[Thu Aug 25 00:05:38 2016] >Input file: TM2KDCCGG.pdb >TM segments: A33-49_A55-72_A99-113_C298-316_C337-354_B152-164_B175-188_B208-223 MAIDEN score = -29.0167 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- E311C-D216B 0.789587853937558 D337C-E69A 0.789213665263896 M338C-I70A 0.732618114733876 I312C-M217B 0.731529430683201 I44A-D49A 0.671727388910577 A37A-V42A 0.637276019617417 A158B-V163B 0.636930088818856 V36A-A41A 0.625229196209987 V157B-A162B 0.624877163427795 V349C-W354C 0.621486126063284 V107A-W112A 0.621136009809922 I309C-N314C 0.585593045239703 I67A-N72A 0.584955711481264 R176B-I110A 0.56825222980079 I352C-R55A 0.566558757482035 A104A-V109A 0.563271657813209 A346C-V351C 0.563127092421066 I106A-T111A 0.545548608631698 I348C-T353C 0.54368896999372 L306C-E155B 0.457083876478901 H208B-D216B 0.454575690038248 L185B-E34A 0.453126214952029 V177B-S182B 0.432538808558244 V298C-S303C 0.432311951387345 R176B-I106A 0.432218592958337 V56A-S61A 0.432174483808653 I348C-R55A 0.429319715107752 V304C-A220B 0.426863449289073 A341C-V62A 0.424057586851919 V183B-A99A 0.422173842210828 L57A-V62A 0.414532225566505 L178B-V183B 0.414248152136129 L299C-V304C 0.414224260052719 S303C-V159B 0.412580780643859 S182B-V38A 0.412570373119311 K215B-A220B 0.410386838315633 S315C-H208B 0.397886258837923 V43A-L48A 0.390304774135272 A214B-A221B 0.379332528116548 A37A-A45A 0.373331280985293 V186B-G35A 0.371600414632699 L58A-M63A 0.370984712229914 L179B-M184B 0.370663365242542 V307C-G156B 0.37032339308923 L300C-M305C 0.369955786648068 L178B-R55A 0.365222208270644 L299C-R176B 0.363964750624618 V42A-W47A 0.363296390606918 E311C-M217B 0.358128442251092 M338C-E69A 0.358077026292741 V186B-E34A 0.357711177839886 V307C-E155B 0.356221266133414 R176B-C113A 0.351164739861221 L185B-V38A 0.350634707705039 L306C-V159B 0.349924072934039 R153B-A158B 0.346197586011342 Q33A-V38A 0.344300101161216 Q154B-V159B 0.343848112949595 N314C-K215B 0.343439831455504 R176B-V107A 0.34329086299782 V349C-R55A 0.343138545734879 R176B-T111A 0.320368396237619 T353C-R55A 0.320150849010923 M63A-N72A 0.310723925337877 M305C-N314C 0.310673413064049 M217B-V65A 0.307065653448979 C46A-I103A 0.306768923265407 M338C-V186B 0.305670842385728 H208B-S219B 0.295370941369871 M308C-L313C 0.289665875078195 M66A-L71A 0.289597387334672 M308C-R153B 0.287814936623292 V56A-V62A 0.282711147521661 V177B-V183B 0.282679101075946 V298C-V304C 0.282665315152254 R176B-D49A 0.282358493925479 A316C-L71A 0.278612667875789 V65A-I70A 0.277940626540921 V307C-I312C 0.27759876936324 D337C-V62A 0.273096820970955 V304C-D216B 0.272880419210183 S302C-A162B 0.253447101229998 S181B-A41A 0.252580582710505 A341C-M66A 0.251311457100983 M308C-A220B 0.250830538093596 M187B-A99A 0.250819026144526 R176B-A108A 0.24582694600454 A350C-R55A 0.245661175462222 R55A-M63A 0.241039608894267 R176B-M184B 0.240980720273385 D216B-A221B 0.240112235532057 D337C-A342C 0.239559376959535 V298C-L57A 0.237054773351758 L178B-V56A 0.236484486362897 L299C-V177B 0.234888693079505 L185B-G35A 0.232634564455349 L306C-G156B 0.232261339778298 G339C-N72A 0.23168599078917 N314C-G218B 0.231680516441277 I103A-A108A 0.226807484799222 I345C-A350C 0.225408115925381 E311C-K215B 0.225027483651443 A316C-G212B 0.223489574342988 S182B-A99A 0.222783248014481 L40A-A45A 0.222524571643302 S303C-A220B 0.222059821086952 A341C-S61A 0.222027384450064 V177B-S60A 0.211749147037047 V298C-S181B 0.211470590725418 S302C-V56A 0.211150434389216 V307C-F152B 0.208138917513087 M308C-R213B 0.206972541191395 I105A-C113A 0.205654047608811 C46A-I105A 0.205590345547366 S340C-S61A 0.202158756437875 S303C-S219B 0.202142145210087 L313C-M187B 0.201972100115526 M308C-L71A 0.201952576455702 M305C-V222B 0.201272513622449 V343C-M63A 0.201138129224156 M184B-V101A 0.201114850897139 G339C-I345C 0.201104575476937 A41A-D49A 0.200709307263046 L179B-V107A 0.195408743168494 V349C-L58A 0.19481059586562 S182B-V36A 0.19366092152169 S303C-V157B 0.193283150321185 L57A-M66A 0.193224974410365 L299C-M308C 0.193116095728413 L178B-M187B 0.192911949226207 R213B-A220B 0.192619111687632 T175B-W112A 0.19067316247797 S181B-M66A 0.187736192409859 S302C-M187B 0.187689052036693 M308C-S60A 0.187621147907441 L210B-G218B 0.179238421973425 M184B-V42A 0.178985843475914 M305C-V163B 0.178567630178906 S302C-L64A 0.176824949831798 L306C-S181B 0.176787171437919 L185B-S60A 0.176739125741529 S181B-A45A 0.176179401026263 S211B-A220B 0.174905651340101 L179B-C46A 0.174399863225746 M308C-V65A 0.174269306812768 V186B-M66A 0.174004564478807 V307C-M187B 0.173987243393816 M305C-V157B 0.173762048453191 M184B-V36A 0.173092283495617 I301C-V56A 0.173086988727308 V298C-I180B 0.172607753015507 S181B-L39A 0.172261972388974 A99A-I106A 0.17221616474291 A341C-I348C 0.17206406956522 V177B-I59A 0.172058339320419 S302C-L160B 0.17189576260346 L306C-S219B 0.171485741799539 S340C-L64A 0.171482508717364 W354C-I44A 0.170459998328933 M184B-S61A 0.170136755254558 M305C-S182B 0.170029388529755 S303C-M63A 0.170008502469944 S340C-L71A 0.169420531976368 L313C-S219B 0.168900336575184 V307C-V163B 0.168423091889771 V186B-V42A 0.168177240971523 V310C-R213B 0.167485206210275 V62A-I70A 0.166868375177419 V304C-I312C 0.166520369270961 G35A-A99A 0.162923793006298 L179B-T111A 0.162907148734257 G156B-A220B 0.162904895446507 T353C-L58A 0.162764219658458 A316C-I70A 0.161529084491524 T353C-D49A 0.160838014379201 I312C-I70A 0.157747182305245 K215B-L223B 0.156532740416061 L179B-C113A 0.156321945054155 R153B-A100A 0.155611961459311 I301C-T175B 0.155470931660456 I301C-L306C 0.154572294480023 I180B-L185B 0.154535971725818 I59A-L64A 0.1542855997715 M338C-I59A 0.150955276272278 I301C-M217B 0.150929498246478 M305C-I188B 0.150903875026691 I309C-M63A 0.150869491218237 M184B-I67A 0.150849101469254 M66A-N72A 0.149991838590482 M308C-N314C 0.149696060980928 G339C-M63A 0.149138731088349 M305C-G218B 0.14912035628341 M187B-V36A 0.147815448724408 M308C-V157B 0.147361986631161 I180B-V186B 0.146868879363311 I301C-V307C 0.146728008272677 I59A-V65A 0.146694152238544 V186B-A41A 0.146560217718194 V307C-A162B 0.146509043363338 E155B-I103A 0.146256034245851 W354C-D49A 0.145890561702814 I345C-E34A 0.145808191066018 M338C-A346C 0.144689522306165 N314C-N72A 0.143352740036942 S315C-N72A 0.143145172989857 M305C-A221B 0.141965205766305 M184B-A100A 0.141907468107307 A342C-M63A 0.141888226212838 I345C-V62A 0.141426904626795 I312C-K215B 0.141397446666501 R213B-A221B 0.141012291718912 A316C-M217B 0.140649982143049 V183B-I103A 0.140413700446214 T175B-S182B 0.137231980799637 M305C-S315C 0.136576261893957 M338C-V349C 0.135739875276393 V298C-V159B 0.135702664675514 V177B-V38A 0.135671040377645 V310C-H208B 0.134408208069904 E311C-E155B 0.133812759038954 H208B-A214B 0.132929100931781 L299C-L58A 0.132593878957111 L179B-L57A 0.132546285924991 L300C-L178B 0.13230731391458 A341C-V65A 0.131910326069516 S302C-V183B 0.131336180341468 S181B-V62A 0.131303129807163 V304C-S60A 0.131258090493189 V307C-A220B 0.131000197838315 L210B-K215B 0.130697424964079 E311C-I67A 0.128936649107996 I188B-E69A 0.128725206609634 S60A-V68A 0.128565683272118 V186B-A99A 0.128342847078233 S302C-V310C 0.128340722091101 L300C-V159B 0.128093247525636 S182B-L57A 0.127706526040653 L179B-V38A 0.127689399207254 A37A-I44A 0.127460307446714 L299C-S61A 0.127305465640541 A316C-H208B 0.12719928904103 S303C-L178B 0.126995531661732 I301C-M184B 0.126167016984509 I180B-M63A 0.126096423704462 S315C-V68A 0.12581537952015 M305C-I59A 0.125814727564149 A214B-A220B 0.125511160501338 A316C-S219B 0.124891682016846 A346C-S60A 0.124891682016846 S181B-A104A 0.124891682016846 E155B-A104A 0.124837455618405 M308C-I188B 0.124791092677402 G35A-A45A 0.12478635564101 I309C-M66A 0.124087596855475 M187B-I67A 0.124065666750102 A346C-E34A 0.12348999192151 E155B-L160B 0.122545974804481 V343C-V349C 0.122111408218599 V101A-V107A 0.121709415568109 S61A-V68A 0.121635561552903 E34A-L39A 0.121613642050344 S303C-V310C 0.121585020599101 S60A-E69A 0.120613425655391 L300C-A162B 0.120121323826975 S302C-E311C 0.120003595224266 L179B-A41A 0.119782834703794 I309C-G218B 0.119456903777903 G339C-I67A 0.119370529221459 M217B-L64A 0.119348974982789 W354C-A45A 0.119157364822854 M338C-L185B 0.119039013972704 V304C-V177B 0.118609299389392 L179B-L39A 0.118228888678436 L300C-L160B 0.118084093446601 V298C-V62A 0.117984798606205 V183B-V56A 0.117836553012251 L39A-L48A 0.117756729430975 M184B-Q33A 0.117331779827824 M305C-Q154B 0.116121433644055 S182B-L40A 0.115928625207062 S303C-L161B 0.115850162779316 V310C-S315C 0.11466279954313 L40A-L48A 0.114385564343766 E311C-A316C 0.113994434421056 A100A-V109A 0.113581264708674 A342C-V351C 0.11350773330803 M184B-E34A 0.113316083532208 V183B-A45A 0.113226273211765 M305C-E155B 0.113178408803762 N314C-R153B 0.112311807310251 G339C-V349C 0.111998158995435 L306C-L161B 0.111974582513039 L185B-L40A 0.111736917190399 L306C-A316C 0.111339114984173 T175B-V109A 0.110338473108741 A342C-G35A 0.110238733114986 G156B-A100A 0.109991960934908 V307C-L160B 0.108731880726428 V186B-L39A 0.108623680308292 V298C-A162B 0.108066047427073 V177B-A41A 0.107934413841793 L313C-M66A 0.107693603716243 M187B-L71A 0.107540328724689 S181B-V42A 0.107240963559096 S302C-V163B 0.106950094019936 S181B-L58A 0.106406685466047 L300C-S60A 0.106352082374125 S302C-L179B 0.106325078922614 G212B-A220B 0.10618472635249 R55A-S60A 0.105164301726973 A341C-G35A 0.10492870449901 R176B-S181B 0.10490944477901 V157B-A108A 0.10448273173176 A350C-V36A 0.10409324435892 G156B-A99A 0.103998643671244 L299C-A221B 0.103621806857356 A342C-L57A 0.103511101871539 L178B-A100A 0.103433191986301 V157B-V107A 0.102126244088042 S182B-I103A 0.101899689277368 L185B-L58A 0.10143681217077 L306C-L179B 0.101346033290624 L300C-L64A 0.101286480063652 I345C-S61A 0.101286323645277 V307C-S315C 0.101279500209003 A346C-R55A 0.101182372933562 R176B-A104A 0.100993765730166 V349C-L57A 0.100820273614396 V349C-V36A 0.100743128707489 V177B-A104A 0.100640456892312 A346C-V56A 0.100593626203197 L178B-V107A 0.100583477301639 V177B-L58A 0.100077704233519 V298C-L179B 0.100072415948433 L300C-V56A 0.0998837847238265 G339C-I348C 0.0994570003657183 Q154B-V101A 0.0992857561385434 V343C-Q33A 0.099119686221967 S315C-M66A 0.0981744303116558 L160B-L223B 0.0974197463992699 L39A-L102A 0.0974046452363351 V298C-V163B 0.096373705825294 V177B-V42A 0.0959476411513229 T175B-A45A 0.0957478750579721 I180B-I105A 0.0956148670627481 V310C-G212B 0.0955189366982636 A342C-I59A 0.0954395005086317 I301C-A221B 0.095321911564699 I180B-A100A 0.095160290028748 V343C-L58A 0.0942093390567642 L179B-V101A 0.0941880248202374 I347C-I59A 0.0940699861833867 L300C-V222B 0.093821008501572 L185B-L71A 0.0936854584960152 L313C-L64A 0.093652060243187 L299C-L161B 0.0936315855723486 E34A-E69A 0.0935806964804926 S340C-N72A 0.0934592828114167 V157B-T111A 0.0934177371190041 T353C-V36A 0.0932778297362895 N314C-S219B 0.0931850874758307 L178B-L40A 0.0929613652372852 I352C-L48A 0.0928515112374438 D337C-E34A 0.0925393118275979 V304C-L313C 0.0922261746435153 V62A-L71A 0.0919795166509854 M187B-V101A 0.091802252097442 V343C-M66A 0.0916779776587644 M308C-V222B 0.0914521874625818 I352C-L40A 0.0900665732617306 L161B-I110A 0.0898588387900373 L344C-L64A 0.0897299140297951 L185B-L102A 0.0895949903026847 L313C-K215B 0.0895580484279339 L306C-L223B 0.0895237643828457 A316C-V65A 0.0888721283987541 I180B-V38A 0.0888271395309763 N314C-S211B 0.0878981283828866 I301C-V159B 0.0878531469896604 Q154B-I103A 0.0875910699277629 S303C-R176B 0.0870773298850738 S182B-R55A 0.0869759127271132 V304C-L161B 0.0869427197477339 I345C-Q33A 0.0861641498863133 V183B-L40A 0.0861402212747717 A346C-A37A 0.0846199451524123 A99A-V107A 0.0845884432280579 A341C-V349C 0.0844196647911746 S303C-T111A 0.0842809198418699 T353C-S182B 0.0842797916171799 A158B-A104A 0.0838319673145991 T353C-S181B 0.0834509739547444 S302C-T111A 0.0834447802897697 V177B-I106A 0.0832190055153372 L300C-V164B 0.0831945241866461 V307C-A221B 0.0831779893997435 L179B-V43A 0.0828462593997796 A342C-V65A 0.0827852749172706 S182B-S61A 0.0827407541244067 V186B-A100A 0.0827353910125912 S303C-S182B 0.0827048328799993 S303C-S61A 0.0826112759229289 M305C-M187B 0.0825511643563439 M308C-M63A 0.0824957611814496 M184B-M66A 0.0824779093913728 I348C-V56A 0.0821904555739792 L178B-V109A 0.0821060316085811 V351C-L57A 0.0817801319446492 S303C-T175B 0.0815306338742302 A346C-Q33A 0.0814253204704831 R176B-V56A 0.0813649061045565 Q154B-A104A 0.0810452983720555 S181B-C46A 0.0809954331968205 V298C-R55A 0.0808857188011887 L306C-V177B 0.0803319175789265 L185B-V56A 0.0802786061536964 T175B-R55A 0.0802554466417131 V298C-L64A 0.0802043207500673 L178B-A41A 0.0801451778199058 L299C-A162B 0.0797162339075315 M338C-S61A 0.0794023066685874 S303C-M217B 0.0793243831427972 I301C-V222B 0.0789197579355152 V343C-I59A 0.078836457438487 I180B-V101A 0.0787048555575378 F152B-L161B 0.0783324829478058 G339C-G35A 0.0781649069256938 L299C-R55A 0.0777921092555531 R176B-L57A 0.077732863391149 V183B-I110A 0.0776143457927807 S182B-A104A 0.0775880266771765 I352C-V62A 0.077037227007227 A346C-S61A 0.076746171960532 S315C-A220B 0.0766228951283572 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