[Fri Aug 26 16:54:39 2016] >Input file: TMQ1MFP4M1D.pdb >TM segments: 414-458 MAIDEN score = -1.7747 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 ----------- ---------------- V418 -Q426 0.74166994637043 I439 -Q444 0.631738671137001 G423 -S438 0.623475036817118 N417 -I427 0.544336501381843 V418 -I427 0.514774396003656 I422 -N435 0.48332073380253 D424 -Y437 0.413857117694958 I439 -N445 0.380729774768227 P430 -N435 0.371111743774788 S438 -F443 0.357554721409204 V431 -Y437 0.343066342719045 G423 -N435 0.336230885703946 D416 -V431 0.327237040468265 G423 -A442 0.326422199721464 W440 -P449 0.319208334841373 S438 -N445 0.26323848557599 D416 -G428 0.261643065863194 V431 -D436 0.253257360753178 D424 -R441 0.246536137200295 K414 -R419 0.234512432738057 G423 -D436 0.231397065972827 F425 -S438 0.228852409129791 Q426 -N435 0.223634871483321 S446 -A451 0.221890914214196 V418 -Y429 0.220524523180684 Q444 -P449 0.216857582230337 N435 -W440 0.213508894732559 N435 -F443 0.180314540823283 S446 -Y452 0.17736467027023 Y429 -N435 0.175216234809825 A421 -Y437 0.171254203896713 N417 -Q426 0.170728964258437 V415 -V431 0.169333230183208 S438 -S446 0.164731446712811 D416 -D434 0.163148493682331 D424 -W440 0.161176548317979 D416 -A421 0.156011248437312 I422 -A432 0.150352243179521 Y429 -Y437 0.14981044652107 F425 -F443 0.149522904693965 Y437 -Y447 0.148232611245729 D436 -N445 0.142406216847268 Y447 -Y452 0.141872799220965 Q426 -R441 0.140098290598678 D416 -A432 0.139334691228025 I422 -I439 0.138215315769647 N417 -Y429 0.131344416190681 A421 -I427 0.129649860359868 Y429 -S438 0.129217830046327 I422 -Y437 0.129210646061482 I439 -Y447 0.127585647607556 K414 -I433 0.127452599729434 D424 -N435 0.127137306830038 Y437 -S446 0.114281008714334 D416 -I427 0.112725534767873 N417 -P430 0.111758195233438 K414 -K420 0.111300446633424 W440 -Y447 0.110738246763142 W440 -A451 0.109603736651238 A432 -S438 0.108884164228475 R441 -A450 0.10818919842957 V415 -A421 0.107755872957056 A421 -N435 0.107501253543828 I427 -A432 0.104265209322559 V418 -P430 0.102264623864226 N435 -N445 0.0993119027163485 G423 -V431 0.0989601430784577 D424 -A442 0.0970264093222033 D416 -Y429 0.0921726229027335 K414 -D434 0.0906134885098158 D416 -I422 0.0903932301717904 V415 -I427 0.089985808054737 A451 -G458 0.087115297402673 Q444 -L453 0.0839415621563724 A442 -Y452 0.0801181229399464 A442 -A450 0.0789677394868105 D434 -F443 0.0788287876578944 D416 -P430 0.0777518779380292 R441 -Y447 0.077681395551199 A442 -A451 0.0764411268505105 A421 -S438 0.0749377212909328 V431 -S438 0.0738286618105684 D424 -P430 0.0733019098905061 Y429 -I439 0.0710956725029024 G423 -G428 0.0685789213220549 Q426 -I433 0.0685698525044327 Q426 -I439 0.0683938404851168 F425 -D434 0.0654527798714986 V431 -G458 0.0626218201181956 R419 -G428 0.0600189452304343 F425 -I433 0.0575683509665312 N435 -A442 0.0553231376416692 Y437 -A442 0.0505314968858634 N417 -G423 0.0502479536059246 I422 -P430 0.0413482990643794 A442 -G458 0.0409618061342529 G428 -S438 0.0403845099845639 P430 -F443 0.0327138975303902 K414 -V431 0.0312939613905808 V415 -A432 0.0312114362144102 Q444 -I454 0.0291796596020841 F443 -G458 0.0288162001595635 D434 -I439 0.0278452679828285 V431 -I439 0.0244119790287707 K420 -Q426 0.0241440436223859 Q426 -A442 0.0213382988279305 D416 -N435 0.0209539096854767 W440 -L453 0.0191005587454747 G423 -A432 0.0182607441340009 I439 -A451 0.0178618588344639 D434 -W440 0.0161891489573334 N417 -V431 0.0153905002223302 S438 -G458 0.0153729388746759 G423 -D434 0.0151255324002921 P430 -K457 0.013976311742621 K414 -I427 0.0124112101574445 A432 -Y437 0.0117849820437277 R441 -A451 0.0116569126112189 I439 -W448 0.0112380395615075 V415 -Q426 0.00970670154436659 D436 -S446 0.00950218866993671 F425 -A432 0.00944178521809125 I422 -D434 0.00642834329888231 G423 -Q444 0.00488784026306277 D436 -F443 0.0040789701017232 Y452 -K457 0.00364160156513549 R419 -N435 0.00330381568472404 P430 -A442 0.00315844374114338 I439 -P449 0.00191418379546882 Q426 -D436 0.000853634758358091 F443 -A450 0.00020861371692904 G423 -P430 9.65529820557975e-05 G423 -I433 -0.00103059094000812 W440 -Y452 -0.00134690027290674 I439 -G458 -0.00179071831631727 I439 -L453 -0.00200384002515541 W440 -I454 -0.00397511395103867 I422 -V431 -0.00471562938757586 I422 -R441 -0.00579166117761265 D424 -V431 -0.00614134327420235 R419 -Q426 -0.0070830755810416 F443 -I454 -0.0105041941824324 D434 -G458 -0.0114893949969077 I439 -S446 -0.0126275994678209 A442 -I454 -0.0168171249117652 V415 -G428 -0.0177340892811273 I427 -S438 -0.0180632604379003 D416 -G423 -0.0186438702434029 P430 -G458 -0.0200971201416311 I433 -S438 -0.0206680060983679 Y429 -G458 -0.0209641021540516 Q444 -Y452 -0.0244163724254047 V418 -V431 -0.0260628190403551 Q444 -A451 -0.0282772992984066 F443 -W448 -0.0299294425342977 K420 -I427 -0.0338642599079324 I427 -N435 -0.0362411792399993 N417 -I422 -0.0371698474178475 R441 -Y452 -0.0385321045914915 D436 -Y452 -0.0393188350031738 F425 -Q444 -0.039842852976772 Y437 -W448 -0.0401340814040835 Q426 -D434 -0.0402312933996151 K420 -Y437 -0.0407610158355913 K420 -F425 -0.0408432509692664 R419 -F425 -0.0408532133535369 I422 -G428 -0.0408913704519662 D434 -A442 -0.0412830611264714 A421 -D436 -0.0425046393853812 K420 -S438 -0.0495767476874596 N417 -G428 -0.0496508742478341 G423 -Y429 -0.0498517648757089 Q426 -A432 -0.0500288395611308 D424 -I433 -0.0512369113867419 F425 -N435 -0.0522751402375836 I422 -W440 -0.0526307366411016 N445 -A450 -0.0527398334801585 D424 -Y429 -0.0562121417904191 D436 -P449 -0.0575884396149388 N417 -D424 -0.0575932840300513 W440 -S446 -0.0576721821082085 P430 -R441 -0.0579675800506898 F443 -P449 -0.0582629783285089 D436 -Q444 -0.0584164201102945 V415 -F425 -0.0612109972999688 G428 -D434 -0.0615611531036664 N417 -A432 -0.0633979700963534 I427 -Y437 -0.0636711809909479 I427 -D434 -0.0674312260473566 F443 -A451 -0.0676256558780201 R441 -S446 -0.0684934486965654 D424 -S438 -0.0704014107135077 F425 -W440 -0.0736214992860065 K420 -N435 -0.0738636309028151 I439 -A450 -0.0749416163792205 D424 -I439 -0.075587982336228 V415 -P430 -0.0761866220156232 G423 -R441 -0.0765695165702671 I422 -D436 -0.0795076512072712 V415 -I422 -0.0841540644734273 Y429 -D436 -0.0844535671375013 F443 -L453 -0.0845612094124597 D436 -A450 -0.0849194362455771 D436 -W448 -0.0872850157558918 S438 -A450 -0.0886448979445049 F425 -A442 -0.0895908068045861 D416 -Q426 -0.0902944194484134 D416 -I433 -0.094422617638535 K414 -N435 -0.0949060182192458 D434 -R441 -0.0949529450594411 F425 -V431 -0.0973569499256572 G428 -I433 -0.0979959856933097 D416 -F425 -0.0987943145249361 P430 -W440 -0.100950518232516 Y437 -A450 -0.100966186882087 Y429 -A442 -0.101181690713261 V418 -N435 -0.102447162129002 R441 -P449 -0.102476680456844 P430 -Y437 -0.102640730160213 K414 -I422 -0.103730010522133 A432 -I439 -0.104353839215555 N435 -R441 -0.106150571660648 Q426 -W440 -0.106797877073547 A442 -Y447 -0.108300174339196 D436 -A451 -0.108989104729425 V418 -G428 -0.111770237988098 R419 -P430 -0.113902334024329 V415 -I433 -0.115944439741211 P430 -I439 -0.117649976742645 I433 -W440 -0.119837882435442 G423 -F443 -0.126542851567784 Q426 -S438 -0.129467012367648 F443 -D455 -0.135767031319868 K414 -Q426 -0.137541799196114 Y429 -K457 -0.143750340145223 Y452 -G458 -0.145049210732069 F425 -P430 -0.146370323351061 N417 -F425 -0.146394882781415 I439 -Y452 -0.148231287992334 S438 -Q444 -0.148630753580495 P430 -S438 -0.149169665948596 K414 -A421 -0.14933905669388 K420 -G428 -0.153852256352971 D436 -A442 -0.153968143953657 S438 -Y452 -0.15411949343068 V418 -G423 -0.154798571149467 D424 -A432 -0.156042098086137 N435 -Q444 -0.156364691642608 Y429 -D434 -0.159957276632392 Q444 -A450 -0.160810642048729 A442 -L453 -0.163249283544149 A421 -Q426 -0.163767991616925 A421 -D434 -0.164053317474329 W440 -A450 -0.165295256854295 R441 -W448 -0.16537983376959 Q426 -Y437 -0.165897633819637 D424 -D436 -0.167354022965568 N445 -L453 -0.172751256370402 Y437 -F443 -0.173472981570385 D416 -D424 -0.178553444433785 D424 -D434 -0.179455870709706 V418 -D424 -0.184695373107982 F425 -Y437 -0.18582605253586 F443 -Y452 -0.188329303406875 D436 -R441 -0.198266065462237 V418 -F425 -0.202463808231061 F425 -R441 -0.203390292679153 F425 -D436 -0.208072213460338 N445 -A451 -0.210861334923549 I422 -S438 -0.217073433465162 K414 -P430 -0.21886090195373 R419 -D424 -0.221473005837139 G428 -N435 -0.222138903144244 I422 -I433 -0.226620400825259 F425 -I439 -0.228528077504125 W440 -W448 -0.2287047025333 I433 -I439 -0.236267163760711 I422 -I427 -0.239380118744383 G423 -I439 -0.240019985329741 V415 -K420 -0.244973700731225 K414 -A432 -0.24561407410121 V415 -D424 -0.253830374347049 I439 -I454 -0.253944457408301 L453 -G458 -0.262116131166348 W440 -N445 -0.281035346440663 G423 -W440 -0.287971323392792 D436 -Y447 -0.291952097493097 Q426 -V431 -0.304649210155572 Y437 -N445 -0.325464298120277 G423 -Y437 -0.365130030105806 R419 -I427 -0.393647742257074 P430 -D436 -0.399656819803193 Y437 -Q444 -0.439566402919756 N445 -Y452 -0.480443623475898