149A-N201A 0.114372928031324 R85A-T113A 0.113911487291911 G65A-R85A 0.113455126915514 F182A-G195A 0.113357238447226 L60A-K78A 0.113325733378891 L84A-L108A 0.112768131521657 V61A-K78A 0.11206580517396 L88A-L193A 0.111808206122193 G173A-M192A 0.111646642285872 V71A-A116A 0.111110685186792 W148A-K157A 0.111006221193999 C110A-S196A 0.110223834920582 E62A-R72A 0.109388823307768 Q80A-F112A 0.109231107365281 V63A-A83A 0.109170929268908 A83A-H111A 0.109025001177515 V61A-K69A 0.108792835373684 V63A-A116A 0.108456260732645 V63A-T113A 0.108362897534601 K58A-E70A 0.108328432137752 S147A-Y202A 0.107977311475723 F109A-N201A 0.107844088181071 S150A-C223A 0.107003663860546 A100A-Y153A 0.106578373832325 K69A-D218A 0.106472407049332 A100A-D225A 0.106274565281364 S146A-N178A 0.106206726543734 A100A-C110A 0.105787570736574 L102A-A222A 0.105295477584639 R85A-G195A 0.105152551878409 S147A-A222A 0.105041467505711 N87A-G195A 0.104883999163851 C156A-L186A 0.10456184934253 K103A-D224A 0.104546909084955 T113A-S196A 0.104160665632966 Q80A-R85A 0.103664700076246 V61A-C114A 0.103479854047427 A100A-F109A 0.103084519997358 S146A-D154A 0.103016275513634 D154A-A222A 0.10278543710665 F152A-Q181A 0.102767870415548 A83A-G195A 0.102654732015031 F105A-D154A 0.102560098788969 A100A-S150A 0.102455674036648 L60A-G65A 0.100256435922875 A115A-N217A 0.100203037888158 L186A-N201A 0.0998558010083768 N178A-L183A 0.0995635815475326 F105A-A115A 0.0993407811533107 L84A-L186A 0.0988576548674258 Q80A-P197A 0.0987485680276983 C76A-T113A 0.0984301465732624 G173A-P191A 0.0980938921117396 N106A-N217A 0.0978776041256174 C110A-D218A 0.0971144934635927 G65A-T77A 0.0966878929911974 S147A-N217A 0.0966663816853144 L183A-L193A 0.0964039024119572 A149A-L186A 0.0960917820378301 V82A-P197A 0.095030043439869 W148A-C156A 0.0950033603478673 W68A-H111A 0.0949318428300949 V82A-T113A 0.0949199990523484 Q181A-L186A 0.0949170870303089 G174A-G187A 0.0942170253578607 P197A-Y202A 0.0932521388626171 Y73A-H111A 0.0927678577676256 F105A-C110A 0.0925877303344027 K58A-G65A 0.0922723132510321 F185A-G194A 0.0917722341759442 K184A-G194A 0.0917352912982213 Y179A-V220A 0.0911094632764256 T77A-F112A 0.0905820466159358 L102A-D154A 0.0896791188737365 S147A-C156A 0.08966607373906 K184A-N201A 0.089418248787581 C156A-I172A 0.0888878693133717 S150A-A222A 0.0888785141947421 F105A-T113A 0.0881157805592891 T113A-N201A 0.0871373417238464 F109A-F216A 0.086877480001323 D79A-C114A 0.0868526354382677 R85A-N107A 0.0863856947412156 F109A-A149A 0.0859725084877789 N107A-A116A 0.0844687735539456 Q80A-A115A 0.0842339257472529 N106A-V220A 0.0840947282178893 C64A-A115A 0.0836546703028409 L186A-S196A 0.0836460017062013 L186A-Q199A 0.0831599163594721 E62A-E67A 0.0825722491245114 L88A-F198A 0.0816364847110229 V220A-D225A 0.0799882449462803 E151A-D224A 0.0799064942925907 L88A-G195A 0.0796085412256152 L88A-F182A 0.0795422221207573 K190A-Q199A 0.0793787352725537 Q80A-S196A 0.0793073162402624 E66A-A115A 0.0791663243961969 F109A-D188A 0.0788247501973368 A74A-V82A 0.0787963707918538 L108A-F216A 0.0781608639045011 Y73A-V81A 0.0780851518587644 W148A-S180A 0.0775608234440366 L88A-I200A 0.0771316427831454 K58A-K69A 0.0770198676195997 L88A-S196A 0.0766865949763176 Y202A-F216A 0.0757762935315274 I172A-D188A 0.0754252659780985 M192A-P197A 0.075397468822642 I172A-G194A 0.0752836757756512 T77A-A115A 0.0751957059206783 C101A-K157A 0.0749016294524036 G194A-I200A 0.0746939895150058 E66A-K78A 0.0746512801314747 E66A-E219A 0.0742186842370345 D86A-F198A 0.0724119699936727 L183A-G195A 0.0717314803109694 E62A-E70A 0.0714505565772903 L102A-E151A 0.0714158866407958 G173A-G194A 0.0710642151089969 Q181A-N201A 0.0694939575508002 F105A-K157A 0.0692937568973138 N104A-K157A 0.0692376389920009 A189A-G195A 0.0691704288727015 K58A-W68A 0.0689653519406659 D188A-G194A 0.0689048356118755 T77A-F109A 0.068602917075647 C156A-D224A 0.067982231229081 T77A-R85A 0.0677793882254177 Q80A-N87A 0.0676153485957565 F109A-F185A 0.0668239792687331 I172A-L183A 0.0666796107604734 V63A-D79A 0.0665216339349293 S146A-L183A 0.0664083818214949 F152A-D225A 0.0662806483819343 T113A-G187A 0.0659059230759276 F109A-A116A 0.0653927767132911 I172A-Q181A 0.0650831858385539 S150A-Y221A 0.0646736083465864 C110A-A116A 0.0645749176202008 R72A-T77A 0.0645529784521928 A149A-C156A 0.0644105456334134 E151A-N178A 0.0642804829437313 D86A-S196A 0.0638831490927299 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