[Mon Aug 29 17:44:09 2016] >Input file: TMD5S283M1G.pdb >TM segments: 436-452_ 515-572 MAIDEN score = 96.2000 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 ----------- ---------------- C444 -L527 10 Y440 -N523 10 T443 -V520 10 Y440 -A524 10 L441 -N523 10 R442 -A524 10 R442 -N523 10 L527 -S557 5.06975175232344 C444 -V520 3.11769378489436 V447 -I528 2.18139639463187 I526 -T556 2.11043113134125 I528 -I558 1.97325782405389 L441 -P525 1.92582741594631 P525 -K555 1.46306350657829 D530 -I560 1.32210062373799 L529 -I560 1.24926515913588 L527 -I558 1.24850974407569 I526 -K555 1.20882557918207 I528 -I559 1.20694293937263 E531 -I559 1.17579628356543 L529 -I559 1.14486581581298 L441 -K522 1.14200538416153 R442 -V520 1.12995645268743 L441 -A524 1.11824027899021 F445 -I526 1.0379136433945 Y440 -F445 1.03688168019055 V447 -D530 0.994443349823543 R438 -P525 0.957277154277261 L529 -I558 0.950912446875684 V448 -L529 0.890564405153786 L527 -K555 0.861460700537727 I526 -Y553 0.834876045060494 R442 -I526 0.816141546721164 V448 -I528 0.788143751925969 F445 -L527 0.781782744595171 I548 -S557 0.749243374300957 V447 -L527 0.744373601978561 T443 -I526 0.738696889836332 R438 -A524 0.696563696813604 L441 -Y553 0.690511160654042 L527 -Y553 0.689914289829211 C444 -I528 0.651351681269503 A542 -N569 0.640762751295187 T443 -I548 0.627096357130278 V447 -L529 0.605187872280066 C444 -I526 0.602675009046123 C444 -L521 0.57808417416245 N439 -F445 0.566934392556347 F445 -P525 0.557767573083265 I544 -N569 0.520969595387306 R442 -A519 0.516951776680111 T533 -T540 0.516638435122886 I526 -G554 0.510139050808181 V447 -A519 0.494716950799301 N439 -I526 0.489971337348208 L529 -S557 0.48570249878428 T443 -L527 0.480099172624517 G446 -K522 0.479971038296726 R442 -I548 0.477937688262889 D437 -F445 0.464859384799412 V448 -I516 0.450161041299685 V448 -E531 0.440611987337334 R442 -L551 0.438861858155981 T443 -L551 0.427091712326718 V448 -S515 0.413681440870574 Q450 -D530 0.407544780561039 T443 -E546 0.406281800934424 F445 -K522 0.396835965829247 I526 -I558 0.386689558237754 K555 -C570 0.379735330820354 T443 -T552 0.378753192147034 C444 -P525 0.375524958479215 T443 -I516 0.358862093402523 T443 -T556 0.358327756578195 E531 -C570 0.357435788514548 G446 -Y553 0.354418921766191 I548 -Y553 0.352366937106355 P449 -L529 0.347937270853494 P449 -N535 0.34680488224698 V448 -L527 0.344604008903729 Y440 -I526 0.343360169023489 C444 -A519 0.342532247261765 C444 -E531 0.339921317871037 F445 -I528 0.335460318112917 P525 -Y553 0.33360171025973 G446 -I526 0.330898694889578 L441 -V520 0.322570561120226 I567 -N572 0.312482166044601 T540 -T566 0.311695024499161 R438 -F445 0.311076233166438 E451 -A532 0.309185471883207 I526 -C570 0.306927547917838 T443 -S557 0.304492328230402 Q450 -L529 0.303896851701609 V520 -L527 0.301604025543441 T443 -L521 0.296760166043885 C444 -G554 0.296082211150916 G446 -S515 0.294873538796452 A561 -T566 0.292427170437084 R442 -L527 0.291191123388674 C444 -T552 0.290766158867963 I559 -N569 0.28493702874821 N439 -G554 0.283229310298687 N523 -K555 0.276173746061983 V448 -A519 0.276052684368333 N535 -R563 0.273787666339436 I544 -N549 0.268485487101771 C444 -E546 0.268462124681335 E531 -T540 0.261077494090564 E531 -R563 0.257655675272721 F445 -N523 0.257301800281848 G446 -I528 0.255068184997649 A519 -A532 0.254966775947652 I548 -T556 0.25423940391322 Q450 -T540 0.247164026438763 G446 -A517 0.246828379369619 Q450 -R563 0.244502136586818 H562 -S568 0.244298431818852 Y440 -A519 0.23917101121951 R438 -K555 0.23873570945966 C444 -P449 0.238562047102095 P449 -T533 0.238374055491781 I559 -C570 0.238031603776379 F445 -G554 0.235949664597257 A561 -S568 0.233241828121143 V448 -I526 0.232077658251653 V448 -I544 0.229449163263328 H562 -C570 0.22609902472774 D530 -H562 0.224863812721873 A519 -L527 0.215990917065545 S557 -S565 0.214633146226133 A532 -S557 0.213748783840795 S557 -N569 0.213244044103758 Q450 -T533 0.209662748908543 K543 -S565 0.206222666735209 G452 -N535 0.204050653129935 G446 -A519 0.202016608590315 D437 -V447 0.20197117119084 T540 -I559 0.201185346685962 N439 -L521 0.20107101312842 S557 -S568 0.20104941546834 R442 -N549 0.199422462937506 N439 -Y553 0.198460959149399 N523 -T556 0.198311152133414 K543 -D571 0.194310782155603 D437 -K522 0.192748413317354 C444 -A524 0.191968480603769 L564 -N569 0.191683492318857 R518 -A524 0.188949160490508 I548 -G554 0.187450429435887 K543 -N550 0.18663100479752 G452 -E531 0.185356894326259 K543 -I548 0.179512495259311 R563 -D571 0.178813492640821 G446 -V520 0.178560842864828 V448 -S534 0.178417026068618 D437 -R442 0.177739784204977 T552 -C570 0.175510436229645 A519 -T556 0.174479920910465 T443 -K522 0.172557650968841 Y440 -S557 0.169080144677073 Y440 -V447 0.16847443315253 A519 -S557 0.167636629259651 T552 -D571 0.164666483725529 D530 -T566 0.162555250397508 T533 -N569 0.162244759917519 A519 -G554 0.161636831452177 C444 -S557 0.161359417227962 L441 -N550 0.160641275120883 N549 -D571 0.160243162925235 V520 -L551 0.158130599582359 A532 -D537 0.156848069620526 T443 -P525 0.156751840623543 L529 -T556 0.154330103190723 E451 -T540 0.15295305974119 G446 -L527 0.149487657052812 V447 -I526 0.148789081480635 R442 -V447 0.147738227234446 V448 -I559 0.147286722141583 E541 -I560 0.147057607223021 R442 -K555 0.146125067030458 P525 -T552 0.146063767315173 Q450 -A519 0.145890784438472 T443 -T540 0.145711977322365 S515 -V520 0.145273947908523 I538 -E546 0.144711067076637 C444 -I544 0.144440441202727 N523 -N550 0.144327469720023 N550 -N569 0.143931155152083 I559 -T566 0.139780908463217 Q450 -N535 0.139590761717828 F445 -A524 0.139588873569198 A532 -Q545 0.138738199769026 N549 -N572 0.138608003590007 T443 -A517 0.136278036427594 L521 -I528 0.136035035808702 S515 -K543 0.134898477238691 S534 -A539 0.134409998689883 I516 -Y553 0.134265506517222 A532 -K543 0.134256948453944 S515 -T540 0.134195804239686 S515 -T533 0.132993387036613 R438 -V447 0.132799955210542 F445 -A519 0.132745282094731 L529 -Y553 0.132596790275695 A539 -S565 0.131329431737024 A532 -N569 0.131048112714727 D437 -A524 0.131006150741323 S515 -E541 0.130809770829247 E541 -N550 0.130774738906388 L529 -S565 0.127334852733832 A542 -S568 0.126873450459108 I538 -C570 0.126627081459674 E451 -T533 0.126448760430462 I516 -I528 0.126292233284494 S565 -D571 0.125775281161294 K543 -L551 0.125499719100917 D437 -G446 0.124755795625407 S534 -S568 0.12464742717115 K555 -D571 0.124555530865373 N439 -A519 0.124131745018788 A517 -T540 0.123671877578255 I516 -E531 0.123613324070373 T540 -N549 0.123056523826799 I538 -K543 0.122832700444676 G452 -I516 0.121740691383472 I528 -T533 0.121106694278143 Q450 -H562 0.121044640932753 L527 -I559 0.120052138705617 I516 -A542 0.119644665587775 I528 -Q545 0.119573987663026 A517 -A532 0.118074382346543 T443 -S515 0.118014797110404 A519 -A547 0.116861010495592 R438 -I526 0.116425620788368 P449 -R518 0.116252189356383 Q450 -S565 0.116071735817162 A517 -S557 0.115176821147625 V448 -A524 0.114905354408206 L441 -G446 0.113272459838862 N439 -N523 0.113137259129598 N535 -A561 0.113084691057057 P449 -A561 0.112906115569548 L521 -L551 0.112899645344493 S534 -T566 0.11249063273464 L529 -A542 0.112097070753629 Q545 -N550 0.111785494977205 V448 -A532 0.110977703717433 S515 -L529 0.110717972226165 S557 -N572 0.110360224267261 K543 -T552 0.110210196531765 V447 -G452 0.109837673241915 A542 -S557 0.109268715135049 A517 -A524 0.109118103918947 A561 -N572 0.1079213582107 R442 -R518 0.107778018193976 I516 -I559 0.107439694581254 S557 -T566 0.107145248948963 T533 -Q545 0.106563446603842 A532 -R563 0.10650023417192 Q450 -A532 0.10624754679916 D537 -R563 0.10562111056269 S515 -A539 0.105162579354275 L529 -S534 0.104219446868094 E451 -D537 0.104043218178808 S534 -A542 0.103396575025929 G446 -A532 0.103058763597924 T533 -A542 0.101832441616194 S565 -N572 0.101641994471782 I536 -K543 0.101468218461817 G452 -T533 0.101138450348639 S515 -E531 0.100573857568793 T552 -N569 0.10048223201404 E541 -R563 0.100341891599389 T443 -P449 0.100226117191166 I559 -S568 0.0993109699053338 T533 -E546 0.0990246919387432 E541 -S557 0.0989761846432113 N550 -T556 0.0984918462180522 L551 -I558 0.0976065392501546 Q545 -L564 0.0973260344680138 A542 -N550 0.0972930500859417 E451 -E541 0.0972524335103998 P449 -L527 0.0961743495343969 D437 -K555 0.0955088809165987 N550 -S557 0.0953761314165078 S515 -S534 0.0950305361660133 T443 -K543 0.0945846131521688 T533 -K543 0.0941201342983939 I544 -L564 0.0938017842234385 L521 -A547 0.0936171649678694 G446 -T556 0.0933296277133007 I516 -I544 0.0932581801835015 A519 -I528 0.0931947925964041 F445 -A532 0.09314654224942 I536 -S565 0.0926842447773222 V520 -S557 0.0923470042929022 L564 -N572 0.0923279148910292 V520 -I544 0.0913740821728233 T533 -H562 0.0896944590285025 C444 -I559 0.0887408514539622 R518 -A547 0.0885013147947564 R438 -G554 0.0883591215416502 A539 -N569 0.0881054473223664 A517 -N550 0.0878751618414109 I544 -S565 0.0877387988373499 V447 -I560 0.0876957252410993 S515 -K522 0.0866495041848254 S515 -A547 0.0861015995627805 L441 -R518 0.0860430166617697 D437 -P525 0.0859830889236793 V520 -K555 0.0859260095765948 A561 -C570 0.0850855123692766 E546 -S568 0.0848623326686879 I548 -I560 0.0842597078913996 E531 -I544 0.0840440276119558 C444 -D530 0.083284715740795 G446 -K555 0.0827910540422234 D530 -S565 0.0827295307376352 E531 -I538 0.0827086769965799 N535 -S565 0.0821086299152509 A547 -G554 0.0811227799132048 G446 -I558 0.0804336656631852 A539 -S568 0.080069268090476 L521 -L527 0.0786041423519306 R518 -L529 0.0776599727788749 I544 -T566 0.0772901100882546 I526 -I560 0.0771621684830004 G446 -D530 0.0767758884513428 A547 -T556 0.0759553510027731 I548 -D571 0.0759502905040741 K522 -L551 0.0758036698732241 F445 -L551 0.0755200963696123 V520 -I559 0.0753378988429247 I516 -A524 0.0749509775356216 I436 -I526 0.0748184927208229 V520 -T556 0.0745339470900943 Y440 -T552 0.0738706967709151 R442 -Q545 0.0734708579626062 N523 -I528 0.0731581022419228 T533 -R563 0.0725627344185531 P449 -V520 0.0725576887808366 G446 -G554 0.0724507557498462 Q450 -R518 0.0718958360691142 E531 -S568 0.0718500142453289 L527 -G554 0.0711385138766847 S534 -R563 0.0708787466758734 K522 -Y553 0.0706728586948078 S534 -E541 0.070520752245339 T552 -I558 0.070309252768463 N535 -L564 0.0702060594457308 V520 -N549 0.0701531413117121 I536 -A561 0.0698712068590996 A539 -A547 0.0698219447734223 A542 -C570 0.0695386687694541 F445 -K555 0.0688453459107015 I544 -I567 0.0687474679346636 Y553 -N572 0.0687417873602272 V520 -Q545 0.0674772358778286 R438 -T443 0.0669497362280081 A517 -I526 0.0667607929347085 N523 -G554 0.0664943319819882 Y440 -Y553 0.0662896658976209 L529 -A547 0.0660334337885086 L441 -I528 0.0649682656856145 R442 -V448 0.0648107657474186 I558 -S565 0.0641854804788736 P525 -I548 0.0636438794209879 I536 -H562 0.0632481844960274 G554 -N572 0.0628952047863761 L521 -I548 0.0628286271350214 E541 -A561 0.0619971580847851 C444 -L529 0.0615261156821223 I559 -D571 0.0614910113018596 E546 -Y553 0.0613956208133177 T533 -E541 0.0611921972772071 I544 -I560 0.0606362140368697 I528 -L551 0.0602497680368774 A532 -A542 0.0594127453560311 A542 -L564 0.0592454536155129 R438 -T556 0.0591888256270459 Y553 -I559 0.0584148351426403 T443 -A519 0.0583079518133756 P449 -E531 0.0582962827855906 N523 -I548 0.0576057495211715 A519 -P525 0.0573947755691577 L441 -K555 0.0565351948522235 E531 -I560 0.0562907305918534 E546 -D571 0.0558551011565407 E546 -S565 0.0553579254533023 A532 -A539 0.0552358622355971 T533 -S568 0.0551565313784517 I528 -I560 0.0551321858317522 I548 -I559 0.0546378984077336 S515 -I528 0.0541978894694251 L529 -I536 0.0541426441196702 I560 -N572 0.0539938620555971 L527 -T552 0.053789510039369 N549 -N569 0.0537009954739934 N549 -S557 0.053675568235489 T540 -S568 0.0532159215861387 N550 -D571 0.0530964042160171 K522 -T556 0.0530609333895691 S515 -D530 0.0528449268485217 I548 -T566 0.0528227611599207 A519 -I544 0.0528031657876706 D537 -N569 0.0526945093773517 I516 -T556 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