[Wed Aug 24 17:26:18 2016] >Input file: TM2K1LATD.pdb >TM segments: A543-566_B545-565 MAIDEN score = -15.6121 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 ----------- ---------------- V551A-V551B 1.15313944759878 F553A-V551B 0.985640460546369 V551A-F553B 0.847089637879572 A550A-E547B 0.714911494025042 G554A-I552B 0.615730634552211 L555A-A559B 0.557370878254713 A559A-L555B 0.523456027578996 E547A-A550B 0.501080122413365 F553A-G558A 0.498541930281533 L555A-L555B 0.379673458809407 F553A-E547B 0.337691273715273 F553B-G558B 0.33392926207998 L555A-V551B 0.328319468190671 G564A-A559B 0.327813352758712 A550A-G546B 0.324678540026935 A559A-L562B 0.324448016941754 A559A-G564B 0.323851376924495 A559A-G558B 0.315801580790973 I552A-G554B 0.315550366180966 G558A-A559B 0.312411079874623 L562A-A559B 0.305313959642689 E547A-E547B 0.302693394090068 G546A-A550B 0.300931448190266 L563A-A559B 0.296735135904532 L563A-G558B 0.289996390022217 L543A-E547B 0.286930538014706 G546A-G546B 0.286191539892606 G558A-L563B 0.284410493953061 A550A-L555A 0.284285153011499 A559A-L563B 0.284240507736895 V551A-L555B 0.256487440188125 E547A-F553B 0.247242006681843 G545A-E547B 0.228883778126168 A550B-L555B 0.22875102919598 E547A-G545B 0.219139673649212 L556A-L555B 0.211138045257089 A550A-I548B 0.210752145765625 G558A-L566A 0.202508282891365 I552B-G558B 0.201754512087167 I552A-V551B 0.200695220974206 L555A-L556B 0.19972025198737 L556A-G558B 0.197699031661125 I552A-L557A 0.184740147724077 E547B-G554B 0.182667152359843 A550A-G558A 0.175916788425067 V551A-E547B 0.17546623394635 V549A-V551B 0.174647737469435 G554A-L563A 0.173952248074258 I552A-G558A 0.169208842687262 G554A-L562B 0.167815121177763 G558A-L556B 0.164417729725291 V551A-I552B 0.161469301317783 A550B-G558B 0.161312174970456 I552A-G558B 0.159667167314381 G554B-L563B 0.148965067265117 E547A-I552B 0.146759901181176 L562A-G554B 0.142926111765844 A550A-A550B 0.132434159156576 E547A-G554A 0.128667961504322 I552A-E547B 0.124166944047436 V551A-V549B 0.124023115650992 G546B-F553B 0.122504251367908 L561A-L562B 0.120487903774255 G558A-I552B 0.120362108084131 G546A-F553A 0.120237958833909 F553A-F553B 0.117405553224825 L562A-L561B 0.116560648738994 A560A-G554B 0.115952079669364 G554A-A560B 0.115347119971968 L556A-L563B 0.11174939050422 L566A-A559B 0.110764468913487 L563A-L557B 0.108666077881731 L563A-L556B 0.107069218463908 L566A-L563B 0.106684783741957 I552A-L561B 0.106008278752662 L562A-L562B 0.105693509658353 G545A-A550B 0.104787620980153 G558A-L563A 0.103987917307024 G545B-F553B 0.103296582250585 V549A-G558A 0.102839252662038 L555A-L563B 0.10188864637442 V549B-G558B 0.0999782853095807 T544A-A550A 0.0998699581368112 T544A-G546B 0.0997508662405224 L555A-G554B 0.0994407099731034 L563A-L555B 0.0990787126901778 L566A-A560B 0.0980949530062979 V549B-L556B 0.0980859653306023 L556A-L561B 0.0980831066698076 L543A-A550B 0.0973355226716919 G558B-L563B 0.0964628027177752 L555B-L563B 0.0951480943489962 G564A-G558B 0.0941941968239037 I552B-L557B 0.094150768803074 T544A-I548B 0.0940549866303613 L557A-L563B 0.0937544704458251 G545A-V551A 0.0926861605217457 A550A-G545B 0.0926186158705713 G558A-G564B 0.0926106147444745 I548A-L557B 0.0905397857681852 L566A-L555B 0.0901026432161069 V549A-I552B 0.0899990154148899 L555A-L563A 0.0893415263935189 G554A-G554B 0.0891934251434767 G558A-A550B 0.0888269241052537 G554A-L555B 0.0882084650351316 E547A-V551B 0.0826429419595263 I548A-A550B 0.081887349151061 I565A-L555B 0.081732843768004 I552A-V549B 0.081666291496262 L543A-V549B 0.0813540404886979 A550A-G558B 0.0811626362093363 I565A-L556B 0.0809072203611576 L557A-L566A 0.0795138662351622 A559A-A559B 0.0768559851824175 L557A-L557B 0.0762454960584442 G545A-F553A 0.0750421612545979 G554B-G564B 0.0741134276088257 L561A-I552B 0.0739109887086933 A560A-I565B 0.0738629518486452 L557A-I548B 0.0737324997401139 I565A-A560B 0.0737277447962241 V551A-A560B 0.0727259167704872 L555A-I565B 0.07237904215711 V549A-G546B 0.0715803047517101 G546A-G554A 0.0712417457846481 G554A-G564A 0.070948197375204 G546A-G545B 0.0702492600466993 L563A-I565B 0.0697286087220252 I552B-L561B 0.0694605312060288 E547A-L555A 0.068632945255533 G554A-E547B 0.0678715101097682 A560A-V551B 0.067785305633203 G545A-G546B 0.0667500306565514 A560A-L557B 0.0659398931572599 T544A-V551B 0.0658014471516806 I552B-L562B 0.0657910917322022 L557A-A560B 0.0657163587142976 L555A-G558B 0.0612099526726517 L557A-A550B 0.0609330883141759 I552A-L561A 0.0606943554262762 L556A-A550B 0.0603803467659576 L561A-G558B 0.059621705193242 G558A-L561B 0.0594120245945073 G545B-I552B 0.0587555380259506 L556A-G564A 0.0559098302211678 E547A-G554B 0.0550742463286753 L556B-G564B 0.0548358063308509 G545A-I552A 0.0534496329165851 I565A-L563B 0.0521463447576824 L555A-I552B 0.0518046970555375 T544A-G545B 0.0508692265749318 L543A-V551A 0.0502051798149301 G546A-I548B 0.0498768832516037 L555A-L562B 0.0489137054812284 L562A-L555B 0.0478124335603288 A560A-A560B 0.0455238162176048 F553B-L562B 0.0452416682911796 E547B-L555B 0.0451148058408952 G546A-V549B 0.0439075970762834 L561A-L556B 0.0435518469542844 L557B-L562B 0.0433769073678985 G546B-G554B 0.0430145959803299 I548A-G546B 0.0420830464023005 L561A-G554B 0.0401784942661423 L555B-G564B 0.0369706513563153 V551A-G558B 0.0366483681215044 L557A-L562A 0.0339378256114244 I552A-A550B 0.0336409659207515 A550A-L557B 0.0335147952829482 A550A-L556B 0.0330374540720538 A560A-L561B 0.0329710250866525 L561A-A560B 0.0325330121116481 G546A-I552A 0.0310518060361886 L555A-G564A 0.0309887120952865 G564A-L563B 0.0295133071177083 G554A-L561B 0.0283527836683075 V551B-L561B 0.0266508414759452 V549A-G554B 0.0264217626153203 L563A-G564B 0.0259115494931978 I552A-L562A 0.0254287386504828 L556A-I565B 0.0250586813675593 L566A-G564B 0.0238552202588043 G564A-L556B 0.02334429879963 G546B-I552B 0.021865865506563 V551A-L561A 0.0207732534674687 G554A-L563B 0.0204816849342542 V551B-A560B 0.019090169162272 I552A-A560B 0.0181037272556761 A550A-I552B 0.0145207681900903 I552A-A559B 0.0131104829911508 A559A-I552B 0.0120036801058503 I548A-V549B 0.0119328474247169 I565A-A559B 0.0112939685513442 G564A-A560B 0.0104984811520543 T544A-I552A 0.00763929654220075 F553A-V549B 0.00698311406362007 F553A-L562A 0.00625554050150612 L563A-G554B 0.00566770769168645 L566A-L556B 0.00526753971706029 G564A-L562B 0.00519214090417197 V549A-L556A 0.00448319006177833 V549A-G554A 0.00343767230333114 L556A-G564B 0.00212954199129367 I552A-A560A 0.000761014533272153 G545B-V551B -0.000848572025823557 A560A-I552B -0.0023791518492402 A559A-V551B -0.00575639969759711 G546A-V551B -0.0066910388930923 A559A-G564A -0.00820802016781563 F553A-L557B -0.00952335005164162 I548A-F553B -0.0102184191032406 A559A-I565B -0.0114599102768582 A560A-G564B -0.0124831087625683 G558A-V551B -0.0147838000779901 V551A-A559B -0.0150831994165586 L562A-G564B -0.0155449106828192 L543A-I548B -0.0160760400868289 L543A-G545B -0.0165334538257431 L566A-L562B -0.017343301397414 A550A-A559A -0.0174635247230155 A550B-A559B -0.0183798098658849 F553A-I548B -0.0218430809778987 A559B-G564B -0.022852880001258 L557A-F553B -0.0231628958297616 L557A-L556B -0.0238726808461358 V551A-A559A -0.0257350422708871 V549A-F553B -0.0258151705243979 L556A-L557B -0.0268888486970655 V551B-A559B -0.0277147257311349 L563A-L561B -0.0302159998405305 I548A-L557A -0.0332830866990896 I548B-L556B -0.0350793863786238 V551A-A560A -0.0372131606854538 A550A-V549B -0.0384806380583429 V551A-G546B -0.0434295774519882 L555A-L557B -0.0441594169291939 I548B-G558B -0.0473489007384726 L561A-L563B -0.0478472950049547 L556A-L562B -0.0480687053634874 I548A-G558A -0.0494913950211404 I552A-L557B -0.0511983126615068 L555A-A550B -0.0548701497413875 L556B-I565B -0.0590557115221806 L543A-V549A -0.0596658207997063 L557A-I552B -0.0601432270227074 T544A-A550B -0.0648590306578742 L556A-A559B -0.0652914955936001 L556A-I565A -0.0666413713347049 F553A-A559A -0.06929697159718 L543A-A550A -0.0693306092936314 G554A-A559A -0.0700583768861769 G558A-L555B -0.0711055676310117 I552B-A560B -0.0755765464583611 F553B-A559B -0.0790327406424618 I548A-G558B -0.0790777623164747 T544A-V551A -0.0824597351351898 V549A-L555B -0.0826275520596393 I548B-L557B -0.0837986219805389 V551A-G545B -0.0854803884918738 L561A-L557B -0.086334474429556 L556A-I552B -0.0865399605198915 I552A-L555B -0.0865429558311455 F553A-L562B -0.0867807168936934 V549A-A550B -0.087488451746629 F553A-A559B -0.0886920646736793 F553A-L561A -0.0911544226057373 F553A-L556B -0.0918574972014303 T544A-E547B -0.0919447394272384 A559A-F553B -0.0921580728089682 F553B-A560B -0.0924833294328393 I552A-L556B -0.0934561934706387 G558A-A560B -0.0934702420634461 L556A-A560B -0.093971727799488 A550A-F553B -0.094102149205467 L562A-F553B -0.0941812953908125 I552A-I552B -0.0955867216014505 L557A-G564A -0.0966012942734158 V551A-L562B -0.0967279903297884 L557B-G564B -0.096813295216625 T544A-V549B -0.0971587736324491 V549A-V549B -0.0972196855716732 A560A-G558B -0.0985897190724083 G558A-I548B -0.100065207013852 F553A-A560A -0.10155073368403 G558A-V549B -0.103559700743305 V549A-G558B -0.103652607796752 G545A-V551B -0.103984926330573 L555A-G564B -0.10437591380936 F553B-L561B -0.104559776133979 V551A-L561B -0.104965619977058 L562A-V551B -0.105328403153928 L561A-V551B -0.105331461571899 L556A-G554B -0.105425215175185 G564A-L555B -0.10571247860074 G554B-A559B -0.106255450995887 V549A-I548B -0.10640470652944 A560A-L556B -0.107902411349031 L557A-L555B -0.107910369086058 G545A-I548B -0.108725479183213 I548A-G545B -0.109853654196828 L556A-F553B -0.111005494831494 L543A-V551B -0.111275410869721 L557B-I565B -0.111380503795365 G546A-V551A -0.111984897061344 G554A-L562A -0.112040112188028 G554A-L556B -0.114046965564171 L557A-I565A -0.115059270896448 G554A-L561A -0.115610254811854 G546B-V551B -0.116705078616524 V549A-L557A -0.117437695117592 G554A-V549B -0.118135232474151 G558A-G564A -0.123294312798786 G554A-L557B -0.125834455545705 G558B-G564B -0.129313469274999 L557A-L561B -0.133078195152407 L557A-G554B -0.134945772413553 L562A-I552B -0.137555110815512 L555A-E547B -0.13838418887137 I548A-L556A -0.140797755761954 V549B-G554B -0.142408896720727 I552A-L562B -0.14264059697326 G554B-L562B -0.146641195906527 E547A-G546B -0.149226063962858 G546A-E547B -0.149310005985896 L555A-I548B -0.150980974045097 E547A-I552A -0.151566029319361 G558A-G558B -0.15252552543998 I548A-L555B -0.157547433869406 F553A-G558B -0.160670508656299 I552B-A559B -0.161247830894246 G558A-F553B -0.161710777374129 G554B-L561B -0.162778645171196 A550A-L556A -0.16389236097092 E547A-L555B -0.164918354828673 G558A-L562B -0.173685835243301 L562A-G558B -0.175672214010036 E547B-I552B -0.179812603989125 I548A-I548B -0.180802045917438 L556A-L556B -0.180954891623934 A550A-L555B -0.184182666342297 I548B-L555B -0.185326127692361 F553A-G554B -0.186421241338487 L561A-L555B -0.187405795494997 L555A-L561B -0.18775452419493 L563A-L562B -0.188246941763327 L562A-L563B -0.188452654291415 L556A-L563A -0.189096669390212 L556B-L563B -0.190048035327385 A550B-L556B -0.19058898417235 V551A-G558A -0.19112574948949 V551B-G558B -0.192719906441661 L555A-L562A -0.195754052091268 L557A-V551B -0.198120340619416 L555B-L562B -0.198945422441432 I552A-A559A -0.199854390092335 I548B-G554B -0.20016723858597 T544A-V549A -0.203725884443575 L555A-V549B -0.208205427183573 F553A-A550B -0.209682752027346 G545A-A550A -0.210463451427772 V549B-L557B -0.210983428679492 I548A-E547B -0.214983081354466 L562A-L557B -0.215047795244467 E547A-I548B -0.220671075058645 A559A-L556B -0.221553313252295 I552A-F553B -0.225798903139082 I548A-G554A -0.225825256609974 I552A-I548B -0.225976549110123 L557A-L562B -0.226662959461339 G554A-F553B -0.228770916260149 A550A-L557A -0.229850838249588 A559A-L566A -0.231083247723896 V551A-L557B -0.234965911668861 I548A-G554B -0.236401596915695 A560A-L563B -0.238441483779839 I548A-F553A -0.238853055215653 A559A-G554B -0.249797578592664 I548A-I552B -0.253916423802814 G554A-A560A -0.255596188356397 G554B-A560B -0.25872217278341 L556A-L561A -0.259055944103439 I548A-V551B -0.26070301286134 I548A-L555A -0.264968053672137 F553A-I552B -0.2650513396808 L556B-L561B -0.266117035808515 L563A-A560B -0.266535814019083 A550B-L557B -0.268068124159465 G545B-A550B -0.268710251554272 G554A-A559B -0.269515750013975 L556A-V551B -0.271671663316719 G554A-V551B -0.27257040155259 L562A-A560B -0.27287166465938 A560A-L555B -0.274261325529913 G554A-I548B -0.274306966718018 L555A-A560B -0.2761963118885 A560A-L562B -0.27745922275715 A550A-V551B -0.288904500117745 G558B-I565B -0.290024114878216 L557A-A559B -0.294007621476898 V551A-L556B -0.295461073467599 G558A-I565A -0.297346719608559 L555A-A560A -0.302653724777229 L555B-A560B -0.302946342403021 G558A-L557B -0.30308221162951 A559A-L561B -0.304900015471516 A559A-L557B -0.30506259037275 I548B-F553B -0.305219212119697 A560A-L566A -0.310761191683985 V549A-L555A -0.312897087207437 L561A-A559B -0.316582726156332 L555A-F553B -0.320171781470805 V551A-A550B -0.327089719728853 L543A-G546B -0.337562106991816 L557A-G558B -0.338528927644688 L562A-L556B -0.338661641056412 E547A-V549B -0.339296881125156 V549A-E547B -0.341795421039484 A559A-I565A -0.34232838351488 A559B-I565B -0.343612256849998 F553A-L555B -0.345557763658975 V549B-L555B -0.352184507319055 L543A-I548A -0.366728527968403 A560B-I565B -0.373799925220744 V551B-L557B -0.377546081178881 A560A-I565A -0.38789854208907 V551A-L557A -0.396824141630713 G554A-G558B -0.403399612083496 V551B-L556B -0.404930336376735 L563A-L563B -0.412579149358854 L561A-L566A -0.414570776465033 L557B-L563B -0.416901008103084 A550A-G554B -0.422010030767857 L557A-L563A -0.4231719476582 V551A-I548B -0.423505021049833 G558A-G554B -0.424878369808201 A559A-A560B -0.425450359912356 A560A-A559B -0.427399296241248 V551A-L556A -0.429511345960252 L556A-L562A -0.431623313184085 V551A-G554B -0.433431499435127 E547A-F553A -0.438134591740333 L556B-L562B -0.44766415617564 E547B-F553B -0.45761811889198 L555B-L561B -0.462775206098295 L555A-L561A -0.46721020134465 G554A-A550B -0.471410391876279