[Wed Aug 24 18:54:33 2016] >Input file: TM3S0XATD.pdb >TM segments: A528-545_A553-576_A578-591_A610-638_A703-716 MAIDEN score = -20.1685 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 ----------- ---------------- C563A-I584A 10 P591A-P611A 1.85110291381831 P591A-P614A 1.4560678776447 I541A-L553A 1.25342209997766 F564A-I584A 1.07495031375706 V617A-I709A 1.00374679214889 W529A-I584A 0.951105784423431 G536A-L589A 0.92833415683725 V590A-F613A 0.926063823243509 L532A-L586A 0.903043278495267 D579A-L705A 0.874028134920983 C563A-G587A 0.784788952324153 L532A-L589A 0.69454673939072 V537A-I557A 0.673158866047821 G536A-V590A 0.662413167935437 N555A-A588A 0.646245402942731 N555A-V610A 0.638484531196517 F571A-G578A 0.627507302092023 F571A-G580A 0.613508204888799 V561A-A588A 0.611665411450067 I562A-V610A 0.56879705735053 W529A-L586A 0.566772118896171 F539A-L589A 0.554287120968813 P591A-F613A 0.547405329278345 F624A-P708A 0.535550139389795 F618A-Y713A 0.529756762673566 F535A-L589A 0.528452952949076 F531A-G585A 0.522848818868079 F618A-S712A 0.512402994912967 F613A-T716A 0.502688829501526 A533A-F560A 0.50006488185814 L583A-I615A 0.47906170499744 F560A-I584A 0.47809183242272 L586A-P591A 0.476151320753949 V537A-L589A 0.462761300685598 I622A-P708A 0.46151432272626 G587A-I615A 0.452598185128324 N620A-I709A 0.450917271152771 I562A-P611A 0.44615843589157 F571A-D579A 0.444703687717756 G567A-K581A 0.442846664685064 S556A-L589A 0.4423652477928 I707A-S712A 0.441666226388138 F624A-I709A 0.432967867316338 S556A-V590A 0.430318919999074 A540A-S556A 0.411341284442164 L583A-F618A 0.403216744593793 G567A-I584A 0.398273394504051 F624A-S712A 0.395805509230358 F564A-K581A 0.390559707474308 I557A-A588A 0.3901419429187 N620A-P708A 0.382285864178058 S558A-A588A 0.378258585846233 S544A-L553A 0.377847280173167 V534A-A588A 0.373074490258503 F618A-I709A 0.372498808892835 C563A-L583A 0.370734280592456 I622A-I709A 0.367407086076781 S558A-V610A 0.36361853953218 V590A-P614A 0.35843202159993 A533A-L586A 0.356356152775694 L583A-P614A 0.354981898167119 S558A-P614A 0.353653478537523 W529A-G585A 0.349529529327665 A540A-L589A 0.343006078837807 Y568A-G585A 0.340195195547258 L586A-P614A 0.329070787622465 W529A-L583A 0.327926010792069 S556A-A588A 0.327488636073673 G621A-T710A 0.317943506953636 A540A-G559A 0.311603199925184 F560A-G585A 0.309427484855237 P591A-V610A 0.304775546305136 I584A-P614A 0.303625444660931 S556A-G587A 0.288760762300441 P591A-T716A 0.287180395353885 W529A-V534A 0.287102352326708 L532A-A588A 0.287099714016342 V537A-L553A 0.284750589821642 G576A-L583A 0.280756842761276 Y568A-S573A 0.270813347437562 C563A-K581A 0.267867615459773 D579A-G585A 0.266744885391535 C563A-P611A 0.259888483317746 G621A-I709A 0.253722480881536 P611A-Y713A 0.25167118403659 G621A-L711A 0.251029656302654 F560A-L589A 0.250925107402551 V617A-Y713A 0.250150134420355 Y568A-K581A 0.238131490556496 N555A-L589A 0.237881797784138 A540A-L553A 0.232888115039884 V534A-L589A 0.231089460266512 P614A-L711A 0.228987941616603 I584A-V617A 0.226629089196017 F560A-A588A 0.226254874035373 S544A-S558A 0.221217125272391 G621A-Y713A 0.22103847176637 L583A-T612A 0.220210202677099 K581A-P614A 0.21101448824946 S544A-P591A 0.209799401358136 L532A-V590A 0.209451619358185 L586A-T612A 0.209278874501856 A588A-P611A 0.208574150876229 L553A-P591A 0.208360947097709 G576A-I622A 0.204728062025628 I530A-G587A 0.204271581292043 F613A-V715A 0.201627747201455 G536A-I584A 0.201343787297271 L566A-G587A 0.197992651722082 G621A-L628A 0.197122436725543 L586A-T710A 0.194512753090551 G536A-I557A 0.19389550024017 D579A-T710A 0.193495089930824 V590A-P611A 0.192504379302976 I707A-T716A 0.191016242999305 F613A-G621A 0.188507513501947 P591A-I615A 0.186551728795465 I619A-V626A 0.186142466576968 S543A-L553A 0.185508853669704 K581A-L705A 0.184074714805687 I557A-T612A 0.182978947442169 K581A-L586A 0.181685316358362 S556A-P591A 0.18011904122833 N555A-L586A 0.179824696450035 G536A-L583A 0.179204206287659 V534A-F539A 0.176497426312967 G621A-I706A 0.176313194423441 P591A-S712A 0.175546493047171 I530A-K581A 0.175348783504531 V626A-I632A 0.175106286792447 V617A-I706A 0.174759052639658 N620A-L711A 0.173454448582143 G585A-Y713A 0.173395332353112 L628A-I703A 0.173013137312767 L532A-P591A 0.172278269347366 C563A-P614A 0.171243512975395 D579A-P614A 0.170213285550235 S544A-L589A 0.169985061716875 L572A-K581A 0.163585977362746 F624A-T716A 0.163454880368921 G585A-I615A 0.162534572089678 I619A-I706A 0.162056292850838 G567A-G587A 0.160131447751965 G574A-G580A 0.158324090020856 S573A-G578A 0.158109270999543 G567A-G621A 0.157737010331839 V534A-I584A 0.157434939651601 F535A-G587A 0.157327712423299 C563A-L572A 0.156611719472215 C563A-L589A 0.155932951396256 G559A-I584A 0.154856910785202 D579A-N620A 0.154855213718564 S558A-G585A 0.152270747402636 V534A-V561A 0.151809280775804 G578A-P708A 0.150093450086997 K581A-T710A 0.147654657480022 A533A-S558A 0.145840595643039 L583A-V617A 0.14513273972339 I557A-I584A 0.144467023336987 I528A-I584A 0.143273850776668 G576A-F618A 0.140973382027251 V610A-V617A 0.140879333476292 F571A-G576A 0.139321708154318 P704A-L711A 0.138619704856399 S556A-T612A 0.138497470446077 G580A-P611A 0.137710735038682 L589A-Y713A 0.137392429764483 V590A-V715A 0.137345993236672 S543A-V590A 0.136961658806758 G567A-F618A 0.13677976471663 L566A-G578A 0.136300888153704 L566A-P611A 0.135932015197888 L586A-S712A 0.135478188180928 I530A-G585A 0.134625588143994 N555A-P614A 0.134542459372933 I562A-K581A 0.134410913067271 I554A-T612A 0.134291110421817 K581A-I615A 0.134058778969993 I632A-L705A 0.13115488231519 G576A-P704A 0.130981914743208 I584A-Y713A 0.13067991446337 S558A-V590A 0.130284904008695 I554A-G559A 0.129862886199313 K581A-I709A 0.129812326198653 A540A-S558A 0.128971000902031 G536A-S556A 0.128586017714856 S558A-T612A 0.127941137950161 A588A-I615A 0.127595908088503 G576A-L705A 0.12731797831697 W529A-G536A 0.126332340007566 L583A-N620A 0.126204591292035 G578A-I707A 0.124699763356157 I528A-G587A 0.123774107263845 S558A-F613A 0.123448254215283 I615A-T710A 0.123117749943139 Y542A-I557A 0.122858318464136 I528A-G580A 0.122846901220306 I557A-G587A 0.122781528920101 F618A-V715A 0.122761959123675 L532A-G585A 0.122721180599049 L566A-P614A 0.12211583492574 S573A-G580A 0.121973086358642 Y568A-D579A 0.119911878780933 L583A-L714A 0.118672012094407 G536A-S544A 0.118430431503513 S544A-N555A 0.117750866626722 G585A-P611A 0.117272357279055 G559A-G567A 0.11591854523605 G567A-I619A 0.114765669717867 V626A-V631A 0.114557393993076 F624A-V715A 0.112595718834902 I632A-I703A 0.112137248109814 I584A-I706A 0.111755120640588 F531A-G587A 0.110808734977815 S558A-P611A 0.10894417080733 G580A-P614A 0.108559487667621 G559A-L589A 0.107391116063493 L583A-S712A 0.106330446601479 S543A-L589A 0.105970003671443 L538A-L586A 0.105648378566545 A533A-L589A 0.105349371174714 I584A-I615A 0.105144683606021 V561A-V590A 0.104983757963782 G587A-G621A 0.10480190722234 N555A-C563A 0.104525735095587 V617A-V626A 0.104503476234878 L553A-L586A 0.102767161484581 L583A-V610A 0.102035470909281 P614A-L714A 0.101973330946128 G587A-I709A 0.10141433107792 V561A-G580A 0.100666175664575 F627A-F634A 0.0996887838369158 I615A-I622A 0.0991838028167615 L566A-L586A 0.0986721768032703 G567A-T612A 0.0978620941738422 V534A-G585A 0.0976033398382707 G536A-S558A 0.0971555049855448 L566A-D579A 0.0962749659471127 A533A-I557A 0.096015285839405 F624A-Y713A 0.0952543278103408 G536A-V561A 0.0946059587300612 V626A-S712A 0.0944964113385494 L586A-I619A 0.0943295166973215 I622A-I703A 0.0938106631196733 L566A-I622A 0.0938017842234385 I575A-L583A 0.0938017842234385 V537A-S556A 0.0909767022949155 G587A-P611A 0.0907340292603669 G580A-I707A 0.0905410983662986 D579A-I706A 0.0903431738083285 L583A-L711A 0.0896736032555352 G576A-G621A 0.0890036919405097 L572A-I584A 0.0887697865420939 F624A-L705A 0.0879385896386249 I584A-T612A 0.0874897067568763 A533A-C563A 0.0873595218841166 F564A-G578A 0.0873002894993919 A533A-I562A 0.0872332295244318 L589A-T612A 0.0872155037216196 V537A-I545A 0.0868699627524379 N555A-P591A 0.086214404770339 A533A-I584A 0.0860434122012959 T612A-S712A 0.085901226195068 G559A-V617A 0.0857362937280238 G567A-L583A 0.0855553630806556 D579A-V617A 0.0849980242654933 L532A-S556A 0.0845664146003053 I545A-I557A 0.0842597078913996 I528A-I707A 0.0842597078913996 L532A-F613A 0.0838212742503897 Y568A-L583A 0.0830945483908332 G585A-I709A 0.0829810121612118 P704A-Y713A 0.0822510268902428 L553A-V610A 0.0819068931977331 L589A-V617A 0.0814297669807236 A533A-G580A 0.0807945535930799 I528A-I709A 0.0807305672253633 A533A-L553A 0.0806091705175813 G559A-P591A 0.0800306795034063 I541A-N555A 0.0796784339803764 G587A-F613A 0.0794870091507143 I528A-A588A 0.0792635646447533 L553A-V590A 0.0792628741054004 C563A-S573A 0.0792183891131739 L538A-N555A 0.0790451667759879 A533A-I615A 0.0786303240709988 L705A-L714A 0.0784902923462729 V534A-I554A 0.0776819492734029 V631A-L705A 0.0773221785958818 V626A-P708A 0.0769903120491222 Y542A-S556A 0.076363205671508 L586A-V610A 0.0760699401697333 F531A-K581A 0.0757648561288904 W529A-G578A 0.0748503806182557 F613A-L711A 0.0747544411402012 L532A-F564A 0.0747203317054521 D579A-P708A 0.0746146367442753 T612A-N620A 0.0744997770395148 V626A-L711A 0.0744172669066312 L532A-P611A 0.0736888896441938 G567A-A588A 0.0733530633426804 A588A-T612A 0.0732398349876315 S558A-G567A 0.0729115487351075 G580A-G621A 0.0725383602612114 V617A-T716A 0.0723489914647955 K581A-V617A 0.0692126938910267 Y542A-I554A 0.068950528591647 F560A-P611A 0.0672789729763288 F560A-G580A 0.0669039525496293 A533A-N555A 0.0668940577058836 L538A-G585A 0.0666190025319118 A533A-F613A 0.0655383238129943 I562A-V617A 0.0654492432072811 F627A-T710A 0.0654478710739466 I619A-I707A 0.0649937028981142 G536A-N555A 0.0646974456545291 I575A-L705A 0.0637763623033449 S556A-I615A 0.0637722192678303 D579A-I707A 0.0629076070421766 S558A-P591A 0.0623064621105929 C563A-I615A 0.0619972994547062 I565A-S573A 0.0618162310139407 F634A-I703A 0.061711091145022 L589A-F618A 0.0616227839912691 V617A-I707A 0.060636857137597 F539A-G585A 0.060010278563686 L583A-P704A 0.0597095083811334 G567A-L572A 0.0596239203750346 V537A-P591A 0.0591516405806052 W529A-I706A 0.0590077265348996 G587A-I619A 0.0589832402493231 V561A-P591A 0.0578587842576717 I565A-P591A 0.0577238544756349 I557A-V590A 0.0576969386380828 W529A-S556A 0.0574744647718095 G578A-I706A 0.0566256105375729 L628A-L711A 0.0560373726252608 I619A-L714A 0.0558123732240943 F624A-I707A 0.0553482907178506 G578A-I622A 0.0553237507728697 V626A-T710A 0.0552648370848612 F623A-I706A 0.0550647855844349 F535A-I584A 0.0549061600093484 G536A-L586A 0.0543987032274598 I565A-I584A 0.0538865645812727 I528A-V590A 0.0536002310299812 A540A-F560A 0.0532967386264849 F539A-G587A 0.0527941796455167 K581A-F618A 0.052673579311193 V631A-P704A 0.0526171110576144 G580A-V617A 0.0524923968042774 S558A-I584A 0.0520710112826334 I562A-F618A 0.0517904831493432 A540A-L586A 0.0509710811552146 G578A-I584A 0.0506908808990874 F560A-L583A 0.050559110894759 S543A-N555A 0.0504993958165776 I615A-L714A 0.0504577294346427 L586A-L714A 0.050385201811312 F531A-F564A 0.0500723737552247 L538A-G559A 0.0497240742931018 P614A-G621A 0.0496576254046142 G580A-A588A 0.049352211264269 I622A-L714A 0.0490684010237388 I557A-I615A 0.0487956198618171 I545A-L553A 0.0486521067841155 L583A-L705A 0.0485149062526551 W529A-L589A 0.0482051526304064 L538A-L553A 0.0480538684681227 F531A-F539A 0.047816538023044 I584A-V610A 0.0477251357910333 V561A-P611A 0.0472458438712926 P704A-T710A 0.0471965768271172 V537A-C563A 0.0468530498392052 N555A-G585A 0.0463802491246295 V534A-L553A 0.046093883166308 G580A-T710A 0.0454435775083271 V590A-T612A 0.0452735111980987 F623A-Y713A 0.0448117043642853 N620A-I707A 0.044795711474775 G576A-I619A 0.0447270384201164 C563A-D579A 0.0446384138262346 I528A-G536A 0.0437744085782512 S558A-L586A 0.0437551673039132 N620A-Y713A 0.0436319518403578 G580A-P708A 0.0435153958327876 P614A-I707A 0.0434782096841024 F618A-P704A 0.043134537563545 G587A-S712A 0.0426513263312547 I622A-P629A 0.0419102634955827 F535A-L583A 0.0415849430596875 G621A-V626A 0.0408362599445518 D579A-I584A 0.040800158292722 S556A-I584A 0.0403179062695225 W529A-F560A 0.0395864690538739 A540A-G585A 0.0392583321258453 I622A-V631A 0.0385132552567988 L572A-G580A 0.0384164066402253 P614A-F623A 0.0380635433970715 A533A-G567A 0.0368652965066896 I562A-G585A 0.0367919648968176 I584A-I619A 0.0364341873475409 G536A-I554A 0.0361468320336673 L628A-L705A 0.0355543206582833 I528A-D579A 0.034511854394514 I562A-F571A 0.0342276312936081 I530A-F539A 0.033830600584845 F624A-L714A 0.033775732433343 P614A-P708A 0.0336658387744606 G576A-I706A 0.0334338213009011 F627A-R635A 0.0333402890341374 L566A-A588A 0.0330377644754744 L586A-I707A 0.032706939986781 L589A-V610A 0.032699993658742 G576A-I709A 0.0323891255006021 G580A-S712A 0.0323857127208091 G578A-T710A 0.0322972813497748 V626A-P704A 0.0318868631463758 V561A-K581A 0.0315773439199493 F623A-V631A 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