[Wed Aug 24 17:54:28 2016] >Input file: TM4HUQCGD.pdb >TM segments: S604-682_S690-711_T741-756_T759-776_T778-796_T817-834 MAIDEN score = -60.5172 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 ----------- ---------------- V676S-Q681S 2.02326142823992 I773T-I778T 1.22502862257247 K742T-L833T 1.13123564736834 I657S-I703S 1.12534222248166 V676S-T682S 1.09394432226671 F645S-V656S 0.980062452371503 V656S-I703S 0.958885915602244 D616S-A635S 0.885710824654153 D616S-L621S 0.867991614024145 M609S-V636S 0.842251212664813 L666S-L671S 0.814863669962519 W654S-A659S 0.806022823882553 F783T-T831T 0.803920571756678 S652S-I657S 0.756158775123214 V690S-E695S 0.74713158041279 W653S-I703S 0.741034554837427 F747T-F627S 0.712381017010871 W607S-A612S 0.705210253389937 T831T-T623S 0.694618507423149 S660S-I703S 0.689864276289304 M609S-A635S 0.683377626629998 T834T-L621S 0.681439781669068 L674S-Y680S 0.655846972390145 F754T-I678S 0.652205412103474 L621S-P626S 0.626076485585503 V667S-E695S 0.604043399544123 V667S-N672S 0.582145567374116 R691S-I697S 0.569485730621895 Y818T-F823T 0.556503636235904 Y642S-Y647S 0.55613463053158 F645S-A659S 0.549493605423979 F783T-M828T 0.545114193570317 I641S-R655S 0.541689357328814 G817T-R822T 0.538848987533653 M609S-L640S 0.536121308860311 V667S-R691S 0.533371392819696 L791T-F796T 0.529872481100039 S634S-L666S 0.529827966971426 R788T-I794T 0.527548277300014 P650S-R655S 0.523708914836223 S830T-L621S 0.522764180751862 D616S-F628S 0.520753555297466 W675S-Q681S 0.51803430879375 G608S-V636S 0.515371582506659 L637S-Y642S 0.504144810172793 L674S-M679S 0.494614890602183 V753T-R822T 0.491619739865296 F631S-L671S 0.489702737667468 M609S-L637S 0.488858572074745 S634S-L670S 0.485212400257629 V614S-G619S 0.482357666147534 L743T-C748T 0.482126138368949 I827T-G625S 0.480384937460538 W675S-T682S 0.467413734694341 A613S-V636S 0.466750716594452 G638S-I663S 0.461961958845832 I826T-P626S 0.457956798511679 I663S-N668S 0.45562435943628 M609S-S639S 0.454806410268837 I827T-P626S 0.454214545717929 G786T-T831T 0.447713762768337 P650S-K711S 0.444456136024325 K742T-F747T 0.438892709113388 A613S-V633S 0.43763917427996 F768T-I773T 0.436860361180289 S746T-M829T 0.430748123796808 A756T-Y762T 0.430652551931324 I773T-S779T 0.426468102665801 L646S-R655S 0.426420064582719 R822T-M679S 0.425085984274536 R691S-L696S 0.420408747172675 I766T-G771T 0.419427672430886 S634S-L671S 0.418054153675554 Y762T-A767T 0.413989073154756 V770T-S775T 0.410767295454767 V656S-Y707S 0.402263671196937 S660S-T699S 0.401274968682705 K694S-P700S 0.400746677598027 F783T-I827T 0.399156341794379 L646S-V651S 0.397940843597683 P605S-L640S 0.392742853435657 T834T-T620S 0.385676085861313 I819T-M679S 0.384757671347724 S746T-S830T 0.383065968301318 V651S-L710S 0.377492407769345 I787T-I827T 0.375179914169582 I750T-M679S 0.370171054238794 W653S-P700S 0.364457661119121 R655S-I703S 0.364345363963777 I794T-F820T 0.360588396454084 V752T-Y818T 0.356949842350653 I641S-L646S 0.354776199677952 A612S-T632S 0.353983152255836 I827T-G624S 0.352268374842899 L824T-M829T 0.349790560555377 Q649S-K711S 0.342747170049648 L833T-L621S 0.342683376904459 Y642S-Q702S 0.341436378704053 R822T-I678S 0.341273881167089 G638S-Y647S 0.339223067391264 I641S-L662S 0.333291859825472 G630S-L674S 0.331004893820342 G604S-A612S 0.32986069898992 L610S-V636S 0.327714865326288 S652S-Y707S 0.327699392470068 Y749T-V821T 0.324325076026087 I819T-Y680S 0.323525416013513 V661S-L666S 0.323136915374504 A612S-S639S 0.321473108263082 L665S-L670S 0.320341821710925 G786T-I827T 0.318949908533112 D616S-F631S 0.317883245057319 I764T-T769T 0.313822047549415 W606S-V636S 0.313315224350993 A612S-G630S 0.312074095657678 A772T-S779T 0.311693384127185 G630S-G638S 0.310631210107708 A772T-S830T 0.309228880215461 V656S-V706S 0.308524669574833 I641S-A659S 0.305125989675913 G604S-Y647S 0.30511716087749 D616S-T632S 0.302860280866297 Q702S-Y707S 0.299204380785113 V706S-K711S 0.298413153139512 V701S-V706S 0.297090253821633 V704S-L709S 0.294464431930769 S746T-G624S 0.29296494161878 G658S-Y707S 0.292962618947774 P789T-T831T 0.291819021663804 T669S-T682S 0.290990574197924 Y749T-G625S 0.283414534478084 A664S-L696S 0.281661436894706 I750T-F627S 0.279813658433341 G608S-L640S 0.274713564915662 G786T-M828T 0.274541509846395 W653S-T699S 0.269475826721717 V753T-I678S 0.266452558622207 M744T-V753T 0.2660727349674 I641S-S660S 0.263028373069881 T769T-L774T 0.262878688993268 L790T-G625S 0.262698077314435 I629S-S634S 0.262078381359943 L825T-G625S 0.261151193187331 P605S-Q649S 0.258610997595324 K694S-Q702S 0.257770755477065 G817T-Y680S 0.25680649680123 L640S-G658S 0.253700108989403 S830T-G619S 0.253345275119182 G619S-F631S 0.25094078863855 A664S-E695S 0.250831712210606 G817T-Q681S 0.250418378628433 L784T-G624S 0.248620323942882 G619S-F628S 0.24801828356503 S660S-K694S 0.246910724344407 S660S-Q702S 0.246181406887568 W654S-T699S 0.245236926618436 A643S-G658S 0.244706094425535 Y642S-V656S 0.244109624120725 L832T-P626S 0.24408057925962 I751T-A756T 0.244015721791112 Y647S-S652S 0.242287153445815 L671S-T682S 0.241935054691813 I787T-M828T 0.240780454564522 P789T-T620S 0.240668730146876 G608S-S634S 0.240594956422539 S746T-F627S 0.234389546367713 S652S-Q702S 0.233060068447135 I773T-M829T 0.229870509784785 T611S-L640S 0.22909440740894 D616S-G630S 0.228829718910789 V614S-I629S 0.227799076284478 L665S-T699S 0.226765069561927 S660S-L666S 0.226197484953422 G638S-N668S 0.225877514183598 T611S-L637S 0.225639404482564 Q649S-Y707S 0.224751007747623 S634S-N668S 0.224720747982273 T611S-T620S 0.223401808537588 P626S-L674S 0.22236503760781 L765T-V770T 0.222187458962663 S634S-N672S 0.221851567152697 R788T-M828T 0.221805225039052 T632S-T669S 0.220387232764128 S830T-F627S 0.219868408329653 P605S-L610S 0.219767629135641 T831T-P626S 0.219763873565729 G608S-V644S 0.219550068730205 G608S-V633S 0.216798558956663 W653S-K711S 0.215988092719243 F627S-M679S 0.215558028414447 Y749T-V770T 0.215064848456764 V753T-M829T 0.214365197496067 V752T-M829T 0.214297592168656 W792T-T682S 0.212914757788557 Y647S-G658S 0.212199413488448 N668S-A692S 0.212083548273278 L833T-G624S 0.211370183335609 C748T-P626S 0.211294332554029 T620S-G630S 0.210229474112638 Y762T-F823T 0.209896241376725 V615S-L621S 0.209699272851402 T632S-T673S 0.20960921689078 S634S-A664S 0.209140182372034 W607S-G638S 0.20888469923827 G630S-L666S 0.207199076669037 L696S-V701S 0.206859881175284 W606S-G638S 0.204405029020844 L637S-N668S 0.204050815602806 G658S-I663S 0.203211084906484 Y749T-I826T 0.203001285443727 W653S-V706S 0.202231043758356 I826T-M679S 0.202048729099022 W653S-G658S 0.201912436409409 K785T-W792T 0.201880907963416 G604S-P650S 0.200984485798213 A635S-Y642S 0.200089248368323 V656S-V661S 0.199746091599646 L780T-M829T 0.199732777262084 V795T-F823T 0.198993366155015 C748T-I766T 0.197625750300418 D616S-G625S 0.194756039154779 V615S-S634S 0.194644867342829 I629S-W675S 0.194196172455924 K785T-I827T 0.193270350232349 P650S-L708S 0.193059514638627 V752T-Y680S 0.193055579495191 G630S-N668S 0.192934352784143 Y642S-R655S 0.190534899234072 F823T-M679S 0.188767821455919 T611S-D616S 0.188677118019016 S634S-V667S 0.184916175553887 C748T-L755T 0.183768678784215 L666S-K694S 0.183322993406415 S634S-Y642S 0.18286212693303 I826T-T623S 0.182376899564476 V615S-T620S 0.182183789604965 R788T-V795T 0.181466299670288 L790T-P626S 0.18087687293115 P626S-W675S 0.180336963037158 L662S-P700S 0.179204628000639 F631S-V636S 0.179076110201236 L765T-G817T 0.178977548553513 C748T-L825T 0.178450641921791 G638S-L671S 0.177948158687273 L637S-G658S 0.177724490715922 L670S-M679S 0.17721718109999 V690S-L696S 0.17691786175787 L793T-N672S 0.176813674781105 V752T-I766T 0.175634318980324 M829T-F627S 0.175215396065424 M744T-V617S 0.17397338152727 S775T-L833T 0.173949621590251 Y642S-Y707S 0.173512226867802 Y749T-Y762T 0.173212081828353 Y642S-A659S 0.173154658861569 G604S-V636S 0.172623474522727 A635S-T669S 0.172213752413397 F783T-T834T 0.171208467288492 W653S-V704S 0.170519386297483 P605S-R648S 0.170483719907998 I819T-L824T 0.170467340653543 L832T-G624S 0.169667411040742 A643S-S652S 0.169418678187036 I663S-V698S 0.168891116158308 G630S-Y680S 0.167622612336935 I766T-I827T 0.167612767561619 I750T-I678S 0.166960486925062 V661S-V667S 0.166785137011924 G786T-L793T 0.166560488536344 L784T-G625S 0.166287872905264 V656S-V698S 0.166010684421677 A741T-T834T 0.165428077946887 G630S-V667S 0.165226057984227 G771T-L825T 0.164935401548318 G781T-M829T 0.16356118079847 V753T-L825T 0.163463071549827 I751T-I764T 0.163253458819362 L743T-G624S 0.162914126224605 V644S-V661S 0.162832440131687 K742T-T769T 0.162705009807333 V770T-V821T 0.161935276900211 I750T-I764T 0.161536003044598 P650S-L709S 0.161189145247315 G638S-G658S 0.160811562722258 R655S-P700S 0.16020729558247 F747T-V753T 0.159950669435704 A643S-R648S 0.159793425872692 M609S-G630S 0.159281588450377 A659S-V698S 0.159265068394834 L637S-I663S 0.158917524072701 T632S-L674S 0.156679083927081 I759T-I819T 0.156384177753467 F645S-P650S 0.154963135242472 A613S-G625S 0.154624895683057 C748T-I678S 0.154585591512547 M609S-V644S 0.154552870491389 V661S-V706S 0.152930692614195 K742T-S776T 0.152627832549127 F645S-R655S 0.152455998523345 V752T-A767T 0.150480699807292 N672S-Q681S 0.15028606364569 L745T-P626S 0.148809367775447 I750T-I766T 0.148737285349553 T632S-T677S 0.148507978448475 R822T-W675S 0.148235866330512 W607S-L646S 0.147905563138337 Y647S-Y707S 0.14778670230963 W606S-I641S 0.14707188814118 G608S-A659S 0.146960664496591 S775T-L780T 0.146905920019389 L674S-Q681S 0.146845438902095 Y642S-L666S 0.146063992477604 L755T-Y818T 0.146025793954934 W654S-Y707S 0.145833290227645 V644S-V706S 0.145115101293319 I657S-I697S 0.144867155954666 V667S-V701S 0.143683412241411 L671S-T677S 0.143381905711849 V753T-I766T 0.14330494282177 I764T-Y818T 0.142750948087404 T611S-A643S 0.142533868195344 F628S-T673S 0.142304902002669 V753T-S761T 0.142104745152232 V633S-L670S 0.142042321545615 I657S-L710S 0.141949971290845 V614S-S634S 0.141882335503149 I657S-L666S 0.141447114545141 I759T-I766T 0.141121478610418 F627S-S634S 0.14085994107395 V661S-I697S 0.140352337601886 I827T-I678S 0.139905455882405 Y642S-S652S 0.139900194953365 S776T-T831T 0.139809508984938 I826T-T831T 0.139256019569919 G786T-T620S 0.139214314790779 F783T-G625S 0.13871140500352 C748T-I629S 0.138575911752766 I750T-I827T 0.137436265935888 Y818T-M828T 0.137228770244462 I657S-V704S 0.137046164459405 I641S-V656S 0.136439979605811 G771T-M829T 0.135509015189867 L646S-L708S 0.135084623934198 I751T-I826T 0.134161339762537 Y642S-L710S 0.133304378444795 L671S-L693S 0.133091292018398 T831T-I618S 0.132982747288584 L824T-P626S 0.132630173068642 A635S-A659S 0.132117024099839 A772T-T834T 0.13151755674047 S639S-V667S 0.131317247082233 C748T-F627S 0.131136486176998 Y749T-Y680S 0.131078770643599 L743T-M828T 0.130774777216317 L824T-G625S 0.130714966162086 A756T-Y680S 0.130637908092114 S660S-P700S 0.130025423349136 V644S-Q649S 0.129908664842063 L665S-L674S 0.129701715127804 C748T-S830T 0.129602448063043 I657S-L662S 0.129242567022814 W607S-L640S 0.129197616530309 L793T-Y818T 0.128655226672242 T834T-M622S 0.128335139594975 F747T-G625S 0.127407016657847 S660S-I697S 0.127091115782867 V617S-S634S 0.126786799206408 V644S-R655S 0.126747842520375 L646S-L662S 0.126293099094275 I641S-I663S 0.126077261251633 L670S-Y680S 0.12607573634108 G786T-P626S 0.126069555960464 V661S-K694S 0.125894621289351 A767T-V821T 0.125400325946228 V636S-A659S 0.125341292576276 Y749T-A772T 0.125274894485248 F645S-Y707S 0.124775085900291 I826T-T620S 0.124646629492357 G625S-F631S 0.124413633789493 A664S-T699S 0.123748312352866 G786T-G619S 0.123639309660434 T831T-G619S 0.123609409688515 M828T-Y680S 0.123474933345172 I750T-G625S 0.123313335659624 G781T-P789T 0.123070876274359 P605S-V633S 0.122902211076308 I703S-K711S 0.122512366476565 P626S-L671S 0.122219967270526 S830T-P626S 0.121847820873401 V753T-L824T 0.121401128869996 I826T-T677S 0.121282007060036 G619S-I629S 0.121266278268328 S639S-L646S 0.120816467373482 V753T-I759T 0.120737096138425 S634S-T673S 0.120665560972497 N672S-T677S 0.120495707350527 V644S-S660S 0.120404103801566 F627S-W675S 0.12034199192149 Y762T-I826T 0.120039869119684 L780T-K785T 0.119433185946057 I826T-Q681S 0.119423643011333 T669S-E695S 0.118910457111709 L755T-Y680S 0.118839236483531 P700S-L705S 0.118415085233625 S639S-V661S 0.118393353139134 V770T-S779T 0.118374321603823 F796T-F820T 0.11763452362844 W606S-Y642S 0.11711597959478 Y647S-A659S 0.116783836368486 P626S-T677S 0.11652950675218 F783T-F823T 0.116252366313121 S652S-V706S 0.11569880405215 L610S-S634S 0.115633978926342 S779T-T834T 0.115616427696643 S660S-L705S 0.115509233862431 K742T-T620S 0.115425916752392 S652S-L709S 0.115299682395263 L666S-W675S 0.115231631626279 S652S-L705S 0.115103088358965 G781T-I787T 0.115084079935386 R788T-P626S 0.114685025496029 L646S-W653S 0.114658075716879 L743T-V617S 0.114534217775037 V656S-K711S 0.114490227354213 L610S-Y642S 0.114397418524167 G638S-L646S 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