[Wed Aug 24 17:58:49 2016] >Input file: TM1YQ3CGD.pdb >TM segments: C897-917_C934-962_C980-995_D1002-1023_D1030-1047_D1062-1078 MAIDEN score = -19.5705 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 ----------- ---------------- H897C-N956C 1.20998755764172 W955C-V981C 1.00891828342175 F948C-H953C 0.914349376726362 H1043D-L1067D 0.834019035762065 Y952C-V981C 0.833281652176691 T1039D-F1075D 0.801491119508373 D1031D-L1078D 0.776462162828297 N956C-V981C 0.716223540934327 H897C-H953C 0.716101110553819 T1039D-T1074D 0.710895436890777 I1073D-S909C 0.667808473260681 Y952C-L982C 0.640706013549304 F948C-T985C 0.629209770425129 G1077D-F911C 0.613722012375867 V1030D-A1035D 0.602040569512335 G1042D-S905C 0.592836261836946 T1074D-V908C 0.590902307472317 R1009D-L1014D 0.585911163421963 R1009D-L961C 0.582388805954063 A1035D-F1075D 0.575523839655023 F944C-S989C 0.573659418968957 K943C-I992C 0.56627388929992 T900C-H953C 0.564666763835374 I983C-S988C 0.546955894507683 F944C-A990C 0.535198472250018 S951C-S988C 0.51829975271415 A1022D-V1030D 0.512756743399331 A1036D-F1075D 0.510838489460616 L938C-K943C 0.504807511844985 Y940C-A945C 0.50286415127498 L1015D-A1037D 0.467135315074348 Y940C-A994C 0.466997384213721 H1041D-H960C 0.465800752776143 W955C-L984C 0.462913908709126 F944C-A993C 0.460540135544008 L934C-I939C 0.457762668016954 A1021D-V1030D 0.457261215100752 L1070D-S909C 0.453068457251472 Y1032D-L1078D 0.448000660065945 S951C-L984C 0.443356641845655 Y1032D-A1037D 0.438974360996676 E1008D-T1039D 0.436760090632008 S941C-A993C 0.432675951544235 L984C-S989C 0.428729206044208 H1004D-R1009D 0.413745568554533 L1014D-A1037D 0.412640910877509 I939C-F944C 0.41169387880653 F948C-L986C 0.41169308196868 E1008D-W1044D 0.41015396408898 S935C-Y940C 0.409971578596412 T1076D-S912C 0.399489764071948 H1004D-H1043D 0.399188663460043 L1078D-S912C 0.392187112609113 V1011D-L1040D 0.390043442194206 Y952C-L984C 0.388781665606944 K943C-F948C 0.387674947770388 V1011D-A1037D 0.380964455386671 S1007D-H1043D 0.377401552884531 F1075D-S912C 0.373862180791149 A903C-A945C 0.369870813219662 L1034D-T1039D 0.367127649429035 P1020D-S1033D 0.366655966080898 S1033D-H1041D 0.36595361076656 V1062D-L1067D 0.365819462619561 H1004D-H1041D 0.362913686581885 L1078D-A915C 0.359043499408158 T1074D-L913C 0.358096086499243 K943C-P949C 0.347856447500424 I1073D-S912C 0.338992905074582 P936C-K943C 0.335969654691432 Y1068D-I1073D 0.332172938457318 S1033D-L1038D 0.33174548208468 R898C-A903C 0.331489981505937 D1031D-A1036D 0.330077787808244 T900C-Y952C 0.328609602626447 H1041D-H953C 0.328458237808967 R1009D-N956C 0.32688938619597 G1017D-Y1032D 0.326276788186961 A942C-A990C 0.326272608867104 F944C-I992C 0.32273398627581 H953C-S988C 0.31723766002938 G1045D-A903C 0.316536036453305 L1038D-H1043D 0.31397850519002 V1011D-L1016D 0.313282819528745 T900C-L950C 0.312400138640267 L1003D-E1008D 0.311204838395289 A1037D-S905C 0.309395747346014 H1041D-G957C 0.306492726338662 V947C-Y952C 0.305925765940882 W1005D-A1010D 0.301590664521136 G1042D-H897C 0.300921916361486 A1035D-T1074D 0.295375316816635 H1041D-G907C 0.290702878322266 P1020D-T954C 0.288596673528229 G1017D-G957C 0.286736325729926 L1018D-Y1023D 0.285639239033693 L1034D-G1077D 0.284995347243566 W1044D-T1065D 0.28440103194731 G1042D-A1072D 0.281762739683805 H1043D-H897C 0.281316415786357 L910C-A915C 0.279993660537404 L1070D-G907C 0.27994534084878 L1067D-A1072D 0.279937588941149 H1043D-S909C 0.273159383743193 A945C-S988C 0.272805807132018 S1012D-A1036D 0.2705792507681 V947C-S988C 0.269853688512957 E1008D-G957C 0.268636244989091 A942C-A993C 0.266463582565028 V981C-L986C 0.262699685696926 L1015D-H953C 0.25931401579194 W1005D-G1045D 0.258470502658093 S941C-G991C 0.257036723550264 L1018D-V1030D 0.25622407788337 H1004D-S1012D 0.256174154985257 T954C-T985C 0.25276554621148 L1038D-S905C 0.252473598399709 G899C-F948C 0.24829433177097 H1043D-L904C 0.248138065476229 E1008D-A1013D 0.248095461563048 T1065D-T1074D 0.246778020001022 A1035D-S909C 0.244863758654994 G1045D-N1064D 0.243189958877201 H1043D-L906C 0.243003253893766 G1077D-L916C 0.242588368748715 H897C-S905C 0.242523357603046 L946C-T985C 0.241909482524128 T985C-A990C 0.239730329038313 P949C-T985C 0.238649608104025 L1034D-T1076D 0.238463134610338 T1076D-L910C 0.237804893069047 S905C-L910C 0.237699645084229 N1064D-S1071D 0.234941228802326 T900C-T985C 0.23469101604134 G1042D-G1066D 0.234469356252078 S1007D-A1037D 0.232845025239541 S1012D-L961C 0.232181565939818 L1038D-T1076D 0.231610259506655 L1018D-S1033D 0.231089029082183 S1012D-H1043D 0.229249709719848 L1038D-S1071D 0.228597540105417 L1034D-G1042D 0.228350587764553 S1033D-S1071D 0.228011590819621 L904C-P949C 0.227274960825783 A1035D-L1078D 0.225738656572273 F948C-S989C 0.2255676495563 L1046D-T1065D 0.224785593627252 L906C-F911C 0.222795261813635 G901C-N956C 0.221987977427616 G1047D-V902C 0.21947579664225 S951C-A990C 0.21867062183986 W1005D-H1043D 0.218241942502356 S951C-A993C 0.215960950644207 A1036D-G1077D 0.215350455216444 V947C-S989C 0.214006779905277 L1046D-T900C 0.213593156182584 H1041D-T900C 0.212903350430131 S905C-S951C 0.211932453425266 G1047D-V1062D 0.210999370271521 Y1023D-D1031D 0.210457560980974 R898C-H953C 0.210084306301197 S951C-S989C 0.209185075181949 V947C-L986C 0.208902881761486 G1042D-F1075D 0.208287361983194 F948C-V981C 0.208088451861776 V1011D-Y1032D 0.207260597067199 T1006D-H960C 0.206429057033398 S951C-V980C 0.205004389240742 S1012D-G1045D 0.203571798301721 G901C-F948C 0.201535160033403 A1037D-S1071D 0.201099988456125 H953C-R959C 0.200810612593201 T1006D-L961C 0.198775465494817 A1022D-Y1032D 0.1986321351043 L1046D-N1064D 0.194906812957383 R1009D-H1041D 0.194669143011943 V1011D-H960C 0.193373427800684 E1008D-L1014D 0.192496284782838 T1006D-H1041D 0.192258967588546 L1046D-V902C 0.192059849384774 H1043D-G907C 0.191112809659464 L1078D-F911C 0.190429246475674 W1044D-Y1068D 0.189962899285127 P936C-G991C 0.189791314692424 H897C-V902C 0.188107903957176 H1043D-A1063D 0.187762874266898 D1031D-V908C 0.187477529369763 P949C-G991C 0.187329360543556 A1010D-T1039D 0.187311535656652 L1019D-V1030D 0.186005118518342 A1013D-R959C 0.185293609010339 Y940C-S988C 0.185069728021284 P936C-S989C 0.184853023207448 S935C-A993C 0.184793894489457 G899C-N956C 0.183921975674224 E1008D-N956C 0.18325686908491 A1021D-Y1032D 0.183084463983727 R1009D-H960C 0.181535171507695 G957C-T985C 0.180304750914412 L1078D-S909C 0.179451006816969 L1019D-T954C 0.179337873905533 G1042D-N1064D 0.17905899581153 G1042D-H953C 0.178029053051858 Y1068D-S905C 0.175428289648269 L1034D-S912C 0.174565488095315 I1073D-A914C 0.17433968248062 H1041D-T1074D 0.174334897760521 S941C-L986C 0.17405591934491 W1044D-R898C 0.173739717398902 V908C-L913C 0.172677778639299 R1009D-W1044D 0.17163693659621 D1031D-T1076D 0.171418802502744 L1034D-S1071D 0.17137542356301 R1009D-A1037D 0.170246561497759 N956C-L961C 0.169709046003734 G1045D-H953C 0.169193928661383 S1012D-S905C 0.16773732634986 G1042D-G1077D 0.167692015631937 G907C-A942C 0.167104403795129 T1039D-A903C 0.166762061061551 E1008D-H953C 0.166116283212405 A1037D-G957C 0.165351697241037 L1034D-S909C 0.164858818462269 G1045D-A1072D 0.164287543592278 H1041D-Y1068D 0.164133437681744 T1039D-S1071D 0.163926869577613 S1007D-G1045D 0.162194988702451 G901C-G957C 0.161887840914523 A1013D-G1045D 0.160606015925576 D1031D-T1039D 0.160379042815823 T1006D-W1044D 0.160332849148172 P1020D-Y1032D 0.160173616244501 T1039D-L1070D 0.159569193151567 K943C-L987C 0.159070717946058 H960C-V981C 0.158852512923873 G1045D-G1066D 0.156201943886639 L1019D-W955C 0.154344681008445 S951C-G991C 0.154323248451179 V1069D-T1074D 0.152988025398958 L1018D-L1034D 0.152975588500782 Y1023D-Y1032D 0.152960109695162 S1007D-S1012D 0.152790354876627 H953C-S989C 0.15248534780215 V947C-I992C 0.151982581288925 L1040D-S909C 0.151567681387816 Y1032D-V908C 0.151204083085975 V1011D-G957C 0.149887974074841 I1073D-L913C 0.148840648131622 A1022D-D1031D 0.148691157776671 A1010D-V962C 0.147945088660478 T900C-W955C 0.14688514751826 L1038D-Y1068D 0.146864331293801 G1077D-L906C 0.146337678342787 G1077D-L913C 0.14526071880977 A1037D-H953C 0.145158301503097 G899C-S951C 0.144987696351538 G899C-G957C 0.144465751856621 S905C-H953C 0.144027144846053 S1012D-A1037D 0.143972982907105 G899C-T954C 0.14267818693025 A937C-I992C 0.141999771137521 G1045D-S1071D 0.141600247650058 Y940C-L986C 0.14105634801893 S1012D-H953C 0.141042205094559 T954C-S988C 0.140177580548437 P1020D-D1031D 0.139801577980029 L1019D-I992C 0.138977051589496 A1035D-F911C 0.137260468359871 H1004D-A1037D 0.13676073300591 Y1023D-I995C 0.136697340242078 H897C-V981C 0.134417665976403 N1064D-V1069D 0.134203286809419 A1013D-H960C 0.133873729072453 S905C-L946C 0.133571583241189 L950C-W955C 0.133077080212615 V1069D-S905C 0.132415348587331 L1015D-L904C 0.132310517525572 T1039D-T1065D 0.132269612059669 A1035D-A915C 0.131216383298899 V947C-L984C 0.130063662161516 V1011D-L961C 0.129916751319622 H1041D-L1046D 0.129696822133871 H1041D-A1072D 0.128124941748811 T1039D-T900C 0.128024312055304 A1021D-A1035D 0.127722138218839 L1038D-V902C 0.127488690032282 Y1023D-L1034D 0.126983357726201 I958C-T985C 0.126595033903126 L1015D-T1039D 0.12658451713539 S1071D-G907C 0.126217094513871 L987C-I992C 0.125356298755323 V1011D-H1041D 0.12524298964766 Y940C-L987C 0.124938936396957 S905C-A915C 0.124891682016846 S1002D-S1007D 0.124668711098293 K943C-I995C 0.124164549320095 L1015D-N956C 0.123943782888662 P949C-A990C 0.123686811800682 S1071D-L904C 0.123343476944422 F948C-G991C 0.122616205094989 A1072D-A915C 0.122416984073283 H1041D-H897C 0.121806721715037 L1015D-L1034D 0.120294926965254 A1037D-S912C 0.120120311715844 A1072D-S905C 0.120091298943342 A1013D-S951C 0.120068867766922 L1070D-L904C 0.119807383924714 H1004D-G1042D 0.119619031826386 L1078D-S905C 0.119393499032581 L1038D-L1067D 0.118816192280413 L1038D-L950C 0.118117890559942 H1043D-A903C 0.117822859001662 G899C-G907C 0.117664088202464 L950C-N956C 0.117594251649084 S1007D-L1038D 0.117425933531866 S1012D-R959C 0.117317551662285 A1013D-N956C 0.116997524797598 A945C-L986C 0.116993786530089 W1005D-H960C 0.116931572531984 V981C-S989C 0.116857548697686 P949C-L984C 0.116777061275202 H897C-I958C 0.116547147536228 R898C-T954C 0.116285635406157 A1010D-G1042D 0.115954007398725 S951C-L982C 0.115891061726064 A1037D-G901C 0.115887128739169 S1012D-L1019D 0.11568391323148 S905C-L950C 0.115537544151832 L1040D-L906C 0.115429487715188 L1016D-S951C 0.11540958206184 S1071D-L913C 0.115271279436012 L904C-S951C 0.115119842370409 S1012D-L1034D 0.114789404483494 G899C-V947C 0.114484248955887 A1037D-L1078D 0.11448112753552 E1008D-I958C 0.114315566303861 L934C-S941C 0.113736401330096 L1034D-L904C 0.113690252490708 G1042D-G907C 0.113544068048212 S1033D-A1072D 0.113407628439717 A1013D-A1021D 0.113149089228845 G1047D-V1069D 0.112871887289823 A1013D-W955C 0.11266814487307 L934C-A942C 0.112510067333639 L1040D-G1045D 0.112242359268384 A1072D-L913C 0.112132902455024 L1015D-L961C 0.112031744845814 L1067D-S909C 0.11195088995751 L1067D-S905C 0.111890213930367 A1037D-G1045D 0.111432190202319 G1066D-T1074D 0.111373599347856 L906C-L950C 0.110857149213527 N956C-I983C 0.1106204699334 S941C-I995C 0.110472118197602 L1046D-A903C 0.110333778241291 V980C-S988C 0.110203723346653 P949C-L982C 0.109449969765788 W1005D-H1041D 0.109108394576342 L1014D-G957C 0.109076178818636 T1039D-V902C 0.108645912158952 A1036D-G907C 0.108621997435095 S1071D-L910C 0.108459987381909 R898C-S951C 0.108382664467555 S935C-A994C 0.108234863874783 L1018D-A1036D 0.107742628355295 A1035D-G1042D 0.107704947604128 A937C-A990C 0.107332429357949 Y952C-A990C 0.107231597047393 L1038D-L1046D 0.10708933112534 G1017D-A1036D 0.106555080653142 V902C-G907C 0.106411309582624 G907C-A945C 0.106396688995124 A1036D-S909C 0.105032884272431 A1010D-S1033D 0.104986330410461 I1073D-L1078D 0.104758200395644 Y952C-G957C 0.10450872529711 A1037D-S909C 0.10440004381798 L1040D-L1078D 0.104298767116124 A1010D-G1017D 0.103924710048048 A1010D-A1036D 0.103752424332547 T1039D-N1064D 0.103710243090776 L1015D-S951C 0.103469198260788 E1008D-A1036D 0.103180319686409 L1067D-V902C 0.102807243211169 L1015D-L950C 0.102716727796871 H1004D-L1040D 0.10216352984488 L950C-L982C 0.101741700283532 A945C-Y952C 0.101334787763217 A942C-L987C 0.10112650101828 A942C-I995C 0.100905824277594 Y952C-I992C 0.100817869520557 G1017D-T954C 0.100773352683662 A1035D-G907C 0.100320118962998 S905C-A945C 0.0999493759892935 L1070D-L916C 0.0998917390046561 S935C-K943C 0.0992521848027801 L1018D-L950C 0.099149346173673 T1039D-G907C 0.0984555207430488 H953C-V981C 0.0979178157841629 S1071D-A903C 0.0978058660340113 L950C-V981C 0.0977794094019124 A1010D-L1018D 0.0976078271664416 A1035D-V1069D 0.0973135891791697 A1035D-L1070D 0.0971655271634475 L1038D-A1072D 0.0966126187469625 V908C-P949C 0.0961689250824165 A1072D-L916C 0.0961630095607021 T1039D-G1077D 0.096144368464669 G1042D-G899C 0.0960743272774147 T1039D-G1047D 0.0959039555466048 G1045D-H897C 0.0957258185828938 A945C-A994C 0.09566337759949 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