[Wed Aug 24 17:23:52 2016] >Input file: TM1UUNATD.pdb >TM segments: A72-83_A112-121_B72-83_B112-121 MAIDEN score = 3.5756 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 ----------- ---------------- W72A-N121A 10 W72B-N121B 10 L119B-I78A 1.18984489295164 W72A-L119A 0.785414998977968 W72B-L119B 0.77885367635317 L74A-A117A 0.621877455728673 L74B-A117B 0.620470873638014 F80A-V113A 0.610401277355027 F80B-V113B 0.595651528198089 I78A-V113A 0.552077086416243 I78B-V113B 0.550366189646588 V76A-I115A 0.37334665966442 G112B-T83A 0.373100374692883 S114B-S81A 0.362658964908853 V76B-I115B 0.362330168741513 I115B-F80A 0.311167299178509 L119B-V76A 0.309243608239083 I78B-I115B 0.302442397618032 A117B-I78A 0.296231955261527 L74A-L119A 0.286720325229604 N121B-G75A 0.273665498458575 I78A-I115A 0.272114898749785 S116B-F80A 0.269983659950625 N121B-G77A 0.266756216106202 G75B-L119B 0.249718038413262 G75A-L119A 0.249384837229381 L74B-L119B 0.237209683129858 N121B-L74A 0.237070872260729 W72B-G75A 0.236043502558519 G75A-N121A 0.223625908967203 G75B-N121B 0.219965319432241 F80B-S114B 0.219024012045357 F80A-S114A 0.217050550925588 S73B-G75A 0.212798359117911 I115B-Y82A 0.20607715134316 S81B-S116B 0.199789621230306 S114B-G112A 0.193924602291402 S73B-S116B 0.193750572402123 S81A-S116A 0.193367512965323 S73A-S116A 0.192576800213419 N121B-S114A 0.184693944799547 V113B-T83A 0.184669532169326 G77B-G112A 0.173188301292548 L74B-N121B 0.170033212710758 G75B-G77A 0.162685262874267 L74A-N121A 0.161614641981203 L74B-G120B 0.155604410183736 L74A-G120A 0.154030077211525 S116B-Y82A 0.148220629283813 S81A-V113A 0.145724951426825 I115B-V113A 0.14499767271454 N79A-D118A 0.144267520501169 N79B-D118B 0.14417217342048 S73B-N79A 0.142755066153505 G120B-I78A 0.126226384547686 N121B-S73A 0.125115470109996 S116B-S116A 0.124264414007875 G120B-F80A 0.119502864339495 S73B-S116A 0.119317648763222 G77B-G120B 0.116378172838178 V76B-G77A 0.113887942946275 G120B-V113A 0.112832847286762 G77A-G120A 0.111294371793512 G77B-T83A 0.109906099643261 S81B-V113B 0.109651520992751 S73B-A117A 0.1038462130723 G120B-S114A 0.103615927435236 N121B-L119A 0.102348676571192 V76B-V113B 0.086531483975401 Y82A-S114A 0.0839735389263203 V76A-V113A 0.0827504962919985 Y82B-S114B 0.0758993235045469 A117B-S81A 0.0734646538894426 I78A-S116A 0.0687984131486497 N121B-N79A 0.0667338612640067 L119B-N79A 0.0660864369448482 N121B-D118A 0.0653712991259034 N79B-A117B 0.0631519298558108 L119B-S81A 0.0627932577089141 G120B-S73A 0.0627693507659699 G77A-L119A 0.0596374955826445 N79A-A117A 0.0595653006723471 S116B-I115A 0.0593672713942144 G77B-L119B 0.0593454957049753 N79B-S81A 0.0570039263072677 G77A-A117A 0.0556335764081207 G77B-A117B 0.0556100362488935 L74B-I115B 0.0541672104913546 L74A-I115A 0.0522048041135657 L74B-I115A 0.05179840947158 S81A-I115A 0.0506329002610402 V113B-G112A 0.0503442842339276 I78B-S116B 0.0486796350463425 A117B-F80A 0.0474277269029564 L119B-G112A 0.0460710870482339 G77B-G112B 0.0453847664849816 G77A-G112A 0.043829292230825 N121B-I78A 0.0433348303781473 L74B-G75A 0.0420303427804727 L119B-A117A 0.0408295405682284 N121B-I115A 0.0351435216669107 I115B-S81A 0.0351041853284544 S116B-G77A 0.033627179893863 G75B-S81A 0.032918867737724 S81B-I115B 0.0328259254805214 G75A-S114A 0.0304650394918591 I115B-T83A 0.0294686884391462 G120B-L119A 0.0248842671652998 W72B-F80A 0.0247572595702383 G77B-V113A 0.0241095524603678 G75B-S114B 0.021738546741755 S73B-N121B 0.0197117006673893 N121B-S116A 0.0194438419791361 G77B-N79A 0.018485137067437 S114B-N79A 0.0184281579781769 G120B-D118A 0.0116720122413274 S114B-T83A 0.0103777837454384 S73A-N121A 0.00994733588710384 V76B-V113A 0.00899236179758089 A117B-S116A 0.00355091291906451 I115B-I78A 0.00281039962002705 V76B-G112A 0.00280936347439908 A117B-I115A 0.00248585486815613 L74B-F80A 0.00199834730431014 S81B-T83A 0.00191031957124732 V76B-I78A 0.00150774832222478 L74B-S116A -0.000937799249931162 I78B-F80A -0.00202666081271907 G75B-G120B -0.00252401187629475 D118B-S116A -0.00292077831387094 N121B-V76A -0.00540734820993682 S73B-L74A -0.00573904482955734 L119B-I115A -0.00575977406878003 N79B-I115B -0.00646688712798105 G75B-V113A -0.00650204139878152 N79A-I115A -0.00766970185999027 A117B-V76A -0.00823354511600471 Y82B-T83A -0.00955486633477953 G75A-G120A -0.0097139404495783 G112B-S81A -0.0135089286848156 W72B-S116A -0.0137042475156941 L119B-L74A -0.0144323383086533 N79B-F80A -0.0150376189010437 N79A-V113A -0.0151538187514269 V76A-L119A -0.0154434346732035 A117B-G112A -0.0173652155894519 G77A-D118A -0.0287437975677913 L74B-S114A -0.029432151324615 N79B-V113B -0.0308270056925695 W72A-A117A -0.0308665937178376 W72B-A117B -0.0347842796757076 W72B-D118B -0.0384229379771097 W72A-D118A -0.0387059915202469 I78B-G112A -0.0408913704519662 T83B-S114B -0.041473026319918 T83A-S114A -0.0415687862774352 G120B-S81A -0.0419477043376042 G77B-D118B -0.0422647869205139 G77B-I115B -0.0423948658440025 S114B-V113A -0.0432334941830139 V76A-S116A -0.0433036792624115 D118B-G112A -0.0439334636138176 D118B-S114A -0.0466490446974208 V76B-S114A -0.0503651072902871 V76B-F80A -0.0511122373130135 G75B-I115B -0.0516739933353865 D118B-Y82A -0.0521403000781522 N121B-A117A -0.0522515827488921 D118B-G77A -0.053008096032686 V76B-S116B -0.0541937495245843 F80B-S81A -0.055558661839413 F80A-S116A -0.0555605206309103 F80B-S116B -0.0557122231357819 D118B-A117A -0.0582833461905898 S116B-N79A -0.0583828788926869 L74A-D118A -0.0596092993425219 L74B-S81A -0.0596426626627634 N79B-T83A -0.0604351198541457 S116B-S114A -0.0613705103519155 W72B-N79A -0.0616154626046788 G75B-V76A -0.062386838503496 L74B-D118B -0.0626163969401738 S73A-D118A -0.0645771036546651 S73B-D118B -0.0652529959590653 I78B-N79A -0.0654097172938561 S73B-I115A -0.0654335051325781 V76B-L119B -0.0658821447547311 I78B-S114B -0.069207285441073 N121B-W72A -0.0703624280514603 S73B-F80A -0.0735005429845412 L74B-I78A -0.0738230960912425 A117B-G77A -0.0752050076101182 G120B-L74A -0.0758651951714864 A117B-V113A -0.0773748821573479 T83B-V113B -0.0778926183097266 F80A-I115A -0.0800766750426938 F80B-I115B -0.0803420229839453 I78A-S114A -0.0805961321794055 V76B-Y82A -0.0808674685226862 T83A-V113A -0.0809271049034026 S114B-F80A -0.0834115220234179 W72A-G120A -0.0845456013800794 A117B-T83A -0.0846772578120967 G75B-N79A -0.0872667590824685 W72B-V76A -0.087805468509492 G75A-D118A -0.0902112796941703 I78A-D118A -0.0905980795330281 G77A-I115A -0.0936089369186055 G75B-D118B -0.0957073208362894 I78B-D118B -0.0968406055674293 W72B-G120B -0.0969062588925729 N79B-S116B -0.0977036125929135 N79A-S116A -0.0979560373655797 V76B-T83A -0.0981302340047145 G120B-S116A -0.0987898636216362 S73B-G77A -0.0992154675453804 G77B-Y82A -0.0997413123117536 V76A-A117A -0.100459418807618 D118B-G75A -0.100488732423693 G77B-S81A -0.101145015293633 Y82B-V113B -0.107073993879875 D118B-S81A -0.108062983637095 G77B-I78A -0.108281114527584 L74B-V113A -0.110833587289312 I115B-S114A -0.111724166201485 G75A-I115A -0.113101855784603 L119B-G75A -0.117768704394547 L119B-D118A -0.118180761077006 W72B-A117A -0.120745126930258 G77B-F80A -0.121830603411341 S116B-G112A -0.12420594014031 S73B-L119B -0.129599150674285 V76B-G120B -0.131001991893104 L74B-S116B -0.133216388569974 Y82A-V113A -0.133267178303915 S73A-L119A -0.133628221078394 V76A-G120A -0.135904454996414 V113B-F80A -0.140282541583419 G112B-Y82A -0.140338568717608 L74A-S116A -0.141238799034817 W72B-L74A -0.141875035066832 V76B-A117B -0.142165699998256 W72B-I115A -0.144243686594022 G77B-V113B -0.146652172666922 G77A-V113A -0.146654368579867 D118B-I115A -0.150424622811107 N79A-G112A -0.151025871304923 F80B-Y82A -0.153678591547213 N79B-G112B -0.156135716146041 S81B-Y82A -0.156902781450609 G75B-F80A -0.163746666756357 V113B-Y82A -0.163910256872134 S73B-I78A -0.165983393892733 G120B-N79A -0.17083655992996 A117B-S114A -0.176100516432329 S73B-A117B -0.177467352767975 S73A-A117A -0.178498758417046 G75B-A117B -0.178667110171679 S116B-I78A -0.180908322106711 L74B-V76A -0.184982686622502 I78B-Y82A -0.203798033732213 L119B-G77A -0.206195240670433 A117B-Y82A -0.207410622505593 D118B-F80A -0.215259868436458 L119B-S116A -0.217692450937052 L119B-S114A -0.218634527213371 G75B-I78A -0.218849031354093 T83A-G112A -0.219577086341235 V76A-S114A -0.225083940917925 N79B-Y82A -0.225582447308604 G120B-A117A -0.232441956778159 L74B-N79A -0.23269962116073 G120B-I115A -0.232919269628105 T83B-G112B -0.235099297685828 V76B-S114B -0.237112282802851 G120B-G75A -0.243369557734705 L119B-V113A -0.249960398699387 D118B-V76A -0.255377662373171 G75B-S116B -0.255804112145888 G75A-A117A -0.257151671934265 G75A-S116A -0.263913661739774 G77A-S114A -0.268174273043067 G77B-S114B -0.269006587837442 V113B-S81A -0.269804840147968 S116B-T83A -0.275921354796733 I115B-N79A -0.278050447771864 W72B-G77A -0.282763823147973 Y82B-G112B -0.288242297212573 S116B-V113A -0.28880727735717 I115B-G112A -0.291484788381918 D118B-V113A -0.292399359991363 Y82A-G112A -0.293769067407128 I78B-G112B -0.298931808907961 I78A-G112A -0.299126387964575 I78B-S81A -0.301285436179053 V76B-N79A -0.303467478402218 S73B-V76A -0.317408583187345 W72B-I78A -0.331892491724214 V76B-S81A -0.344956693994344 L74B-G77A -0.346637949213003 L119B-F80A -0.379435971098745 G120B-V76A -0.38755518653219 F80B-G112B -0.387979171426299 F80A-G112A -0.395958564965198 I78B-T83A -0.416381348105479 F80B-T83A -0.431610405382629 I78A-A117A -0.466592156598127 I78B-A117B -0.466639288074233 D118B-I78A -0.517692592843704 S81A-S114A -0.533965997233522 A117B-N79A -0.545674737235056 S81B-S114B -0.552263554364601 S81B-G112B -0.596206529213817 S116B-S81A -0.605667750649985 G77A-S116A -0.608290299678077 S81A-G112A -0.614947741686729 G77B-S116B -0.615864857510122 S73A-G120A -0.620733494941951 S73B-G120B -0.621606348741309 N79B-S114B -0.636199799306628 N79A-S114A -0.636544631019479 V76A-D118A -0.668775014527898 V76B-D118B -0.670320786077363 S114B-Y82A -0.730586556522227 G120B-G77A -0.917630039853526 D118B-N79A -1.07210924313009