[Fri Aug 26 18:26:13 2016] >Input file: TMD9X008M1D.pdb >TM segments: 33-55_ 65-86_ 90-121_ 125-144_ 159-182 MAIDEN score = -5.9038 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 ----------- ---------------- Y47 -R98 10 K68 -M181 10 I79 -A164 2.42486870093698 V51 -S102 2.33384829150731 V51 -L103 1.80023120743072 L119 -P182 1.48472525970682 M72 -L171 1.34379585451512 M75 -L171 1.11446639999194 L119 -M181 1.10817317924224 G50 -V99 1.04895782181211 F78 -H105 0.994599706098085 V93 -R98 0.877722713309634 I79 -V168 0.860239122763968 A117 -K125 0.859610217635382 F78 -V168 0.805625858404797 L43 -L95 0.782809340329516 L71 -I111 0.729297622131485 L49 -V99 0.725050235331092 I172 -L177 0.722505033807651 K68 -V115 0.703016725752893 L83 -F160 0.687121282518905 L71 -I174 0.677282175734242 Y47 -L95 0.676953898753324 G173 -V178 0.673150141638633 L77 -A101 0.664341802313676 L43 -M94 0.658343908885556 F78 -A164 0.656428725541015 S85 -R98 0.618048769108604 Y47 -V100 0.604308545956985 S85 -F160 0.603148440368741 A55 -L103 0.598025593224352 M75 -A104 0.585037664766451 K68 -I174 0.584879140750684 K68 -P179 0.581609731970545 L49 -S102 0.581420137799115 V51 -A101 0.580650877712896 R69 -I174 0.573518388385241 G34 -F91 0.572294588318597 N82 -G161 0.557698692285665 Y47 -L103 0.556932992504688 L49 -R98 0.533211953811113 L77 -V100 0.526112779000234 N82 -I162 0.51663252430553 V51 -A104 0.516412910682141 A48 -V99 0.512501807331504 A55 -F109 0.497597969012906 M75 -V168 0.495607989855301 A48 -R98 0.490183398488135 A86 -T159 0.479618384275643 F53 -L103 0.464288625829743 M52 -L103 0.454492028177382 L74 -F108 0.451921835687798 M72 -R176 0.446025032124225 Y33 -A90 0.437364085477665 L84 -R98 0.433364119890381 G81 -V99 0.425441223356678 M70 -I111 0.422502383967397 F78 -A101 0.421213038835642 G54 -L103 0.419240520724433 H105 -M132 0.419126271131895 V115 -V120 0.418050929977136 V51 -V100 0.409001403014926 A55 -F108 0.39639306988628 L77 -L103 0.393625469320272 V51 -A107 0.389325025669329 A80 -V100 0.387642080821027 M72 -I174 0.37930476372726 Y42 -L95 0.372804576878032 T134 -A139 0.370087525153247 M72 -S175 0.369929852473604 F78 -V100 0.367604592874399 G46 -I96 0.367312966717824 G81 -V100 0.362649344421458 R69 -L74 0.359856334745423 R98 -L103 0.359750980114677 G76 -L171 0.357046170170353 V44 -R98 0.353738977855535 G143 -T159 0.330317408566114 A116 -G173 0.330122439825795 A116 -A126 0.329599466060682 S175 -P182 0.329561213087537 M52 -G106 0.32630621319748 S85 -A101 0.325811232117444 M75 -G170 0.324784963341411 L119 -D180 0.324307400618825 L77 -A104 0.322326781126405 G110 -A116 0.321694524527456 V51 -V99 0.32129912529496 S113 -A128 0.319375873955908 S85 -A90 0.317885413494738 G46 -G106 0.313058615669811 H105 -G170 0.310718681528552 A104 -A164 0.308851308007238 G54 -S102 0.298215776115877 G76 -G173 0.297647690826565 L71 -S175 0.297201183463628 K68 -A107 0.29522712614697 I79 -V163 0.295007198583249 M75 -V99 0.294781467762085 V115 -M181 0.288744528782388 K68 -L73 0.288447911005639 G112 -G173 0.283034123381539 A55 -I111 0.280858284765814 S66 -P179 0.279741620855493 S85 -M94 0.279034959499745 L71 -A107 0.278698830366572 G50 -A101 0.276138766658713 G97 -G161 0.27555215260729 L83 -V163 0.271698916968914 A80 -A165 0.270890154518947 Y47 -G97 0.270029253108406 A80 -A164 0.269188447128653 V142 -T159 0.268138354802499 R67 -A117 0.263831390422045 L71 -V115 0.260408975161745 R67 -M75 0.259799429940722 M132 -V142 0.259513508297751 L84 -V93 0.255821453006118 L71 -G112 0.253428669486401 K68 -R176 0.253224886694018 G54 -G112 0.251743447880949 M72 -D118 0.250118272246851 F53 -G106 0.249986067998424 V93 -V99 0.249727961499184 M52 -R98 0.249120437628774 G81 -G106 0.247907459800718 Y47 -I96 0.245240659549104 G135 -G170 0.244905447512845 L84 -G97 0.24400258021764 K68 -S113 0.243799998943365 A90 -G97 0.242578345782967 M75 -G167 0.241774644292217 H105 -G135 0.241556755897988 G46 -F53 0.241284157477886 T169 -L177 0.239136671403181 L71 -H105 0.234622731585926 L74 -A104 0.233366347648202 G46 -G81 0.231864562185907 A40 -R98 0.231416297627012 G50 -N82 0.230506474700278 M94 -V99 0.22997147120911 A121 -S130 0.229493382911249 G54 -G81 0.227414676759302 L71 -G167 0.22700448757412 G112 -A121 0.224603612669526 A116 -S175 0.222059197306737 V65 -M70 0.218927630316213 G112 -L171 0.21766164043353 I79 -G97 0.215727377556012 L71 -L171 0.21449159162308 S36 -A90 0.213673624686302 M70 -R176 0.213298188153372 Y47 -F91 0.211360736908799 F53 -G110 0.211344550569576 G46 -F91 0.211100191176904 M75 -V115 0.208763566612341 G54 -A104 0.208663123478109 R176 -M181 0.208259263385726 G170 -L177 0.20738602616504 S85 -A104 0.207116531343735 L119 -V178 0.206751895982913 G170 -V178 0.205976854959462 A48 -L103 0.205316315133849 R67 -A107 0.203497646783366 S113 -S175 0.203462899915842 M72 -L103 0.202872967801079 G46 -M94 0.199166277125492 Y42 -G97 0.198064180107981 L43 -R98 0.196523346168586 G46 -G54 0.196505339250368 V51 -G97 0.194168730128317 L71 -G106 0.193730734895405 T169 -I174 0.193571979612939 A92 -G97 0.192999873725767 V51 -G106 0.190953573106842 N82 -G97 0.190763712055684 A55 -H105 0.189897892720106 M70 -L119 0.189745826142278 R67 -V178 0.189236363128424 G167 -I172 0.188453365610387 G50 -R98 0.18750387428389 Y47 -A101 0.186590062875746 T39 -I96 0.185061290317918 A86 -F160 0.184002108197516 G112 -V120 0.183899502733157 V163 -V168 0.183038712869941 M75 -I172 0.181359489183688 M72 -L119 0.180772691594703 I79 -H105 0.179805682496015 L73 -G173 0.178682937708621 L73 -G112 0.17837345697442 M94 -L103 0.17833866575277 Y33 -P38 0.178027498976384 L73 -M181 0.177631953515018 G81 -R98 0.177472352050324 S85 -L103 0.177040653551154 L49 -L103 0.176694755129855 N82 -L95 0.176668154625235 G81 -T159 0.176453216092914 G76 -H105 0.175804073921164 G76 -F108 0.175393305000373 L83 -S102 0.175149760607201 G81 -L95 0.174378263915861 M75 -G110 0.173313916579989 F53 -A101 0.173211822154152 L74 -G173 0.172958839660064 A48 -I96 0.17284635043183 H105 -F133 0.171239278282337 V35 -G41 0.168927661563579 N82 -H105 0.168199544431989 A80 -A101 0.166285115911228 G161 -G170 0.165831240698563 A48 -G97 0.165704843197965 V142 -A165 0.165610519549576 G34 -L95 0.164166496634177 V65 -D180 0.162828891377541 M131 -L166 0.162640566653188 L77 -G170 0.162321475228531 T137 -T159 0.162280060718173 G76 -V168 0.162212652220761 A101 -G170 0.161636831452177 S66 -L119 0.161084626128651 Y42 -V93 0.159341627692244 L71 -F108 0.15789059029486 K68 -G173 0.15727613697659 H105 -V163 0.155782948531218 G81 -G170 0.155047891531789 M131 -G170 0.153745193625573 L103 -G167 0.153209749497955 G106 -I111 0.151949577861123 V51 -R98 0.151673505151559 A90 -I96 0.150439112030581 G76 -I174 0.150309476280826 V44 -H105 0.150170016698689 V35 -A92 0.149743993953488 S102 -F160 0.149603457306341 A55 -G112 0.149085528887166 G54 -L73 0.148362747767969 N82 -V100 0.147187930123853 H105 -A139 0.147160278447894 M132 -G170 0.145695514639209 G112 -S130 0.145233531041818 M52 -A101 0.144191512410346 A40 -V93 0.144151856286298 R69 -S175 0.1440849055055 G41 -M94 0.143667179609633 A116 -I129 0.142517942283262 F109 -A116 0.141810763704061 G161 -T169 0.141711530962373 G97 -A104 0.141679395555278 G54 -F78 0.13850787350819 L71 -P179 0.138269953056222 V100 -V163 0.138111674128457 F133 -V138 0.137833969736803 F78 -V99 0.137200010742516 S36 -V44 0.137111604917868 Y42 -A92 0.136909022656763 K68 -I172 0.136007814465677 G34 -A40 0.135889071551461 S85 -V163 0.135611602128968 L71 -P182 0.135499129991759 Y47 -L77 0.134855161759655 V35 -V93 0.134739705547054 S85 -V93 0.133739903189438 A80 -A107 0.133548653414518 G167 -R176 0.133316976074831 G112 -M131 0.13319842740282 A92 -A101 0.133013109073771 G173 -P179 0.132979947568794 G97 -G167 0.130910090424864 Y42 -Y47 0.129823012158186 A101 -A165 0.129284919890134 V114 -S130 0.129201247465012 M70 -G110 0.128431946792171 G50 -G110 0.127864371795959 G81 -A104 0.127570870419383 V168 -I174 0.126761953841898 F78 -V163 0.126503840493308 I79 -A107 0.126262668521544 G81 -T169 0.12621630946017 I79 -L84 0.125791911443342 V51 -G81 0.125597524761851 G50 -G76 0.125557611981909 G50 -F78 0.125338389106679 R67 -V115 0.124971270940859 G135 -I162 0.124562881505136 Y47 -L84 0.124376355087701 V93 -S102 0.123928905673562 A90 -R98 0.123691971997457 H105 -S113 0.123384022065903 V115 -I174 0.122849423220063 V120 -S175 0.122361770824026 R69 -G173 0.122158802038917 R69 -A107 0.121300276846645 G173 -M181 0.120688674086404 A40 -S85 0.120126537987144 V100 -A164 0.119975143118 G76 -S175 0.119630908006894 G112 -I129 0.119505697805089 D118 -P179 0.119396290540192 G76 -G161 0.118911833142811 S102 -V163 0.117887895886582 A80 -I96 0.117848321127902 P38 -L95 0.117784603520219 M75 -G106 0.117526985453566 I79 -S102 0.117179821046777 Y33 -L43 0.116823534037479 A48 -S85 0.116045346483185 A86 -G167 0.115942338397967 G81 -A92 0.115932680428963 G135 -A165 0.115909583205942 A48 -G81 0.11588160393123 G54 -G76 0.115850879635419 L84 -L103 0.115674020352659 V120 -K125 0.115417930052809 L43 -S102 0.115392380797931 L71 -L119 0.115069557452453 G46 -A90 0.114461630408202 A139 -G161 0.11434183357254 V120 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0.106364247165608 G112 -P182 0.106224576149332 G50 -M94 0.105325673213365 G106 -V114 0.105264956037757 V65 -A107 0.105174411691438 L74 -S175 0.104932056808936 S102 -G110 0.104519825308019 V115 -L171 0.104125455647959 G76 -G106 0.104113580982927 V141 -V163 0.104042407187025 V168 -L177 0.103483640049723 S102 -A164 0.10341677224102 V163 -L171 0.103096333298248 I162 -G170 0.103026664331675 G46 -H105 0.102836427246014 N82 -I96 0.102670883638684 Y42 -V51 0.102418087943438 I111 -G170 0.102193592687926 V65 -L74 0.102175035509288 G46 -V100 0.101450950217327 G112 -D118 0.101170160294036 A55 -S113 0.101103605331824 Y47 -A107 0.101037482111494 G41 -V99 0.100667734604131 M70 -I172 0.0986542480446779 V35 -M94 0.0986108300415012 R69 -G170 0.098041757341998 M70 -V178 0.0976176039029752 A117 -A126 0.0975207134144504 L73 -V178 0.0973854959332185 L49 -L77 0.0973159612709775 S66 -D118 0.0971631587458943 L73 -A101 0.0970681973737441 L77 -V168 0.0968866754371067 G41 -G50 0.0968395448085615 G34 -T39 0.0962204508188416 V51 -L77 0.096173626322182 F78 -F108 0.0959444849621889 S66 -A117 0.0957392007679831 T39 -A92 0.0957194449962175 L83 -V99 0.0954003978775022 G112 -A128 0.0951976831147459 G143 -F160 0.0949946550875569 K68 -G170 0.0947679339509896 L73 -V115 0.0946174726776783 T45 -G97 0.0945626846333583 A139 -A165 0.0945008299518975 L119 -L177 0.0943851394372359 G112 -G167 0.0937352781672831 G41 -G97 0.0935980351129904 L84 -L166 0.0934365866623543 V115 -G127 0.0931319810500164 Y47 -S102 0.0927665737430128 G135 -G167 0.0924878399560196 T159 -G167 0.0923164556583131 V163 -G170 0.0921420318239914 A116 -A128 0.0914885925476536 I129 -G135 0.0914480006864675 A104 -L166 0.0909567589504638 L84 -A104 0.0902654006872183 V44 -L103 0.0902445929749955 V138 -I162 0.0900707843065216 K68 -G76 0.0898226337553704 A117 -P179 0.0897253788512149 A107 -V115 0.0891593847870576 L43 -A86 0.0891031589154982 T45 -F91 0.0890856753327666 G50 -V93 0.0890167278549301 P38 -M94 0.0886740630172598 Y42 -M52 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