[Wed Aug 24 19:54:45 2016] >Input file: TM3JBRCGD.pdb >TM segments: A21-38_A57-73_A85-104_A111-127_A140-161_A260-280_A322-339_A361-378_A387-402_A413-427_A436-460_A522-544_A557-583_A597-618_A621-643_A652-667_A673-699_A799-820_A850-867_A882-900_A911-927_A940-956_A962-987_A1066-1084_E1510-1528_E1553-1570_E1580-1597_E1625-1642 MAIDEN score = -188.8877 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 ----------- ---------------- I578A-E602A 1.16232204488469 C389A-E394A 1.15672673273625 I1565E-L1583E 1.15627775082539 C1520E-F1630E 1.0031190092038 F525A-V530A 0.98535382130185 L1564E-L1583E 0.965390792878734 F891A-V920A 0.961986339387858 L1561E-S1587E 0.950125703382612 F153A-Y158A 0.922706441770231 V1523E-F1626E 0.892090115014455 N559A-H615A 0.868937132957402 V93A-R119A 0.866783546924089 I626A-V632A 0.865824726138845 V1591E-F1630E 0.83669572933047 K951A-A956A 0.829500349422814 H337A-L419A 0.821850027589306 F529A-Y534A 0.765242470810573 F613A-V631A 0.760167314884038 I889A-E894A 0.740517635294855 P1585E-L1637E 0.733517999041301 S439A-I543A 0.72883001296695 F613A-V634A 0.708814525461049 T892A-V920A 0.708747306362772 F1592E-F1630E 0.708299769878006 K366A-V398A 0.704792852576804 R122A-V127A 0.702822389141732 E336A-I361A 0.697476427734738 F96A-F115A 0.69716804880285 L370A-E394A 0.693940023201682 M1588E-I1634E 0.688732266459041 I561A-L567A 0.683965419553134 A680A-F819A 0.679604582336632 V117A-L460A 0.679016156085421 M154A-A159A 0.67784927948724 A114A-L460A 0.676958218454016 L562A-L567A 0.672268723819869 F1589E-I1634E 0.66942525535178 V673A-N1078A 0.66852951652241 I1521E-F1630E 0.667697102277641 L1564E-A1586E 0.667227241329678 Y1581E-L1641E 0.664925455645055 L370A-L397A 0.663420829547157 L1564E-D1580E 0.649222879863212 V1523E-A1528E 0.649222473518883 G1524E-V1627E 0.640795978027271 V65A-A70A 0.638265688676587 F1592E-I1634E 0.637926000590818 L1561E-V1591E 0.636197300252652 V539A-A544A 0.634246798659694 T609A-V634A 0.63381803660603 F1592E-L1631E 0.632252075887624 I361A-K366A 0.631180659924379 G1524E-F1630E 0.627524647572021 V117A-I456A 0.62287095913643 N33A-A38A 0.621083160387261 V322A-A327A 0.60609565679526 L27A-R122A 0.605829886513935 R373A-L393A 0.605030774365607 Y623A-D628A 0.60443501182744 E575A-A580A 0.60391849658218 R1584E-L1638E 0.603546062441704 I443A-A542A 0.603480842241731 I578A-V601A 0.595727368822627 I921A-D926A 0.592866512581484 C531A-L536A 0.590304588731019 V1558E-V1591E 0.590273720761293 R579A-V657A 0.590109085556285 P911A-P1642E 0.587521857077361 I68A-K73A 0.586293425075898 L416A-M697A 0.585885265302466 L1561E-A1586E 0.58559149530194 I637A-R659A 0.58236582524091 G922A-R945A 0.582257991187041 P1585E-L1641E 0.578649443033746 S1557E-G1594E 0.578042572635762 I160A-R945A 0.576153730631469 F1068A-A1073A 0.575738715720985 F31A-A36A 0.572573126020304 I160A-V946A 0.571479641535913 S1587E-I1634E 0.57022534580922 V280A-L541A 0.569748977049816 M859A-C864A 0.56826910560032 I925A-R942A 0.568021632372827 T1568E-L1583E 0.563376259676293 V1591E-I1634E 0.559017754549589 K616A-V631A 0.558998670080157 T888A-V920A 0.557601348817102 R1584E-I1634E 0.554833273942796 F453A-A458A 0.554097435745042 I808A-M813A 0.552164136512131 I578A-V598A 0.551339246610461 L1595E-V1627E 0.543436880313585 I1521E-L1629E 0.539341482225961 S923A-R945A 0.539330658911481 C864A-L883A 0.534652080252947 D916A-I921A 0.534218068927464 V1558E-G1594E 0.53387373833562 I1569E-R1584E 0.530956978030039 L918A-F1589E 0.530662029057244 E851A-A856A 0.52922918794777 Y1590E-L1595E 0.529224337362098 E894A-L899A 0.523022970892784 A1528E-F1626E 0.52184734288269 G922A-R942A 0.519526340986812 L641A-L652A 0.518215125705908 A334A-K421A 0.515275618017965 I1565E-S1587E 0.511560151299891 L1561E-M1588E 0.507985970390757 A544A-V817A 0.506504616786291 S923A-F944A 0.505616105840699 L979A-F984A 0.504800620067646 C676A-F819A 0.501967496067516 F100A-L112A 0.496169427098424 I1565E-D1580E 0.494906889373558 V673A-A1082A 0.494638345773028 N884A-I889A 0.494336514340414 I919A-R945A 0.489649379682976 N92A-I97A 0.486382310893054 A612A-V634A 0.483342696501518 R88A-V93A 0.481019651563468 V677A-R682A 0.480773171307789 L63A-I97A 0.479344240401451 I161A-L943A 0.478639577527236 L452A-F457A 0.478419538349545 I919A-F944A 0.477409484546767 I858A-L949A 0.477020272335855 I160A-L865A 0.476838009167389 S582A-V657A 0.475355744352631 T862A-M867A 0.47217112327364 I30A-R122A 0.470147627084218 I333A-L365A 0.469933582888268 L528A-N533A 0.468493320583823 I30A-L123A 0.467790361441389 C1520E-L1629E 0.46764696229302 F891A-D916A 0.467163163016294 M367A-L397A 0.465463768275725 V1558E-S1587E 0.464688530095996 I858A-R948A 0.462907571493011 L149A-M154A 0.460454702192187 S1560E-Y1590E 0.459997839258078 L605A-Y610A 0.459625195968309 S923A-F941A 0.459199005223676 I919A-M947A 0.459025352790879 I30A-P120A 0.458468886749971 I543A-N814A 0.456181346611867 Y1581E-A1586E 0.455699118035184 A1554E-Y1590E 0.454964694038439 K366A-Q374A 0.453627226900668 N622A-V631A 0.45287291767303 L893A-K898A 0.451762344296488 I527A-G532A 0.451520894776428 W912A-F917A 0.451262587594719 H615A-N622A 0.450474535977614 L963A-K968A 0.449389615675675 V1558E-Y1590E 0.447234984448435 L396A-R418A 0.444019827453995 R1584E-L1637E 0.44328559839616 D926A-F940A 0.442340487212433 F891A-I896A 0.442232516697344 E1510E-C1570E 0.43904983993641 P1585E-L1638E 0.437724922898133 L265A-S270A 0.437485797931437 K606A-I637A 0.437010430791395 I266A-F271A 0.435408340183018 G1562E-S1587E 0.43500736154975 M1588E-S1635E 0.431065372580842 I30A-R119A 0.430823563107759 A334A-I422A 0.430549735670144 A140A-V280A 0.429964597277609 I97A-F115A 0.429784095993797 L1527E-F1626E 0.429405440398631 L370A-Y375A 0.429179167096984 I925A-F941A 0.428672168541882 L1595E-F1630E 0.424207223897375 I160A-R942A 0.422889614484514 L1561E-R1584E 0.421660301609906 N33A-R119A 0.421070475775899 I97A-G102A 0.420988086379475 P143A-G279A 0.419974969408213 L1564E-S1587E 0.419466330843432 C389A-R418A 0.419343681627638 E1510E-T1568E 0.419116583493671 I361A-M367A 0.417668275060338 D576A-E581A 0.417057719704994 R948A-L953A 0.416728919373088 I603A-R659A 0.416207130047022 L1561E-F1589E 0.414188255502529 D95A-F100A 0.413563262047206 M854A-I890A 0.41335345993104 L627A-V632A 0.41111975715495 V674A-V679A 0.41008242146078 I526A-C531A 0.408224935612109 L1518E-V1523E 0.407623145215634 V631A-L636A 0.40749875801997 L562A-A612A 0.406069385925772 R116A-L460A 0.405703080475925 L393A-R418A 0.405308372537315 M1070A-I1076A 0.403930838599364 I687A-M812A 0.403577826644655 V263A-L268A 0.402405621400333 L37A-R116A 0.40094878075805 D926A-F944A 0.40067924483894 M1588E-L1637E 0.400587906056017 R621A-V631A 0.399299782744871 L396A-R415A 0.399298046215581 V1591E-L1631E 0.399160620813096 A574A-V601A 0.398195119012164 G90A-R122A 0.398176229873014 D628A-A633A 0.397121696768444 I578A-R656A 0.397011889888254 L694A-A699A 0.39584692749095 D1580E-P1585E 0.394397348152785 L572A-P577A 0.391977484677412 A1554E-V1591E 0.389972796758588 C413A-K421A 0.389923230393428 I626A-V631A 0.389412931660326 C34A-K57A 0.389005510812515 L94A-V99A 0.387405802906932 F66A-L94A 0.384622745214946 M895A-L900A 0.384098874911774 F613A-S635A 0.383844747880445 R942A-C1596E 0.382447033386383 E1510E-P1585E 0.381949853670326 L393A-V398A 0.381849652035659 A1554E-A1593E 0.380599510147466 T888A-S923A 0.379465221071887 R621A-I626A 0.378698475015036 F262A-L267A 0.378402811310874 F1592E-L1597E 0.377266005887993 I26A-F31A 0.374782895062173 T1568E-L1582E 0.373413352002516 V601A-R656A 0.372962721728505 T888A-L893A 0.372501468838752 S1560E-S1587E 0.371186440820011 I980A-F985A 0.368487669193099 E581A-P660A 0.367834858844414 W912A-P1642E 0.363935224228046 K366A-L396A 0.362428828079843 L370A-V398A 0.362291059732255 F850A-F855A 0.361844558685198 K606A-G611A 0.361383897231109 N1078A-V1083A 0.361123385634856 A334A-L419A 0.36003829334016 G1562E-Y1581E 0.359669485784495 C864A-F944A 0.358568376329574 S1560E-I1565E 0.358415409300008 S582A-R656A 0.357570252075805 C531A-F540A 0.357247632492603 Y610A-S635A 0.356678372155372 A1554E-L1595E 0.355934100911505 R373A-S390A 0.35447425416552 L857A-F887A 0.354359780620982 D95A-R116A 0.353805345998965 Y158A-G269A 0.352978429315419 D916A-R945A 0.352798679958121 L397A-R418A 0.352126664325216 A38A-L459A 0.351061679896181 L27A-L123A 0.350980416644306 L1595E-F1626E 0.350696008453257 M363A-G401A 0.350402870420082 F800A-I805A 0.348107483069281 N92A-P120A 0.347166640317041 T558A-L563A 0.346922828705334 Y60A-V93A 0.346806162418478 M1588E-L1638E 0.34669422602507 L918A-S923A 0.34610498536192 N861A-R942A 0.345272207248219 R113A-L460A 0.344482129749286 T1568E-Y1581E 0.344245810530765 M1070A-L1075A 0.344044575989677 M607A-H615A 0.342785683779028 Y60A-V65A 0.341464016588759 I1525E-F1626E 0.341049505297195 L807A-M812A 0.340506580234029 H146A-M154A 0.340398130625521 Y610A-I637A 0.339490487948088 N913A-P1642E 0.339006105067754 E851A-F891A 0.338120314294924 N33A-P120A 0.338095789846034 Y852A-L857A 0.338066720618684 L372A-M377A 0.33803292443585 V820A-V1081A 0.337245161946022 G1524E-L1629E 0.336554791260634 V885A-M895A 0.336433635386711 N622A-L627A 0.336386960203217 S1557E-P1585E 0.336308814097755 V688A-L693A 0.334081057895276 S442A-A542A 0.333146804288921 P911A-D916A 0.332643216845288 S332A-K366A 0.330178058542471 L566A-A571A 0.329648331909485 I147A-F272A 0.329641003488625 P120A-I456A 0.329438436673515 I156A-I161A 0.329345861068031 A85A-G126A 0.329116538565883 M854A-V946A 0.328087457220736 A570A-K606A 0.327433527685142 D576A-V598A 0.327230369720946 I1634E-F1639E 0.326775997069248 Y610A-S638A 0.32664412823525 S569A-A574A 0.326572440409156 C389A-T423A 0.325779983558357 H146A-V151A 0.324733631222074 C676A-R682A 0.324475934134581 R621A-L627A 0.323048160241589 S1557E-A1593E 0.322019795267589 S568A-P660A 0.321555471084763 I687A-F811A 0.321152644509482 Y261A-I266A 0.320088640501801 A612A-S638A 0.320067589395258 I890A-M895A 0.319892707619029 L1595E-L1631E 0.31916135010371 I147A-N275A 0.318362722997051 G922A-F944A 0.317859036335927 K606A-P660A 0.316381546119176 F61A-E69A 0.315346415943713 P143A-N538A 0.315103331009758 T423A-T692A 0.314964837188102 G279A-A544A 0.314172442788588 E23A-L28A 0.314042129945395 G371A-G401A 0.31338237679708 I1565E-R1584E 0.313237989429865 H615A-S635A 0.313016235811862 F1630E-S1635E 0.312145447462862 E642A-L652A 0.311334227341164 Y623A-V634A 0.310813882687535 T888A-I924A 0.310564263595785 M141A-N275A 0.309600330773939 C676A-V1083A 0.308563632157311 I980A-L1075A 0.308142055643522 A327A-K421A 0.307892411014349 K366A-R373A 0.307391045534813 I684A-I815A 0.307161080496382 S390A-L395A 0.306302086334692 V976A-V981A 0.305803888029153 L152A-I157A 0.305565290122008 A1553E-L1597E 0.305187807904768 Y158A-R942A 0.30489410790911 E851A-L857A 0.304760199499706 L883A-T888A 0.304403917183809 V690A-Q695A 0.304321167663052 A1586E-S1635E 0.304069724629918 G922A-F941A 0.303756696694223 F1559E-L1564E 0.302904147147379 A1593E-S1635E 0.302456411859658 F801A-I806A 0.301969428536058 L393A-E399A 0.301918944205451 K366A-G401A 0.301411592840956 K1513E-L1518E 0.300919284481254 Y610A-P660A 0.300726629890717 Y610A-R662A 0.300379233039766 S568A-A663A 0.300327654076547 L1561E-Y1590E 0.300222735938235 E1510E-P1642E 0.300143703883661 E602A-L658A 0.298822333366584 L63A-E69A 0.298489645466992 Y534A-V539A 0.298473438368564 C34A-V124A 0.298436003036256 R415A-K421A 0.298371506124802 A571A-L605A 0.298266364851836 S442A-A544A 0.297649815440399 R373A-L397A 0.297401227337531 E575A-L605A 0.297297463104833 M854A-V885A 0.297198838621686 V151A-I156A 0.297018902045171 K366A-E394A 0.295840132081528 R653A-Y987A 0.295298944275908 D576A-V657A 0.29511695837611 F31A-E59A 0.294840019476233 L27A-A32A 0.294675920034244 V601A-K606A 0.2945126086589 I161A-V946A 0.293932740523381 N559A-F564A 0.293112601506318 R88A-D95A 0.292674658466367 N913A-M947A 0.291263614029248 K73A-S89A 0.291195909139816 C1570E-D1580E 0.291183043044705 H337A-C413A 0.290769107987154 I98A-V103A 0.290056838711474 M867A-R945A 0.288429147311309 C864A-R942A 0.288249245049764 L605A-R656A 0.287967460540285 I815A-C1072A 0.286135574812947 F855A-C864A 0.286027496045346 S569A-P577A 0.285958568298049 P143A-Y534A 0.284679476273041 E362A-R415A 0.284653873765546 A1553E-G1594E 0.283445020611905 S969A-V1083A 0.282549118293836 V673A-V679A 0.282216168098236 M363A-R418A 0.2821119033641 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