[Wed Aug 24 17:44:59 2016] >Input file: TM3BEHCGD.pdb >TM segments: A6-22_A33-50_A70-86_A90-103_A123-143_A180-201_C452-468_C479-497_C515-532_C536-550_C569-590_C626-647_B226-242_B253-271_B290-306_B310-323_B343-364_B400-421_D678-693_D706-723_D741-758_D762-776_D795-815_D852-873 MAIDEN score = -152.1370 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- F83A-W91A 1.12313525614475 I291B-L320B 1.11047670276338 A684D-K773D 1.06986939962589 A232B-K321B 1.06345543837192 F303B-W311B 1.04734947957572 A12A-K101A 1.025282116861 A458C-K547C 1.01164202974124 I71A-L100A 0.948704783497325 F529C-W537C 0.935018831574937 F755D-W763D 0.915790980582518 L267B-D292B 0.894218950394103 F869D-W646C 0.893973523360613 A753D-D758D 0.887146076257867 W489C-V522C 0.887068364620685 L47A-D72A 0.886446069970051 W43A-A75A 0.880826671941538 W263B-V296B 0.862094031562093 L493C-D518C 0.855705932730732 Y718D-V748D 0.838778034997349 L871D-W646C 0.830981771233657 I517C-L546C 0.830844451912688 Y492C-V522C 0.827839438469602 A302B-D310B 0.824319811074808 L462C-W544C 0.823999560959608 W420B-I640C 0.820157201337524 I743D-L772D 0.810388130378946 L16A-W98A 0.80484493331549 Y46A-V76A 0.802710585624023 L457C-I488C 0.800063116974385 Y266B-V296B 0.799729015048444 W489C-A521C 0.795179801998893 W715D-A747D 0.794674658940866 W715D-V748D 0.787229296464375 L231B-I262B 0.785845907385371 L123A-W200A 0.783367590503934 A747D-W770D 0.776930731517446 W420B-F643C 0.762055758715735 I414B-W200A 0.761925053775096 I866D-W646C 0.756536139331776 W872D-I194A 0.754726102706906 F417B-W200A 0.74923573944785 W263B-A295B 0.74613214443154 W872D-F197A 0.742846053159045 A82A-D90A 0.7362622665026 I743D-K773D 0.735241413757741 I71A-K101A 0.735172131432132 L746D-V769D 0.734114107452775 V465C-L539C 0.72448644670025 A754D-D762D 0.723648519522394 A527C-D532C 0.708348571226399 L688D-W770D 0.702070969021163 Q721D-D744D 0.692338045428579 A295B-W318B 0.685776476103994 A75A-W98A 0.68488300701863 A81A-D86A 0.683105051218792 Q49A-D72A 0.679439513018165 A521C-W544C 0.676979546260957 W43A-V76A 0.675511062169298 A82A-Y94A 0.657577565122345 Q269B-D292B 0.646928227803539 A302B-W311B 0.643472341251384 L16A-A96A 0.638357445637877 L419B-W200A 0.633534296761763 I517C-W544C 0.632256243845056 V579C-A584C 0.627754895624757 A302B-Y314B 0.627036471856533 L688D-A768D 0.626511077402441 L683D-I714D 0.626316794863451 F869D-G198A 0.62529055006079 A528C-Y540C 0.624083580989554 L236B-A316B 0.623441261144714 G418B-F197A 0.619790879727469 G870D-F643C 0.619528907265872 W420B-G641C 0.615312127526617 F417B-G644C 0.612414152835904 A421B-L645C 0.604127771641656 A754D-Y766D 0.602843597505442 P460C-L484C 0.601264738549733 V353B-A358B 0.597498278068395 L11A-I42A 0.597205419881092 W872D-L199A 0.595286797110804 L462C-A542C 0.593214840342835 L236B-W318B 0.581716285703216 L569C-W646C 0.580107022380094 A458C-L545C 0.579945084506903 W420B-A201A 0.575014775647381 L419B-A201A 0.569178781119476 A873D-L199A 0.564906881473219 L258B-W263B 0.563511562953348 F135A-A140A 0.560176356796193 L719D-D744D 0.551956397950891 W872D-A647C 0.550050295201034 I741D-R776D 0.549164580849634 V805D-A810D 0.54782924521571 V133A-A138A 0.546191851601483 A421B-F643C 0.533204637182959 V19A-L93A 0.532594469918992 L871D-A647C 0.531941081996173 L746D-P751D 0.52596732740576 A421B-W646C 0.5247992941393 F529C-D536C 0.521242138970911 F417B-A201A 0.520429702292383 P14A-L38A 0.519546666210992 F755D-D762D 0.518265788256145 F869D-A647C 0.516383662015244 A873D-F197A 0.515474258040268 Q495C-D518C 0.513806330277916 L710D-W715D 0.512326878601939 P686D-L710D 0.510270054793451 L520C-V543C 0.509265048532703 P234B-L258B 0.507806193989384 A528C-D536C 0.507380733289144 A684D-L771D 0.504630542215135 L74A-V97A 0.50097303078844 F417B-F643C 0.500707915244735 A873D-W200A 0.485101640948553 V352B-L99A 0.484744419816134 V239B-L313B 0.483129726862652 F869D-F643C 0.482509059976821 I364B-A401B 0.48229839409661 F417B-F197A 0.481539051552356 G867D-W646C 0.478331599470022 A12A-L99A 0.477326991470211 A464C-L484C 0.47368567934407 V691D-L765D 0.473110392123066 L294B-V317B 0.46333243286553 L771D-V132A 0.461553276214988 V804D-L545C 0.458941263924329 L319B-V578C 0.458146969492185 Q495C-K547C 0.454134188481006 G461C-I488C 0.452387969340236 A238B-L258B 0.451759463583795 I517C-K547C 0.449474148458186 A464C-L485C 0.44893772702948 Q49A-K101A 0.446424823860747 Q269B-K321B 0.446222668738985 G870D-W646C 0.440464814771994 L38A-W43A 0.436144339744537 I291B-K321B 0.43592436943013 P452C-K547C 0.434728084722365 Q721D-K773D 0.430475324806729 A302B-S312B 0.429076923028565 F303B-D310B 0.419439451580517 D744D-L749D 0.416475707939593 G15A-C95A 0.414633517848777 P299B-C315B 0.414378159953993 I590C-G628C 0.412585566308719 I590C-A627C 0.408756915635132 P751D-C767D 0.406948518880637 V346B-L419B 0.405737909532275 D518C-L523C 0.405519363673687 G235B-I262B 0.401085778864138 P525C-C541C 0.395877781062558 Y718D-A723D 0.393904243923593 L74A-P79A 0.391253486458522 V465C-W537C 0.389585155855356 L722D-V745D 0.389345945560294 V798D-L871D 0.388630002947425 L520C-P525C 0.388184752307032 W770D-V132A 0.386298325708118 V19A-W91A 0.386265194889053 W318B-V578C 0.385960688564276 V126A-L199A 0.385791542122429 V804D-W544C 0.385016529149411 N8A-W98A 0.382820265892873 D72A-L77A 0.382387134237613 A238B-L259B 0.381182119350183 A681D-A717D 0.378322127605839 V572C-L645C 0.377530087397967 V465C-C541C 0.37742385756547 A812D-A860D 0.377397671016494 V239B-W311B 0.377226714808875 P79A-C95A 0.376224811243242 A316B-A586C 0.375787291341271 L545C-R550C 0.375256771020211 V239B-L255B 0.372746503553796 A808D-A860D 0.37260567497849 F869D-F197A 0.371985304644803 L484C-W489C 0.369540678203769 A232B-L319B 0.369205719975402 A232B-W318B 0.36916328339955 W420B-M636C 0.368934837539029 L300B-D306B 0.366527618178807 P686D-W715D 0.364431232838764 P460C-W489C 0.364395462573045 V691D-W763D 0.364308973098645 P234B-W263B 0.363513735216096 V809D-Y814D 0.361318968759905 Y266B-A271B 0.360542936878765 F807D-A812D 0.360467355291734 A360B-A408B 0.35994902224428 A521C-C541C 0.359874758362323 M410B-W200A 0.359459828759121 P6A-P14A 0.358074799020619 Y766D-V143A 0.356833763882069 A75A-C95A 0.356626795466134 L294B-P299B 0.356280734494694 Y142A-V184A 0.356058662373213 A241B-L255B 0.35519966761378 A295B-C315B 0.354207066515981 P14A-S92A 0.353072566772666 L496C-I515C 0.352532639648233 L11A-K101A 0.352328307328582 G687D-I714D 0.350593867818487 A40A-A75A 0.350456231553701 A141A-G182A 0.349974071488259 G415B-W200A 0.349733201566527 A812D-A542C 0.349316978094614 V804D-V809D 0.349305168618426 L50A-V73A 0.349013203849923 A240B-A256B 0.348708822153658 A18A-L38A 0.348520658676299 P226B-K321B 0.347943531301686 L242B-S312B 0.34637293491621 I364B-G402B 0.345914014030382 A712D-A747D 0.345155701434342 A467C-L481C 0.344877451518572 Y362B-V404B 0.344632004812516 I291B-W318B 0.344362444999629 G235B-L258B 0.340144151760667 P460C-S538C 0.339838679620385 A690D-L710D 0.339590347133182 F417B-I640C 0.339439243922202 L47A-V76A 0.338250761188314 V487C-Y492C 0.337980974755506 P686D-S764D 0.337654312738153 P79A-W98A 0.336785204184212 L270B-V293B 0.336673803597662 A18A-L39A 0.336595077767875 A356B-A408B 0.334671801290161 A813D-G854D 0.334534686836935 I414B-F197A 0.333971647367862 F869D-I194A 0.332328218891609 I866D-F643C 0.331965934486424 V78A-W91A 0.331883151492481 I866D-I642C 0.331472747709206 G235B-A265B 0.330457196596415 V352B-W98A 0.330435283394495 A82A-S92A 0.329251170752183 G351B-A96A 0.328759834218462 G15A-A34A 0.328155038884729 G461C-A491C 0.327992226734444 A421B-G639C 0.326575459316651 G235B-A254B 0.326343304483889 G15A-A75A 0.325273019749976 Y814D-V856D 0.325161996035644 G865D-A647C 0.324400293705563 V132A-V137A 0.324203713733693 V363B-Y94A 0.323437797688919 G687D-A747D 0.322604774763099 L236B-C315B 0.322486320023951 G461C-C541C 0.322070827046122 A486C-A521C 0.321707154340563 Y314B-V589C 0.321205705678605 V137A-Y142A 0.321160127587891 A260B-A295B 0.321099491151827 A853D-A860D 0.31994790544319 N228B-W318B 0.319714056301399 A754D-S764D 0.319687471180045 W420B-L645C 0.319132067352356 V578C-M637C 0.318886901082072 A360B-A96A 0.318426766335291 V815D-Y540C 0.31807007105412 M862D-W646C 0.317513434666229 A528C-S538C 0.31696181542076 G413B-A201A 0.316933920034744 V465C-L481C 0.314847292401665 G803D-A542C 0.314758583051843 G415B-G641C 0.314702753849826 A690D-L711D 0.314404491272083 G633C-G641C 0.314157973833718 A693D-L707D 0.313912609782939 G15A-G44A 0.313665263116437 G867D-G641C 0.312658884379514 G577C-G639C 0.312034869155368 L468C-S538C 0.311354781714055 M863D-V635C 0.310469821328914 A768D-A140A 0.310337840355777 L526C-D532C 0.309804157913909 A768D-G131A 0.309206378653076 Y718D-D744D 0.30638128682242 L719D-V748D 0.305919854383718 A301B-D306B 0.305055914573037 I416B-A421B 0.30129592656573 A582C-A634C 0.300944188594183 A21A-L35A 0.300657118742284 V78A-C95A 0.300334546289152 G867D-G639C 0.299996945962627 V409B-M637C 0.299967405751257 V522C-A527C 0.298986918472771 A873D-G193A 0.298211013722301 L297B-A302B 0.298042403781299 L523C-A528C 0.297974498287745 A455C-L549C 0.296974661503773 V465C-S538C 0.296577466590658 Y362B-R403B 0.29521154239399 W872D-G195A 0.294982621635331 P14A-Y94A 0.294701562721918 V298B-C315B 0.294354893109126 P460C-Y540C 0.294312037632953 L16A-A21A 0.294179515035928 V352B-V357B 0.293740574400285 P460C-Y492C 0.293404136268241 G415B-G193A 0.293278026687154 G461C-A480C 0.292343493356813 V750D-W763D 0.292074443742816 L267B-V296B 0.29177479713097 I743D-V769D 0.291259229144731 V750D-C767D 0.290983739940779 L77A-A82A 0.290787942954499 P14A-W43A 0.290758273460193 G867D-G195A 0.290502315761906 P678D-T128A 0.289908293508477 A684D-G131A 0.289769791089902 L462C-C541C 0.288981499132619 L7A-A12A 0.288216096343853 P686D-Y766D 0.287316718888216 L323B-G577C 0.286622801682314 V352B-M411B 0.285980525121701 G687D-A717D 0.285916780214637 A455C-A491C 0.285014442968169 Y588C-V630C 0.284661975296707 V579C-V635C 0.284479991500759 L255B-A260B 0.283542286180311 G859D-G867D 0.283495973468316 A9A-L103A 0.283204059020053 I868D-A873D 0.283049378881878 F581C-A586C 0.281192498180671 V353B-V409B 0.280899771208242 V522C-V543C 0.280498681049655 P234B-S312B 0.279912637973602 V519C-V524C 0.279895487291361 G131A-G193A 0.279292241995139 G865D-G195A 0.279157084967731 A587C-G628C 0.278835769922883 G803D-G865D 0.278755533229834 G407B-L134A 0.278081333944698 W872D-M190A 0.277992594781928 N8A-G44A 0.277938129303006 N454C-G461C 0.27714059742853 A136A-A188A 0.27693849450139 G687D-L710D 0.276430711036938 G351B-L103A 0.275854208585712 G461C-L484C 0.275698666498714 I414B-I196A 0.274713353715234 P525C-W544C 0.274367589612725 L468C-D536C 0.272634749681474 I291B-V317B 0.271720275067455 G490C-L523C 0.270902678593586 L134A-G193A 0.270475277106796 L683D-K773D 0.270049937260748 P6A-Q49A 0.269693924057395 V133A-V189A 0.269662345782327 D762D-Y142A 0.269259008865528 G716D-L752D 0.269166689079939 L343B-W420B 0.269010807879368 L580C-G639C 0.268790124597908 A627C-A634C 0.268475467683545 G716D-L749D 0.268240348208021 G413B-G641C 0.268087600029666 A12A-P102A 0.267934235037275 Y362B-D90A 0.267066996464294 V10A-C95A 0.267046731334415 N680D-G687D 0.266637599203236 G15A-L38A 0.266121905439284 L7A-K101A 0.265739636142883 A233B-A316B 0.265022667174875 P234B-Y314B 0.264304164683865 L493C-V522C 0.264120038794223 A464C-A482C 0.264108283116149 A238B-A256B 0.262361322907882 I515C-R550C 0.262150388673133 V524C-Y540C 0.262107558503162 L16A-C95A 0.262089434387597 A486C-S538C 0.25993715094538 I642C-A647C 0.259342356997236 D310B-Y588C 0.258825813742755 V691D-C767D 0.258760317162699 P6A-K101A 0.258641097927265 P525C-S538C 0.258469644117607 A140A-A188A 0.257889253103945 G687D-A706D 0.257034814742783 L485C-S538C 0.256785754893404 F400B-L405B 0.256698755485321 V132A-M191A 0.25634574021861 A521C-A528C 0.256237631616168 Y588C-R629C 0.256224673986363 W420B-G198A 0.256189865538717 V19A-L35A 0.255808617643115 G407B-G415B 0.255749225501098 I517C-V543C 0.254842031012965 G418B-W646C 0.254638513436629 W872D-G644C 0.254588624326887 G15A-Y46A 0.254136459041179 L496C-V519C 0.253893993523477 R403B-A408B 0.253886498609439 N454C-G490C 0.253625425814826 A302B-A316B 0.252063852511474 A586C-A634C 0.251098848541272 V583C-L631C 0.25080281475527 A747D-C767D 0.2501281270503 R183A-A188A 0.250054797008428 V19A-C95A 0.249352176028522 V524C-W537C 0.249256135231017 A356B-A20A 0.249071607298674 A20A-A36A 0.248916714924766 P299B-S312B 0.248407908075578 L688D-C767D 0.24812837109209 M411B-V189A 0.247162864479924 G15A-W98A 0.246501668035815 N8A-Q49A 0.246268640283493 A491C-K547C 0.245640124391111 A717D-K773D 0.245591746458163 L462C-S538C 0.24527420780664 V524C-C541C 0.244354217923253 V78A-Y94A 0.243973316370237 G125A-G198A 0.242942093775212 A316B-G577C 0.242839862281346 N228B-L323B 0.242516477327017 L775D-T127A 0.242148996242009 Y814D-A466C 0.241712080969767 A240B-Y588C 0.241640597188003 W872D-G418B 0.241286048034636 G644C-F197A 0.241186502532234 A692D-Y142A 0.239944725372369 V296B-V317B 0.239750242520956 G687D-W770D 0.239426365801784 A12A-Y46A 0.239352714690809 L749D-A754D 0.238631520922101 A232B-L237B 0.238432750055861 V298B-V317B 0.23836049993975 N680D-G716D 0.238167224901566 A18A-A36A 0.238116870744349 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