[Wed Aug 24 19:53:16 2016] >Input file: TM3JBRATD.pdb >TM segments: A53-70_A86-104_A117-136_A163-179_A196-216_A311-330_A441-458_A474-493_A504-519_A526-542_A559-577_A636-656_A811-830_A840-858_A873-888_A894-909_A928-945_A1043-1061_A1122-1137_A1150-1169_A1182-1198_A1234-1250_A1267-1284_A1359-1379_E8-24_E106-122_E137-153_E188-204 MAIDEN score = -241.7095 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 ----------- ---------------- L115E-S141E 10 T122E-L137E 1.33988069536772 F146E-I197E 1.22213308796133 I449A-L481A 1.20563215482351 L509A-K537A 1.18189478959993 P139E-L201E 1.15378404494225 M142E-I197E 1.1264621560724 L149E-V190E 1.09722702487314 C15E-F193E 1.09615370503272 M142E-L201E 1.04233933245204 F645A-Y650A 1.01773944277421 I822A-V842A 1.00715998719945 C505A-E510A 1.0059706983602 L118E-L137E 1.00361147873683 F857A-V875A 0.999329295957838 P457A-R531A 0.999052907704804 V145E-I197E 0.974051758169173 V145E-F193E 0.963965489373423 I1189A-R1242A 0.961063179168989 F942A-Y1048A 0.916226504814626 I119E-L137E 0.906229459584685 R823A-V901A 0.888746503654131 M142E-L200E 0.888619617247342 I16E-F193E 0.878310462736065 F641A-V646A 0.865087976578224 I61A-L175A 0.858333498490513 F1161A-V1190A 0.851605575283945 I822A-V845A 0.849982013113841 F146E-L194E 0.847288290548822 L22E-F189E 0.846002748331991 F131A-L164A 0.844111709025791 L149E-L194E 0.817841325346561 F152E-V190E 0.817795338735143 I213A-L1237A 0.811460843970899 R823A-P904A 0.811151501307181 E216A-L1237A 0.808878509682936 L94A-I128A 0.806480999443771 I213A-V1240A 0.803413765029287 T935A-F1055A 0.80197368416096 T60A-F93A 0.800623276261341 I1274A-L1371A 0.796308198179347 E452A-I477A 0.795739795236406 H454A-L535A 0.785572412154588 L149E-F193E 0.768605643851816 V112E-V145E 0.750780027218521 V203A-F324A 0.738127685100277 L1277A-C1368A 0.73769137291406 L486A-L513A 0.736792711637904 F146E-F193E 0.726534554168937 V124A-L170A 0.726048179743624 L58A-L175A 0.70904418781603 Q830A-V1283A 0.702880077836899 T1158A-V1190A 0.700480918427318 I1189A-R1239A 0.694648472324261 V169A-L576A 0.689497461970418 F127A-F167A 0.683327937801748 V9E-L200E 0.681672855315867 L885A-L896A 0.681637105938223 K482A-V514A 0.678031310575445 V203A-G321A 0.677680427536296 Y91A-L132A 0.675593001341772 L118E-A140E 0.672998898116509 F143E-I197E 0.672178637512905 L115E-A140E 0.668925336628336 I212A-V1240A 0.652819713010263 G116E-S141E 0.649549248818829 A108E-V145E 0.645387381633998 Y854A-I881A 0.644408705873013 V1270A-A1378A 0.637939023324426 L532A-C944A 0.635660597458094 N1131A-F1157A 0.632860194802818 N64A-R171A 0.629936619416432 P457A-L535A 0.629574310418441 L118E-S141E 0.623539175470013 I931A-F1055A 0.61552103347817 F857A-V878A 0.614041160862743 Q456A-L474A 0.609132043628663 V169A-L575A 0.60631209238632 A23E-F189E 0.605208378953783 A67A-L86A 0.605181597649177 L115E-R138E 0.598883619633642 T853A-V878A 0.598570464487715 S826A-R900A 0.593151765900937 A108E-F152E 0.590975214953952 R138E-L201E 0.588968178199772 L532A-M941A 0.586863034531323 I128A-R168A 0.584002574295627 Y210A-L317A 0.581200995690262 I57A-R174A 0.581027994105323 I1195A-R1236A 0.578216106890081 S516A-R531A 0.574408583120105 R489A-L513A 0.572799127357694 I1128A-L1243A 0.571255798797484 A140E-V1184A 0.566276362671255 A23E-V190E 0.566090812328659 I1128A-K1245A 0.564911048061769 I16E-G196E 0.561824808053993 I61A-R174A 0.558016149812115 L513A-R534A 0.557325528164967 V169A-I572A 0.555365663233291 S98A-L125A 0.554155342120847 I212A-L1135A 0.5497045637455 Y210A-L215A 0.544062443357296 A101A-W122A 0.544042622337568 I1194A-R1239A 0.537324048111507 L115E-V145E 0.536585342854798 I199A-F324A 0.536434704216764 P139E-L200E 0.53574551252566 A818A-L849A 0.535502533518362 L115E-F143E 0.533529680014697 H453A-L535A 0.532491437889543 E819A-L849A 0.53020907330165 D126A-F131A 0.528394768587902 Y1359A-F1364A 0.528030788983775 I199A-N327A 0.527292784511074 I20E-F189E 0.527145034778393 F97A-L125A 0.523921680650049 L486A-V514A 0.523197617783644 R138E-L204E 0.522563549592838 L326A-F1376A 0.522218603301262 F146E-S198E 0.517520785585475 T1158A-I1194A 0.512672141339971 W1182A-K1245A 0.510827693845402 V153E-V190E 0.509212478519242 M1165A-F1187A 0.50816780329427 L58A-R174A 0.508032429478083 L1127A-F1157A 0.507532400365236 C15E-G196E 0.506282921220006 F62A-L175A 0.500772690015205 F1161A-D1186A 0.498078272037127 E825A-P904A 0.494296124172773 R489A-S506A 0.490674602666694 P457A-L532A 0.485011386423485 D1196A-F1238A 0.484922451095305 L1267A-V1379A 0.483454348830441 I1128A-R1242A 0.482765963989201 A450A-L535A 0.481841036473492 M206A-A211A 0.48152063610247 S114E-S141E 0.480380638905856 I1128A-L1246A 0.478801050146165 I209A-L1243A 0.47837284519453 D1196A-F1234A 0.473795935904943 E846A-V901A 0.470339637696126 F843A-R897A 0.467146002199796 I16E-L192E 0.466671902520219 I847A-R903A 0.466401769444589 C529A-I945A 0.465122571958986 L566A-I651A 0.464788022873392 I199A-L328A 0.464485232338371 Y854A-S879A 0.463687115857714 L532A-I945A 0.463296376393918 I61A-P172A 0.461463387923777 C65A-E87A 0.459427802718012 A856A-V878A 0.45882094426188 S114E-Y144E 0.458065125795728 K482A-Q490A 0.454425762427599 I477A-K482A 0.45419117133694 I212A-G1136A 0.450433064137769 F131A-F167A 0.450182539196214 F1125A-L1246A 0.448451970454134 V18E-F189E 0.447068991144773 A815A-L849A 0.446991867726361 L196A-L328A 0.446701072125855 E819A-T852A 0.444586083866507 I110E-G148E 0.441044172858422 I20E-F193E 0.439286996073143 I1195A-F1235A 0.438988211694775 H198A-N327A 0.437979440556078 I61A-R171A 0.437898807739783 R138E-L200E 0.434825569791638 M142E-S198E 0.433839590748381 C15E-L192E 0.433555912390443 L1237A-R1242A 0.432279499029435 F143E-L201E 0.431139642201564 R489A-L509A 0.430902302251192 I1128A-F1157A 0.428643047848551 F143E-L1188A 0.423506031545215 L512A-R531A 0.422833437440501 L94A-I129A 0.421772805733133 S826A-V842A 0.418467210629454 V124A-R174A 0.418368861927922 V1270A-N1374A 0.418204458978227 I213A-R1236A 0.418197741767562 I931A-M1056A 0.417999638343592 E452A-T476A 0.417404652334377 L874A-R906A 0.417037153699095 R489A-L511A 0.416727273653592 N1154A-I1159A 0.416046552998806 I822A-R828A 0.414463509582417 L563A-V655A 0.414429413183906 S1193A-R1236A 0.41063037448941 A818A-V845A 0.409962304956756 V112E-L149E 0.409685741791991 C65A-P172A 0.407219998359204 H198A-M206A 0.404353068433766 I1189A-F1238A 0.404121071523546 C1134A-L1153A 0.403408360183176 L68A-V169A 0.403333165388511 C150E-V190E 0.400854959908552 L202A-V207A 0.397752160889744 L118A-S177A 0.396733038779076 K482A-E510A 0.392478373951478 L125A-R171A 0.391007369467988 R10E-C15E 0.390288618797718 V124A-R171A 0.389205391414212 A450A-I538A 0.387242679117439 K850A-I881A 0.385072350264767 P457A-C944A 0.385058575545373 V329A-L653A 0.383437837632739 I928A-I1059A 0.383078980363664 L1135A-V1240A 0.381043114636909 M483A-L513A 0.380802620769359 A166A-L576A 0.378404386340494 L509A-R534A 0.376166681704696 I212A-M1241A 0.373411759189885 A856A-A877A 0.371032243852093 C150E-G195E 0.369359026882007 W1182A-M1241A 0.369353745075803 F857A-S879A 0.367070327290425 E886A-K894A 0.366061461129552 K537A-C944A 0.365334928529045 S812A-P904A 0.363925319656052 I128A-F167A 0.363857742165308 S813A-P821A 0.363753915416653 F1060A-I1373A 0.363193557322725 R174A-V179A 0.361268224371696 T936A-C944A 0.35946044361205 C529A-K537A 0.358703478983827 I197E-F202E 0.358369587035661 C1134A-T1158A 0.35764965288917 F567A-C647A 0.35753259877572 T12E-L199E 0.357414131470462 Y210A-G1136A 0.357249881977664 Y144E-I1191A 0.356306711531225 C1134A-R1236A 0.355564971460519 A69A-L575A 0.355306801470262 E819A-T853A 0.354942545151532 A108E-L149E 0.354674730014464 I57A-F97A 0.353851505872939 C944A-F1045A 0.35360937774455 F843A-R900A 0.353582326754112 R531A-C944A 0.352594077325334 M483A-G517A 0.351112347273743 V1155A-V1197A 0.349888990857894 V934A-Y1048A 0.349245507404774 I847A-R897A 0.348636457042273 M1165A-D1186A 0.346842651328306 I895A-R900A 0.341222350175785 C505A-R534A 0.340789319352357 F656A-M1057A 0.340601293269719 L533A-M941A 0.339324947525546 F573A-L644A 0.338558573606479 E54A-F62A 0.337508644272229 R489A-G507A 0.337028061321824 I99A-K104A 0.336014907586289 T12E-L200E 0.33429172676012 M206A-I212A 0.332519666788802 C150E-L194E 0.332389276252575 R119A-D126A 0.330068674918322 V898A-I1284A 0.329478335636068 K482A-R534A 0.329130832047747 P139E-L204E 0.329034227403333 M1165A-V1190A 0.326201863938889 I1189A-M1241A 0.324381012312176 M479A-G517A 0.323511440471422 K850A-A907A 0.323395076748207 G19E-V190E 0.321902018196771 C65A-F167A 0.321680439320875 C65A-F92A 0.320427293472287 L849A-P904A 0.319938177700774 S111E-A147E 0.319749152902933 S451A-K540A 0.317370309562221 R119A-V124A 0.316343047861961 F1125A-C1134A 0.315803004205064 T1132A-T1158A 0.314005475981545 P821A-N829A 0.313834045236309 M479A-S516A 0.313469076527393 D1186A-R1239A 0.311507066832542 G1192A-R1236A 0.309903547960744 T1132A-L1243A 0.30973765906291 E216A-L1135A 0.309696339021062 Y91A-R165A 0.308998211532115 N930A-M1056A 0.308250579550035 M1137A-V1155A 0.307897009411434 V1197A-M1241A 0.307715964335366 A69A-G577A 0.30667256091924 I477A-M483A 0.305270637256905 C150E-R1236A 0.304489082397701 I1052A-M1057A 0.304098780963094 L68A-R168A 0.303950716168102 Y491A-G507A 0.303744880934609 G1192A-R1239A 0.303663472088736 L115E-M142E 0.303052487813638 H453A-G485A 0.302018170100603 Y117A-R171A 0.301710693926931 G148E-G196E 0.301677021636197 I128A-G133A 0.301615807018749 E90A-F167A 0.301525461829343 N123A-R168A 0.301278287028772 Y1269A-V1377A 0.30124552943367 G19E-G116E 0.300572315432073 C647A-F656A 0.299597353905329 V898A-I1280A 0.299132656369093 L885A-L899A 0.298870081548837 M851A-V875A 0.298706927804162 T539A-T935A 0.29857834742789 V329A-M1056A 0.298332336609091 F62A-E90A 0.297307892236524 S114E-A147E 0.296829138961058 G19E-A109E 0.296215746531198 I931A-I1059A 0.295995726874641 A1271A-L1375A 0.295246770320176 T853A-R903A 0.294977518871474 A450A-K537A 0.294514075954499 V112E-Y144E 0.294510478413967 H453A-S516A 0.293674962232881 I559A-V655A 0.293553850266776 N455A-M941A 0.293411775580139 H453A-C529A 0.293254218918422 S98A-I129A 0.292425967490272 R531A-K537A 0.29172840748792 G1192A-F1235A 0.2909351328696 L565A-G648A 0.290815445007089 E846A-L902A 0.289816595817299 S1193A-F1235A 0.289429050015932 M1129A-C1134A 0.288934436227732 L1267A-L1375A 0.288781918377272 R900A-M1276A 0.288570889081938 R168A-L576A 0.288071628696304 M479A-R528A 0.28747019818556 S111E-V145E 0.287462081877061 E216A-V1240A 0.287254238224818 M142E-D1186A 0.287191497802649 S141E-G196E 0.286129340222076 M1129A-L1243A 0.284178095416685 K8E-S198E 0.284100992292875 F92A-E100A 0.283803199219319 S120A-G178A 0.283734767508865 N455A-R531A 0.283716821688277 R10E-M120E 0.283106876960562 M1129A-N1154A 0.282756997399104 I61A-F93A 0.281817381304039 A107E-L151E 0.281197457310551 K482A-R489A 0.280874346287417 C65A-R171A 0.280571872317383 W1182A-S1248A 0.28050743103181 A450A-L481A 0.280340912834718 A101A-L125A 0.278696677583416 L938A-A943A 0.278639810834116 P821A-V845A 0.27653027870867 R823A-M1276A 0.276149686601916 I16E-I197E 0.275665229314547 V1190A-R1239A 0.275513720031492 C505A-E515A 0.275456430015216 N1154A-M1241A 0.274707693688869 L849A-R900A 0.27415470399323 A443A-G485A 0.274108925908323 C1134A-S1150A 0.273469957463852 D820A-V848A 0.273014983629853 N1131A-E1164A 0.272965672966865 K104A-S120A 0.272932963423756 E819A-N829A 0.272720909592228 Y210A-R1242A 0.272382869064116 E515A-R528A 0.271348078059952 P139E-V1184A 0.270869576966818 F197A-C647A 0.270311107058417 F131A-R168A 0.270195176609344 G214A-L1135A 0.270103652636549 S448A-K537A 0.268211972599219 C944A-I1047A 0.268114005837461 H453A-Y484A 0.267391597809176 N64A-F93A 0.266150187684082 E87A-F131A 0.264381371545181 N1154A-V1197A 0.262289923979722 P172A-I572A 0.262251674357407 F569A-A574A 0.261924754341548 V442A-M483A 0.261436836707759 E825A-V845A 0.260444343207651 F573A-C638A 0.259904332755041 S106E-L151E 0.259510490158519 L486A-S516A 0.258933026667335 L568A-G648A 0.258668499666338 L562A-V655A 0.258395917238538 G214A-L317A 0.258165075784082 G121A-R174A 0.256446891165341 L509A-E515A 0.25529033508677 M1129A-R1239A 0.255252207486645 V1270A-L1375A 0.255068573732014 G485A-S506A 0.255058629039707 S448A-Q456A 0.253584644493815 M142E-V1190A 0.253027830779089 I20E-V112E 0.252412603999562 L68A-E90A 0.251533703034283 S98A-G121A 0.251351360441476 M1124A-R1242A 0.249221218069056 M851A-R900A 0.249005571982796 M519A-R531A 0.248606498890725 A67A-R171A 0.248379165554043 K537A-W542A 0.247810615681729 F205A-G321A 0.246269962004279 E819A-N909A 0.245904579435363 L458A-C944A 0.245049865416841 L68A-L575A 0.24437966396922 G19E-F152E 0.242990533069586 L562A-N654A 0.242724161437806 I643A-G648A 0.242242841479396 N455A-R534A 0.242180566065712 A188E-G196E 0.241572553617318 C15E-V112E 0.241479518965763 A856A-R906A 0.240977659629321 S114E-P139E 0.240099149441075 V898A-V1283A 0.239776672488208 N64A-L89A 0.239665765595924 M1129A-R1249A 0.239382923663289 A450A-Y541A 0.239075956663706 N1131A-K1245A 0.238680093626266 L215A-T1132A 0.238392418035019 L1135A-N1154A 0.237106012936058 M479A-R534A 0.237030865996489 T55A-L175A 0.233970525571222 F475A-G517A 0.233246377648721 G19E-F193E 0.232871535369095 F197A-Y650A 0.232718847692817 Y144E-L149E 0.231412554312755 A23E-F113E 0.231157595867506 V1155A-I1195A 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