[Fri Aug 26 17:18:45 2016] >Input file: TMD3BDG1M1D.pdb >TM segments: 12-38_ 62-89_ 106-134_ 158-179_ 239-262 MAIDEN score = 9.8898 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 ----------- ---------------- T248 -D254 10 M247 -P252 10 M247 -D254 10 M247 -L253 10 N171 -M247 9.19868749846285 P124 -L161 1.92019204805231 T248 -V255 1.49833214966059 I178 -S242 1.27773270161071 P28 -L67 1.20581423595358 L165 -K257 1.18753547875698 G243 -L250 1.17294444496543 V127 -F162 0.98444096484934 W109 -A173 0.883792985207621 V116 -I169 0.882552776032737 T24 -F68 0.80201969574721 I34 -L134 0.770554890905752 I178 -S246 0.751130764157844 R23 -V75 0.748595531409912 L35 -L134 0.740314362591196 V38 -R258 0.738674554606543 V127 -R163 0.695163207940297 Y123 -L165 0.689398025276851 F245 -L250 0.687408174296696 Y123 -L161 0.665795492769851 N171 -I249 0.658806250247921 V20 -A78 0.6420540498229 G16 -V75 0.637733438521416 V73 -L125 0.622241826526193 I34 -T130 0.620412500829984 R85 -S118 0.602325685507068 P124 -F162 0.594135907752134 I172 -S246 0.590373349370842 V127 -R258 0.590030154245624 F175 -L250 0.582520495904571 A112 -V170 0.576849412846006 I249 -R258 0.573031356822233 I178 -F245 0.569559504577529 T24 -V75 0.565840180226675 P28 -F68 0.553508115426094 N74 -K129 0.542953932637966 A168 -L253 0.538758737783301 G243 -I249 0.534806938106357 A27 -L67 0.532667751289942 V127 -L161 0.527003641225667 S176 -S242 0.52272730099316 L35 -S133 0.518835731702567 F175 -F245 0.512159569378969 A168 -M247 0.511592251990097 F245 -P252 0.49999775543479 G115 -I169 0.490511395623086 P80 -E126 0.488022777761622 G72 -K129 0.486022929196082 I84 -Y89 0.479506610436568 Y89 -A110 0.478759938752279 M247 -K257 0.474683324203565 V20 -V75 0.469451315600732 K77 -K129 0.467389944495766 R31 -L134 0.456694326677754 N179 -I241 0.452128532300937 G111 -I172 0.450734787217692 G243 -T248 0.444982664843203 A167 -D254 0.440746194613988 E30 -T248 0.437437630794095 A27 -F68 0.427983678014559 I172 -M247 0.42683364098259 T130 -M261 0.42651784761606 V38 -V255 0.412935349697068 L32 -Q37 0.412054536313645 K77 -L125 0.410669336749081 R31 -F68 0.40542153633442 V119 -L165 0.40479617961681 Q81 -T122 0.40333375176156 M247 -I256 0.40236087691939 G115 -I172 0.399101629871665 V128 -L161 0.398341241448562 G19 -V75 0.393912869932494 R163 -L262 0.39034286194719 A112 -I172 0.387070398753432 V38 -L262 0.38604827276005 H131 -L262 0.385970550115835 P174 -N179 0.384051384764854 F245 -Y251 0.383396444640331 G164 -I256 0.379427054638698 S118 -Y123 0.374690314753642 I178 -I241 0.372498247935183 F175 -S246 0.36982978694884 P80 -A121 0.367954538033614 T117 -T122 0.366584227873055 V21 -V75 0.365876999306763 Q106 -P174 0.363240535253964 V17 -V75 0.358374322273771 P28 -E62 0.358110722652692 V20 -L76 0.357514747722371 P80 -S88 0.353995723462716 A167 -I256 0.35145738751291 N71 -H131 0.351338260833256 L161 -M261 0.350818335543745 Q107 -A177 0.345356654247481 P28 -N36 0.343354511049304 Q81 -V119 0.341204842362368 V38 -Y251 0.340878595004409 N171 -P252 0.338674609239318 I84 -S118 0.330224860196459 S22 -K77 0.3249952320505 S82 -A121 0.320673102481219 G15 -A83 0.315031307903262 G72 -G79 0.313576651970619 Q81 -A121 0.313030522538896 P28 -N71 0.311950450522351 A18 -G79 0.311685579167228 Q106 -A177 0.311365435887379 T120 -E126 0.3088290423883 A173 -G243 0.308398921206146 V73 -V128 0.307734965842482 V127 -M261 0.306997408628192 V38 -D254 0.304101485954836 P80 -Y89 0.303838267936301 Y251 -R259 0.301797989313407 G115 -S166 0.300011373894067 P28 -T130 0.296192848183747 L253 -R258 0.294233587277586 N179 -M247 0.293393279349259 M108 -N179 0.292919754797044 T117 -P124 0.290710155498775 A240 -S246 0.288334851065398 E62 -R69 0.28826785319693 K129 -R258 0.285586376298642 A114 -A121 0.285519181323432 A78 -A121 0.282924234617546 G19 -S82 0.282383255183335 F175 -G243 0.281502963146865 V20 -N74 0.279586831488388 H131 -G164 0.278551276720575 P28 -N74 0.277867344466211 K33 -A244 0.277348759882337 C113 -N171 0.277117140806373 T122 -T130 0.276819687994402 Q81 -E126 0.276789905917801 W109 -T117 0.275391029954445 K77 -P124 0.275072594978588 F175 -S242 0.274370627991598 M247 -V255 0.273689603788047 R69 -L134 0.272540652957268 Y13 -Q81 0.269430463934995 G70 -V128 0.267786080697793 S246 -L253 0.267446958726082 V170 -M247 0.263478194085836 G164 -R259 0.262902778740393 G164 -M261 0.262485783895978 G243 -D254 0.261886045564569 N36 -S133 0.260908265895214 Y123 -R163 0.258423684815264 V170 -L253 0.257525870320011 V38 -L134 0.257057016491737 R85 -A110 0.25330278316472 E126 -R258 0.251112290987155 Q106 -G111 0.247095178734295 T248 -I256 0.245567309259731 G79 -A121 0.244498788176755 R85 -A121 0.242033966130105 L12 -P80 0.240475868262219 M247 -R259 0.239292392203958 V73 -V127 0.2388211953351 A168 -R259 0.238653362787103 Y123 -F162 0.237233417754216 E126 -L161 0.236863400725304 G111 -N179 0.236675218282922 T248 -K257 0.234517267077296 G160 -M261 0.234317181318124 Y123 -S166 0.233903271345184 K33 -R259 0.232464356058361 I84 -T117 0.231885740841453 G111 -S176 0.231219397908919 P174 -F245 0.230638212810625 G70 -T130 0.229139446718965 N171 -S242 0.229065303550284 A244 -L250 0.226590972249602 L32 -T130 0.224629782475711 Y13 -A83 0.224588321176571 A83 -A114 0.222519622166992 A240 -Y251 0.222134032905941 N36 -L134 0.221866533361579 V119 -E126 0.220297936950271 G72 -A78 0.216459695707783 H131 -R258 0.216408240956509 N74 -L125 0.214674079669508 G115 -F175 0.21405687251432 V21 -G72 0.21265159319068 F175 -A240 0.21169942167101 N71 -L76 0.210832607154104 P80 -R85 0.210763055576185 T130 -L161 0.209542383896582 R23 -Q81 0.208088159342501 S82 -V119 0.207111028979991 I34 -R259 0.203422421905152 G16 -G72 0.201888988271241 P28 -R69 0.199658468838529 L32 -N71 0.19954427776318 K33 -H131 0.199143701172813 I249 -K257 0.197426844327447 R31 -N74 0.197422031857249 L25 -E30 0.196689853118903 G70 -L76 0.196684413080821 N171 -R258 0.195712837243561 F162 -M261 0.195546384290832 K129 -L134 0.195417756250359 G72 -P80 0.194172773061673 Y89 -V119 0.194056569975213 N36 -T248 0.19353963668358 S242 -L250 0.192753873883444 G19 -N71 0.192639827919825 Q107 -C113 0.191969293497018 K33 -R69 0.19060351049294 T26 -I65 0.190440437689052 F68 -V75 0.190228845119902 G66 -H131 0.188531224826071 V119 -R163 0.186668074334954 S88 -A121 0.185561724910249 G115 -P124 0.185400550044427 T24 -L76 0.185090791942082 P124 -L132 0.184431255482418 G111 -N171 0.180103696331819 R31 -D254 0.179100583697231 A244 -P252 0.179082063249721 L125 -G164 0.178185206008519 G70 -K129 0.177482698303356 S242 -L253 0.177319528665564 T130 -D254 0.177256856058 R31 -K129 0.176971393965146 L76 -P124 0.176442977109185 R23 -K77 0.176281447902795 V119 -L125 0.174234774920906 S22 -L76 0.173034620756939 A83 -T120 0.173006328698931 A14 -S22 0.172336714161584 V38 -V127 0.172306507895953 G79 -Y123 0.171835004622816 G19 -A27 0.171703765398023 A110 -A177 0.171478035207098 L161 -S166 0.170536255618698 G164 -R258 0.170129615037421 R69 -H131 0.169066408206537 T26 -G72 0.168381705264636 S176 -Y251 0.16739799951602 V119 -V128 0.166036804091271 T117 -L165 0.165508323010577 K77 -T130 0.165123474263395 G79 -S118 0.165041721754642 T26 -G70 0.164467679375004 A167 -G243 0.164274822705405 A177 -I241 0.163201130824306 T248 -R258 0.162084027193536 G70 -A78 0.161636831452177 G111 -A167 0.161636831452177 G160 -A168 0.16106251358471 A240 -T248 0.160749784165058 G160 -A167 0.160721517966248 E30 -R69 0.160562070422628 G19 -G72 0.159808573482671 H131 -G160 0.156346425937027 L76 -Q81 0.15610118004851 A110 -S118 0.154995289989285 G19 -Q81 0.154536647241218 A244 -D254 0.154498168250185 G16 -A78 0.154312704549485 N36 -M247 0.15311248934858 T26 -K129 0.152861424188687 G15 -K77 0.152771152457344 P124 -H131 0.151455991234858 S166 -R258 0.149886759476948 V128 -S133 0.149539785481667 A112 -I169 0.149508474767488 N36 -T130 0.148002529792826 I249 -M261 0.147716005548423 E30 -F68 0.147565776860589 G66 -G72 0.147521348081364 T24 -G66 0.147224721615603 Y123 -H131 0.14659267616221 Q106 -A112 0.145997156652668 E30 -E126 0.145830672751331 R85 -A112 0.145798399066914 V38 -I256 0.143959489028134 A18 -K77 0.142452394672731 L67 -K129 0.141950844573427 L161 -K257 0.141507252927412 R31 -L132 0.141278219728919 E126 -I169 0.140395657976109 G15 -Q81 0.140215578239701 K77 -T117 0.137891550024502 N171 -Y251 0.137271076647832 N71 -K77 0.137241146313723 A112 -A167 0.136597091784461 G164 -K257 0.134329887691929 V127 -I159 0.132656924138722 A112 -S166 0.13166998680618 A173 -A244 0.131126359172236 F64 -S133 0.130989534946647 K257 -L262 0.130826167662725 S166 -V255 0.130705406499222 N171 -T248 0.130528891485024 R31 -G72 0.130528483190045 E126 -N171 0.130298502586461 V128 -K257 0.130258444184098 L29 -G70 0.129887622885578 T24 -T130 0.129796110437566 V119 -L161 0.129771949536653 T26 -T130 0.12926198347054 T122 -I158 0.128324586840342 E126 -S166 0.128245502205692 G115 -E126 0.128034426260479 V21 -L76 0.127930825164317 E126 -T248 0.127827025087724 V73 -A121 0.127785318393028 K129 -K257 0.12657491257536 L29 -I249 0.126463095725337 A14 -A83 0.126010789698227 N71 -L132 0.125209070506664 S118 -A167 0.124891682016846 A78 -S88 0.124891682016846 G72 -H131 0.124646750329079 M108 -G115 0.124413167860948 G160 -R259 0.124043750569869 S166 -P174 0.123758516981753 S176 -I249 0.123692701673624 G16 -A83 0.123643738321729 P124 -A168 0.122943551057506 I84 -G111 0.122809063885912 A173 -P252 0.122636984269385 V73 -V119 0.122150072514073 G19 -A78 0.121994614100063 V20 -P80 0.12191018891708 A14 -A78 0.121761548421514 F64 -N71 0.121397569190551 T130 -G160 0.121151857769779 S82 -G115 0.121068571519499 A114 -V170 0.120982993658486 G111 -V170 0.119890513108833 G164 -A173 0.119826177966432 A121 -I159 0.119761362112062 V73 -H131 0.119757714496164 L125 -I159 0.119580929805581 V17 -S82 0.118443669025535 A121 -V128 0.118097447062238 Y123 -I172 0.117616743090067 K129 -R163 0.117544989464157 P124 -L262 0.117542704420281 C113 -F175 0.117375811230428 F175 -M247 0.116392543037374 L29 -L134 0.116297305185376 A173 -D254 0.116277722180469 S118 -L125 0.115717814224675 I34 -G66 0.115420081683315 A168 -G243 0.114457986913452 R31 -R259 0.11431509580087 G15 -S22 0.113894163532944 I84 -C113 0.113691938771827 A110 -I172 0.113500564052629 S118 -L165 0.11305706840757 V127 -G160 0.113049069718309 T130 -R163 0.112369991159353 N74 -S118 0.112321344028552 L32 -K129 0.111794156745748 V119 -K257 0.111739867788835 A112 -L253 0.111560231194053 I169 -Y251 0.111119540854504 I158 -R163 0.111042284752212 T130 -R258 0.110551776568758 Q107 -F175 0.109969029008468 A177 -A240 0.109836387327172 A167 -Y251 0.109572201905255 G70 -K77 0.109178013726747 N171 -L250 0.108969749615445 S176 -A240 0.108953267170168 N36 -R69 0.108625750235845 L25 -L32 0.10819004624115 K129 -D254 0.10795793400572 T130 -A168 0.107929226998936 T120 -V127 0.10775946788408 S166 -S246 0.107621490204877 A114 -N171 0.107417690841284 A177 -A244 0.10733322109447 T120 -R163 0.107214555313227 A167 -I249 0.10718925762883 H131 -K257 0.106872878938552 A27 -I65 0.106544367419325 E30 -G72 0.106310079394872 A78 -G115 0.106100198363007 N36 -L262 0.106066945913299 Y13 -K77 0.105971333263502 T120 -S166 0.105928532257419 G111 -A168 0.105835945804109 G239 -L250 0.105300200169808 T26 -V75 0.105295214930246 V75 -E126 0.104855303172965 L25 -L76 0.104337605114784 Y123 -I249 0.103647153705888 V116 -V127 0.103055757554073 F86 -G111 0.103038478745063 M108 -A114 0.102879112467288 Y123 -I260 0.10262548983852 V38 -L253 0.102499565227878 L76 -L132 0.102104099944334 S88 -M108 0.101747486462217 T24 -S133 0.10173569801278 I178 -T248 0.101666162835878 S88 -A112 0.101639575619836 L29 -G66 0.10158905796467 G72 -T130 0.101042938648793 V170 -G243 0.10088543635172 R85 -T122 0.100742837928021 A114 -Y123 0.100365095312724 A168 -S242 0.0998090287757589 A168 -I249 0.0995739715449595 V116 -S176 0.0991995783831148 L12 -V75 0.0979046726012216 V20 -G70 0.0974118621938378 V21 -K77 0.0973509874384439 T120 -G164 0.0969290727738901 L12 -K77 0.096323098714175 D254 -L262 0.0959642182945599 S176 -I241 0.0959552421910592 S82 -T117 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0.0890947566745188 Q37 -M261 0.0887660842979825 T122 -K129 0.0881448428281777 A27 -L125 0.0878646296294834 T130 -G164 0.0878581873486287 V75 -A83 0.0871762355754564 G164 -T248 0.0871239667599278 I241 -T248 0.087123908323923 Q37 -R259 0.0870091139273244 T26 -I34 0.0868048846396832 A167 -F175 0.0867837026959828 R31 -E62 0.086559780961049 L12 -L76 0.0863804065223568 A168 -Y251 0.0858695151446796 N36 -Y251 0.0857711133000283 A83 -G115 0.0854686131676665 R69 -L125 0.0853661302211376 A78 -K129 0.0848545401261216 V73 -L161 0.0848447611511975 A173 -Y251 0.0845506963248353 S166 -T248 0.0844554042496 S176 -T248 0.0843026654403245 L161 -R259 0.0838353186821262 P80 -A114 0.0832753699963593 V20 -S82 0.0832661501825531 V38 -K129 0.0832112106132432 F87 -C113 0.0831528378291521 A78 -F86 0.0827956194260331 L67 -N74 0.0826114517232401 T122 -I169 0.0825776758581291 L12 -G79 0.0825034847929658 C113 -S176 0.0824861852120122 A240 -P252 0.0823935484858538 T26 -R69 0.0822211570234473 P124 -G164 0.0816666870195808 R85 -T120 0.0815680440798948 I172 -I256 0.0815244475538064 S82 -T120 0.0814102553759209 G15 -L76 0.0809553355070367 C113 -A121 0.0801416354910669 S22 -V75 0.0800249076703228 A173 -F245 0.079788251024663 V20 -Q81 0.078938639053348 V38 -G164 0.0780069584760619 V17 -N74 0.0779858938260922 T248 -M261 0.0778249473236967 I172 -P252 0.077818308626745 V127 -I158 0.0777717732034588 E126 -I260 0.0775501103727652 V21 -G79 0.0775352958044531 G79 -G115 0.0771640025157891 I178 -L253 0.0767472527462942 Q37 -R258 0.0764323062344873 K33 -K129 0.0762964726706379 R31 -G63 0.0759890249739958 E126 -F162 0.0756863207651701 G111 -P174 0.075425422445222 L134 -V255 0.0752710960809519 R163 -L253 0.0752220373218029 T248 -L253 0.0748851041588825 E62 -G70 0.0748800456803838 S133 -R258 0.074833132764258 T117 -A173 0.0746188760151179 R163 -V255 0.0745995293891026 L35 -M261 0.0739964209853892 L76 -V119 0.0739142869256302 L76 -V127 0.0736729664491393 E126 -M247 0.0735642327058574 T122 -G164 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