[Mon Aug 29 16:59:54 2016] >Input file: TMQ8NFT2S1G.pdb >TM segments: A88-95_A129-176_A185-198 MAIDEN score = 37.5847 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 ----------- ---------------- C168A-D191A 10 S169A-L195A 10 Q164A-I188A 5.07714009407192 I167A-I190A 1.53286846100429 V165A-P189A 1.43092529204195 R163A-F187A 1.40163112787781 V143A-S169A 1.28966449456907 C168A-S194A 1.20063017510929 I167A-L192A 1.10056018972057 V143A-C168A 1.06947098507888 C168A-L192A 1.06244435747622 F146A-Y166A 1.00484248455529 E131A-A198A 0.958375252150602 Y166A-I190A 0.949963390819807 E131A-I142A 0.920167840143453 K144A-L195A 0.919684323227276 I167A-R175A 0.824308434103404 V143A-I167A 0.740586038365311 F146A-V165A 0.740255098027368 R163A-P189A 0.728583450338807 V165A-F187A 0.709603351982445 V165A-I188A 0.646938625326145 A134A-L141A 0.626615736241823 S169A-G193A 0.617158549547946 V143A-L195A 0.616400220976638 L141A-A174A 0.615736071462293 R95A-L133A 0.614012615406784 C168A-L195A 0.607047135190594 C168A-R175A 0.594088439535048 P158A-F187A 0.579763650614798 G145A-C168A 0.575050372203492 V148A-Y166A 0.557536616803365 V143A-N170A 0.544482706098554 L141A-N171A 0.526857288824538 S169A-S196A 0.52207148280177 D160A-F187A 0.521872908181978 V149A-L154A 0.513472601913572 A130A-L195A 0.511724542004172 K144A-Y166A 0.493862422550894 V143A-A174A 0.486806004726532 L133A-I142A 0.479736863855132 Y166A-L192A 0.465529895002609 N170A-L195A 0.461167146463072 N129A-A198A 0.457195941403828 I142A-N170A 0.453797405730896 A134A-S140A 0.450800201600675 I142A-N171A 0.43746298744991 I167A-D191A 0.426339159836587 A130A-V143A 0.416136766668834 V165A-I190A 0.415446076364008 I142A-S169A 0.403098254202487 K144A-Q176A 0.399562090799012 I142A-L195A 0.396250742534876 L141A-S169A 0.390357029356542 A134A-I142A 0.383860860659776 K144A-N171A 0.382395335825932 I167A-G193A 0.378837594652502 V149A-R163A 0.369175354725461 R163A-I190A 0.366708866057607 A134A-A198A 0.365382574530371 R95A-N147A 0.345102221932 P138A-N170A 0.338739238297218 N147A-R163A 0.338662390013137 S169A-R175A 0.329517341695362 S169A-A174A 0.326100355095989 F146A-I167A 0.32443195218239 K159A-N186A 0.316285729259432 N147A-P189A 0.313136132987553 G145A-A174A 0.308363490851294 A174A-S194A 0.303378354163914 K144A-P189A 0.303174468178533 G145A-S197A 0.298858629546509 Q164A-I190A 0.286808734585671 N129A-G145A 0.277789634055661 V149A-D160A 0.274628570772932 N147A-V165A 0.272644993950819 A92A-A151A 0.27082934223982 V148A-V165A 0.269341344812234 N129A-C168A 0.265989329801148 L141A-N170A 0.265685910378054 L192A-S197A 0.263957792910836 A130A-I142A 0.261070990307397 R163A-I188A 0.259790802993545 K159A-F187A 0.259536807569898 K144A-C168A 0.259206295581175 S169A-A198A 0.255503600928305 G145A-F187A 0.254450939450988 Y132A-S196A 0.252920033550336 S140A-N171A 0.252322087169526 S150A-K159A 0.246852559254354 W152A-G157A 0.245428523548925 I167A-P189A 0.240963943003997 Y166A-Q176A 0.24092453141804 A92A-G145A 0.236210554512064 Q164A-N186A 0.235991364004874 S150A-Q164A 0.226336479447839 W152A-K159A 0.223461806548848 I88A-C168A 0.223392638835342 V149A-V165A 0.219728713992453 Q176A-G193A 0.219219459182402 G157A-Q164A 0.214042558070611 A134A-D139A 0.211297273849259 C168A-Q173A 0.209238469056406 V91A-L133A 0.206853874294617 Q164A-R175A 0.206172513761337 A92A-S150A 0.204707886085119 L133A-S140A 0.202238527241818 G157A-N186A 0.200517987586021 G145A-N170A 0.199081393794847 D160A-N186A 0.19833732717513 P189A-S197A 0.197221277871264 V148A-C168A 0.195295494945798 Q173A-S194A 0.19267734148634 F146A-A198A 0.190140584560682 S169A-S197A 0.189265584969437 R163A-N186A 0.187896711421778 V149A-I188A 0.184980395804009 L141A-C168A 0.183890741789086 K144A-A198A 0.183331875861692 N129A-F146A 0.179428838634139 V143A-D191A 0.178159878849959 E131A-K144A 0.176622526647011 D191A-A198A 0.176074673345776 N147A-F187A 0.175920961146998 I142A-A174A 0.175477536115912 G145A-I167A 0.173801085179733 A134A-S194A 0.172986549243591 Y166A-S196A 0.172548272975448 A130A-S140A 0.172074949026348 Y132A-S169A 0.170400712747401 R95A-Y132A 0.16792872738718 C168A-S197A 0.166893043637155 G145A-Q176A 0.166546712080406 L133A-S196A 0.166529555606766 E131A-N147A 0.165874116274829 A134A-S196A 0.160639206863614 S169A-P189A 0.159345251937535 Y132A-S197A 0.156174551364975 V143A-N171A 0.156111234582092 N129A-S196A 0.154589163436239 A92A-V143A 0.152005675664595 G157A-L185A 0.150857976888082 I172A-I190A 0.150355977224264 G145A-L154A 0.149152378175543 R175A-A198A 0.148967195615914 G145A-D191A 0.14720595966312 R95A-A134A 0.14669022794473 V91A-V149A 0.146156947064052 H94A-A134A 0.144997072121972 A153A-D160A 0.144005675578406 P158A-L185A 0.142422944854591 N171A-S196A 0.142106669728683 Q155A-R163A 0.141315027330288 G145A-I188A 0.140122146931621 I93A-Y132A 0.138950147112157 E131A-S196A 0.13758339017241 N129A-S140A 0.136663865135118 N170A-G193A 0.136448118835005 I142A-L192A 0.135904120853844 C168A-Q176A 0.134543449032792 Y166A-S194A 0.134446022951075 N147A-Y166A 0.132888914642228 H94A-A151A 0.132270312489037 L133A-C168A 0.131731961715619 I89A-A174A 0.130789131903451 S140A-L195A 0.129944544061011 N171A-Q176A 0.127652565744106 A92A-V149A 0.126657166390207 F90A-R95A 0.126239411496843 E131A-L195A 0.125503686545905 S135A-V143A 0.12362278267899 P189A-S194A 0.122553224686493 I93A-N129A 0.122293560714139 A161A-P189A 0.12178734977055 I88A-K144A 0.121737577118362 A134A-A174A 0.1207964865147 I142A-I172A 0.118911823254396 A92A-N129A 0.118188872721344 E131A-N171A 0.11817319707064 Q176A-L192A 0.117750353992241 A130A-I167A 0.117696631013649 V91A-F146A 0.117585431929311 V165A-D191A 0.115822060422737 E131A-G145A 0.115483565826908 V165A-A198A 0.11436944918656 I167A-S196A 0.114171936837922 L133A-A198A 0.112761463777857 V165A-R175A 0.112760740197754 G157A-V165A 0.11149346516122 A130A-S194A 0.111435569683891 N147A-R175A 0.111404287679834 S150A-V165A 0.1111226443349 C168A-G193A 0.110491309339912 A134A-N171A 0.109355842841416 L192A-A198A 0.109342612839541 G145A-L185A 0.108569594202592 I142A-R175A 0.10651206883688 L141A-S194A 0.106475107833349 A151A-S162A 0.104973404108326 P189A-A198A 0.103049452514344 P138A-A174A 0.102496352984699 F146A-G157A 0.10190593950231 L141A-Q176A 0.100875240775976 I172A-S194A 0.100624557171095 A92A-I142A 0.10045536527721 F146A-S169A 0.100399358692661 H94A-Y132A 0.0985263521223922 A130A-A198A 0.0983743474112661 N147A-I167A 0.097644088522177 F90A-A130A 0.0971700928479917 A130A-Y166A 0.096379057672745 N170A-D191A 0.0958321076384867 N129A-N170A 0.0956658573357759 A130A-N170A 0.0944377042301578 I89A-A134A 0.0943119866216939 S162A-L185A 0.094140206325303 Q176A-L195A 0.0939310428913578 I88A-L185A 0.0938017842234385 R95A-K144A 0.0937567902120557 I167A-S197A 0.092189446636743 W152A-S162A 0.0917763018831306 Q155A-F187A 0.0912492083018135 N147A-D191A 0.091167217995876 C168A-S196A 0.090379347670269 Q176A-L185A 0.0901636338628353 I190A-L195A 0.0890418920573612 I89A-A130A 0.0872161255228079 P138A-L195A 0.0855458610296989 N147A-L192A 0.0852270065196126 N171A-L195A 0.0841559778790257 I89A-K144A 0.0838342364921627 F90A-F137A 0.0837664068067401 V91A-N129A 0.0833513504698249 V148A-L192A 0.0818059725623317 A153A-I188A 0.0815250785437733 S150A-R163A 0.0813211222145398 A130A-F146A 0.0804328199990714 L154A-Q164A 0.0803410765403729 V149A-A161A 0.0798793806980753 N147A-C168A 0.0797534472585442 S140A-C168A 0.0793768663491161 V165A-Q176A 0.0790252795472519 F146A-A174A 0.0789110365373586 Y132A-S140A 0.0788202799435291 I167A-I172A 0.0784587655687359 G145A-Y166A 0.0766545715926994 N129A-V143A 0.0761173191148723 G145A-R163A 0.0750755053233769 I93A-A134A 0.0749233217516684 I88A-A130A 0.0747663513258741 V143A-S194A 0.0737435143572034 P138A-N171A 0.073402310944422 P138A-V143A 0.0727415130968492 A174A-L195A 0.0726371145840616 V91A-N147A 0.072475641832993 G145A-G193A 0.0722601781134328 S135A-K144A 0.0710721909113663 G145A-S194A 0.0707404043187805 I167A-Q173A 0.0700114237486474 Q173A-G193A 0.069149779758491 V165A-G193A 0.0685069633361173 I93A-A151A 0.0682773277501241 V148A-Q164A 0.0679726065159336 K159A-V165A 0.0679652693209345 Q176A-I188A 0.0679205734205283 F90A-R175A 0.0676242294022256 K144A-I172A 0.067186169130244 I142A-Y166A 0.0671236273753752 V91A-V148A 0.0670280724252752 A174A-L192A 0.0661482359098437 L154A-S162A 0.0658301644920476 A130A-L192A 0.065650582756741 A92A-A134A 0.0650664176807454 H94A-A130A 0.064352206629402 I190A-A198A 0.0637133926085331 L141A-I167A 0.0636220152535563 I88A-F137A 0.0633127800513351 I89A-L136A 0.0625153599671027 S140A-S169A 0.0621125448285351 A174A-D191A 0.0617462001517906 S135A-L195A 0.0609451314185931 I142A-S196A 0.06092433531657 G145A-S150A 0.0608749386100866 S135A-N170A 0.059277813281325 A130A-G193A 0.0589215203743416 P158A-I190A 0.0577238544756349 I89A-G145A 0.0576620457885921 D160A-P189A 0.0575439573413408 N147A-S197A 0.0572298292809679 I89A-F146A 0.0559672555641703 A161A-N186A 0.0558677807717975 L154A-I188A 0.0557756971718701 N171A-S197A 0.0555068301910495 H94A-L133A 0.0541153755961137 P158A-Y166A 0.0534206002057411 I167A-Q176A 0.0533521565764365 N147A-A153A 0.05329832220817 L141A-A198A 0.0532588536241276 A161A-I188A 0.0530337155130853 V91A-I167A 0.0518566827194302 N147A-Q164A 0.0515825435528865 F90A-L154A 0.0497961153688569 I89A-H94A 0.0494477364459023 Q173A-D191A 0.0480932326772683 L133A-L141A 0.0475759782880851 A174A-A198A 0.0473747790663026 A161A-I190A 0.0461250025565825 V149A-Q164A 0.0456088123419196 D191A-S196A 0.0450675668453244 H94A-E131A 0.0444476676724109 N171A-A198A 0.0434725342442457 S140A-N170A 0.042487125941435 A151A-L185A 0.040944993961417 S140A-Q173A 0.0393992919448838 F90A-N129A 0.0389688022285872 N147A-S162A 0.0388315557979912 A130A-K144A 0.0382911653372542 Y132A-C168A 0.0377954402756207 K144A-V149A 0.0377849971902477 K144A-N170A 0.0374783981815803 I89A-P138A 0.0370154482237055 L156A-S162A 0.0368649824744305 S150A-D160A 0.0364234101611152 V91A-S140A 0.0358948856143715 F146A-Q155A 0.0350085838147859 I88A-Q176A 0.0349783777122863 A134A-S197A 0.0346162409609967 L156A-F187A 0.0337915376937179 F146A-R175A 0.0335546832105638 A92A-L154A 0.0330672416255003 V165A-L185A 0.0330125221218172 G145A-A151A 0.0330036766294128 E131A-P138A 0.0325997273452212 L133A-S169A 0.0323615863448656 I88A-Q173A 0.0315341509546587 E131A-G193A 0.0311324634382892 Y132A-G145A 0.0301107066468642 W152A-P158A 0.0296798920576835 G145A-S196A 0.0290897012882647 F90A-N147A 0.0287666027454805 H94A-G145A 0.0283672098684216 R95A-L136A 0.027397069529167 N171A-L192A 0.0269184528246385 I93A-F146A 0.0262813727948155 G145A-A153A 0.0258814799676954 I142A-Q176A 0.0258540168160799 N171A-D191A 0.0251946792147707 E131A-V143A 0.0243289149374615 V149A-K159A 0.0239856228784885 I93A-N147A 0.0235200862362657 Q155A-S162A 0.0234818863204591 N171A-S194A 0.0224413312832947 F90A-A134A 0.0222476401007139 V148A-L185A 0.0212281131692038 V165A-L195A 0.0210806772693881 N129A-N147A 0.020696009526274 F146A-L154A 0.0206254475183512 A153A-P189A 0.0200206976725377 V91A-A174A 0.0196518900366405 V149A-L156A 0.0195717562905866 I142A-G193A 0.0194884283153387 N129A-S197A 0.0194254795284918 K144A-I188A 0.0192420893891779 L133A-N170A 0.0187505913220036 Y166A-L195A 0.0182457231944331 N129A-S169A 0.0180203336336793 A134A-R175A 0.0179613190290384 F90A-I167A 0.0178962660533832 A130A-N171A 0.0174591586895279 F146A-Q164A 0.017283384002349 V91A-Y132A 0.0162329084573791 V149A-I190A 0.0161264754644903 E131A-L141A 0.0157830937345862 V91A-L136A 0.0154773407140585 S135A-S169A 0.0150753514377606 A130A-A174A 0.0150202081079875 V91A-E131A 0.0138540441204992 A153A-A161A 0.0122154723715893 A92A-A130A 0.011786042114053 F90A-S140A 0.0116216387478442 G157A-I188A 0.0108920332258124 A134A-C168A 0.0105792221140915 S150A-F187A 0.00969462600763848 S150A-N186A 0.00936193994591861 Q176A-S194A 0.00918005544573086 D139A-S169A 0.0084226778071996 I167A-L185A 0.00760256398299575 A153A-V165A 0.00755493451762834 F137A-N171A 0.00745996406601623 A174A-G193A 0.00711928102105386 V91A-A151A 0.00685451337725773 N147A-I190A 0.00653101542885448 W152A-L185A 0.0058154826574599 E131A-S197A 0.00512850523667002 K144A-L192A 0.00339947314707878 F137A-A174A 0.00335541944145401 L136A-L195A 0.00314711820775848 S135A-S196A 0.0015942915619882 V91A-A134A 0.00106748751692343 S162A-N186A -5.64637527897816e-05 F146A-P158A -0.000758341887647784 L141A-S197A -0.000909273409252256 A174A-P189A -0.00186754716896775 K144A-F187A -0.00195790199164314 I167A-S194A -0.00261545991921963 D139A-A174A -0.00268814706718112 N129A-S194A -0.00319424767613286 I167A-F187A -0.00353259095877245 F146A-L192A -0.00402468971832448 G145A-V165A -0.00458053242368095 E131A-S140A -0.00584027928317443 V148A-F187A -0.00617924051793572 F137A-V143A -0.00654205433425092 A153A-K159A -0.00676120320442219 A134A-L195A -0.00705452841068643 L133A-G145A -0.00733646899720153 V148A-P189A -0.00746867202860457 R175A-I188A -0.00796562696754533 S162A-F187A -0.00825897728002722 I88A-G145A -0.0102188340306328 G145A-N186A -0.0138077844390372 E131A-I167A -0.0146402344699936 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