[Wed Aug 24 17:24:45 2016] >Input file: TM3FI1ATD.pdb >TM segments: A14-31_A60-77_A98-115_A123-137_A159-175_A183-198_A206-220_A222-237_A291-310_A332-349_A360-376 MAIDEN score = -67.0753 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 ----------- ---------------- T132A-G338A 10 I128A-I345A 2.17412197038207 I304A-I333A 2.00155795842206 I337A-S369A 1.44296072798889 L296A-I365A 1.20049744855908 E124A-I292A 1.18567462221865 P129A-L296A 1.18072554690348 L297A-I365A 1.11074137551887 L73A-V231A 1.09498756180363 M105A-A130A 1.03879604513482 A109A-P129A 1.00432849754856 L73A-G230A 0.930430251261039 A130A-K300A 0.923071784210907 A346A-K362A 0.892584793809661 L77A-F235A 0.88460436499637 E124A-A346A 0.880186864054965 D65A-L220A 0.874398420938694 L159A-D164A 0.870884603744417 L113A-W126A 0.83722009684813 I168A-V224A 0.826068476214116 I99A-L310A 0.810297833544298 I191A-L215A 0.801511157461323 D65A-V224A 0.788845312770231 I337A-I370A 0.782718615003709 I292A-W360A 0.757826831523436 L220A-H225A 0.754513967435541 I128A-S342A 0.750632156651315 W216A-A226A 0.746509890170415 N198A-I237A 0.729669455458482 L184A-V219A 0.722638301492123 V107A-L306A 0.717433118282524 F339A-L366A 0.697425395878716 I304A-G336A 0.696328522856819 P108A-P301A 0.693703495898065 G76A-I232A 0.685458943459655 F72A-V231A 0.66887715722816 I134A-A160A 0.667147248513709 V75A-G234A 0.662958542213907 K300A-I365A 0.657733582487467 G338A-S369A 0.657641503875631 Y208A-F236A 0.65298295115341 N64A-A69A 0.646155914346533 A100A-L159A 0.631034576231047 F71A-G230A 0.626432477084838 V224A-L348A 0.618323047534147 A187A-V214A 0.615902937489567 K300A-C335A 0.615876132509403 A127A-I345A 0.605303878900343 A187A-W216A 0.598689210877952 A195A-F236A 0.59475980077458 P108A-P129A 0.591414086639601 A69A-L228A 0.589465763179851 V98A-I162A 0.575293819626479 R123A-I171A 0.573943683442365 A69A-T227A 0.57135744831643 I209A-V233A 0.566814839990295 F339A-S369A 0.562040650827571 A101A-F307A 0.55803929218264 L159A-C335A 0.557544578307533 T132A-D163A 0.557503091051276 Y208A-I237A 0.555985489390336 V75A-I161A 0.553046376862341 V186A-L215A 0.550447848071425 C308A-C335A 0.546576229811744 G76A-V233A 0.539599577856564 D133A-A160A 0.536696398609124 L184A-A218A 0.535546327944019 L297A-S369A 0.53116225448646 L194A-V211A 0.530178970768599 P129A-G338A 0.52708017261765 I128A-L296A 0.524386586779629 T132A-F339A 0.521964507256934 K300A-I337A 0.51261745799927 A190A-V214A 0.51160783768817 G76A-V231A 0.508301394404361 L194A-F236A 0.507655797783178 A101A-L159A 0.507634690767261 P108A-L306A 0.505249130378153 G336A-S369A 0.501696526221752 V219A-A229A 0.496186198749667 F136A-I337A 0.492396259260464 L113A-E124A 0.489452469806901 I304A-C335A 0.483934200145473 Y112A-I298A 0.481810878797199 I293A-L363A 0.47819677559021 F72A-T227A 0.476356713226334 A130A-D164A 0.473088033958069 L73A-V233A 0.47212426520675 P108A-E124A 0.470135906957561 D133A-C335A 0.467487071895923 I343A-I365A 0.465412125532643 L297A-V367A 0.461958207091674 I168A-L228A 0.460410829731891 L73A-I232A 0.460070872946142 A131A-D164A 0.459267631529506 P129A-I365A 0.455155106916353 V98A-L159A 0.453502868393624 G303A-I333A 0.452546201127837 I134A-G338A 0.450899572536643 P108A-A130A 0.445968652058585 L197A-Y208A 0.444480279117956 V107A-S305A 0.435551756445223 Y112A-L296A 0.429757214385747 P108A-L302A 0.425640757700273 A69A-W216A 0.424417610973743 A69A-V231A 0.419351477588326 G338A-I365A 0.417933986174429 A130A-S342A 0.416351349187837 A109A-A130A 0.414957999704574 G336A-S372A 0.414528969118327 I337A-G368A 0.414249539836872 N198A-F236A 0.409327024948608 F339A-I365A 0.409281494232765 I292A-G364A 0.408327110300004 T217A-A226A 0.406099775851985 A187A-L215A 0.405448663770287 V75A-L165A 0.404436109364912 P129A-K300A 0.401743562039126 L77A-V233A 0.397813498234643 S183A-H225A 0.397646843970848 K300A-G338A 0.396672997961576 L110A-F115A 0.395951834932227 G338A-I343A 0.395604348834676 F72A-L228A 0.394437860696717 L60A-D65A 0.390046531470421 T132A-A137A 0.386314864883867 I128A-I343A 0.385902940372701 M105A-A127A 0.384182706760705 D164A-M341A 0.381383699254811 M105A-W309A 0.380348454147625 K300A-I333A 0.379685119069983 A188A-A229A 0.379499284616197 F136A-F339A 0.378959171039535 A172A-A349A 0.377315065954418 I293A-I365A 0.376473213122224 I134A-I161A 0.375325374815914 L73A-A229A 0.374260633407592 G104A-I304A 0.371159034865502 Y208A-V233A 0.367479824237325 A346A-A361A 0.366854994849802 I292A-A361A 0.366799338703233 P129A-K362A 0.363639495051548 T132A-I337A 0.363547078395687 M105A-I162A 0.362998386308313 L296A-A361A 0.360346741735475 V193A-V211A 0.360156036329374 L110A-W126A 0.358153933885131 V189A-Y208A 0.356285844662003 L215A-A229A 0.355569166628073 P108A-L296A 0.355015926137279 C335A-T340A 0.352274284350112 L77A-V231A 0.35161092078908 R123A-I128A 0.350992137653149 A101A-A167A 0.348506630581253 A137A-K300A 0.348199933075872 A294A-G364A 0.347634743250852 I293A-A361A 0.344843919071421 I168A-I345A 0.344327426812369 A172A-A229A 0.34120719869115 A131A-I345A 0.340740359285292 W216A-G230A 0.339357684542884 A29A-K362A 0.339311363415328 G212A-A229A 0.338772814874827 A137A-I337A 0.33607283833908 I171A-V224A 0.334856829699021 D65A-V213A 0.334576080939085 A167A-A346A 0.333416514750575 A172A-H225A 0.330894651874469 G125A-A131A 0.32923834266749 T132A-S342A 0.328684762906766 P108A-S342A 0.328333925755587 G125A-A294A 0.328221299452002 M68A-T227A 0.327640267375427 Y112A-G295A 0.326734362207709 I293A-W360A 0.326729453792553 T132A-L334A 0.325441672603786 L194A-V233A 0.324653541420143 I298A-G303A 0.314739462138364 L77A-I237A 0.313832922255974 G76A-G212A 0.313355330236118 A188A-G212A 0.313273025306692 D163A-C335A 0.311651422688557 I337A-A373A 0.309001604565487 I102A-I162A 0.308286051739754 I161A-G166A 0.306454203036723 G14A-A137A 0.305916617579417 G299A-G332A 0.304765926298922 A100A-S305A 0.30252382628147 G125A-I292A 0.302500658123758 A69A-A229A 0.30222350957485 A160A-K300A 0.301938546137421 L194A-Y208A 0.300440879626538 L113A-R123A 0.300246126771845 G125A-G303A 0.299881918181636 V70A-Y208A 0.299230447594193 A361A-L366A 0.297412677296057 A100A-G303A 0.2960744735802 G125A-G364A 0.295488969125761 S342A-G368A 0.294654995841699 Y175A-V219A 0.294594732092763 L60A-G223A 0.290211565960214 I337A-I365A 0.2900291076268 A167A-I345A 0.289550910643012 G104A-F307A 0.289126386010177 A127A-G295A 0.287681466721413 A188A-L215A 0.286979691048111 K300A-G368A 0.286841165899951 A100A-L306A 0.286312694910807 G103A-F307A 0.285705348334444 A195A-G212A 0.285091743443067 L74A-V231A 0.28426452441802 F307A-G332A 0.280666227009537 L159A-G336A 0.280551664932436 G104A-L159A 0.279549333814418 L215A-A226A 0.279157609062156 A160A-L165A 0.278079678124502 A109A-A114A 0.27779863267578 D65A-T227A 0.2757313990252 G338A-A361A 0.275308515223159 M105A-A131A 0.274462313698484 A66A-T227A 0.273716642251765 V219A-V224A 0.273545458524517 G223A-L348A 0.27273304981745 G125A-S342A 0.271964029156038 L334A-G376A 0.27125593889522 S183A-V219A 0.269457448444316 Y112A-G368A 0.268606986808926 E124A-L296A 0.267538040740108 G303A-S369A 0.266788896836741 A109A-G299A 0.265548920920769 P301A-G368A 0.264640412669481 G104A-L306A 0.26333708178227 G206A-G234A 0.263294292212965 A160A-C335A 0.262886561615209 L296A-G368A 0.26247920572483 I134A-M341A 0.262110520945505 D163A-G338A 0.262108511647912 G295A-W360A 0.260790237576524 G104A-Y112A 0.260559474667222 G125A-L297A 0.260232110168581 L302A-S372A 0.258771893994048 P129A-L297A 0.258520298725239 A361A-S369A 0.258220124205438 G299A-S372A 0.258117391364642 I106A-A130A 0.256358719942423 E124A-F174A 0.256314473417573 S342A-L366A 0.254198316962864 A167A-A349A 0.253375644264551 L111A-G295A 0.251499755786212 L297A-L366A 0.251151120342961 V107A-G299A 0.250626162076435 G103A-G299A 0.250379935387329 P108A-L113A 0.250090031812626 L363A-S369A 0.249584502987317 G104A-L334A 0.248346310569545 I298A-G368A 0.248209073547824 C335A-I345A 0.247813834240107 G125A-L296A 0.246901423333759 P301A-S371A 0.246461816179711 A131A-I337A 0.24527298800807 I333A-I375A 0.243329780895748 G291A-L296A 0.243221879244828 I134A-C335A 0.242071407444144 G104A-D164A 0.241451586804669 I169A-L228A 0.241184180573247 G303A-G376A 0.240879210023214 L210A-G230A 0.24071070950743 W126A-G166A 0.239321152604771 P301A-I333A 0.239075692719026 T132A-D164A 0.23742117392887 A109A-G291A 0.236698785007659 L74A-G234A 0.236414060712065 N198A-G234A 0.233702605839024 A130A-A167A 0.233126184248741 L74A-T227A 0.232465602065094 L334A-S372A 0.232112157608896 W62A-H225A 0.230292240125237 A100A-F307A 0.229841087067808 G299A-C335A 0.228610596739658 W126A-G295A 0.228153557130843 D163A-K300A 0.227534424447613 G104A-A130A 0.226812533591922 P129A-S372A 0.225030467082789 L165A-G230A 0.224148503557333 V219A-G230A 0.219989792145072 I191A-G212A 0.21955102851375 L296A-G364A 0.219259192258923 A22A-S369A 0.218027058565562 S342A-S372A 0.216965203547228 A187A-S222A 0.216279145525875 A131A-S347A 0.215637666140389 C335A-I365A 0.215190357373964 V213A-A229A 0.21487004005602 G206A-V213A 0.214625739250809 F71A-A226A 0.214534462283179 M68A-V213A 0.214317687623148 W126A-G299A 0.214262113284067 V186A-G212A 0.213032096490118 W62A-T227A 0.212337753762817 A101A-A160A 0.211002222767376 W216A-H225A 0.210962533174892 T340A-G368A 0.210677177778779 V107A-L113A 0.210128927314549 V219A-L228A 0.209811093985887 I128A-G338A 0.209731530741245 G166A-I345A 0.208893608124069 V189A-G212A 0.208796623114927 A131A-S369A 0.208464985128343 L74A-G230A 0.208399841690128 L215A-V233A 0.208232929059525 N198A-G206A 0.207368151119107 I337A-G364A 0.20657555766963 V107A-L310A 0.20638474478622 F174A-A349A 0.20636535441508 D65A-V214A 0.206319560026236 I304A-G332A 0.205714717196151 M68A-L73A 0.205604972575852 L184A-V189A 0.205516937183102 G291A-I365A 0.205372525245001 A127A-S347A 0.205197741926477 A109A-S342A 0.204060042961702 T217A-I232A 0.203690230193781 P129A-L366A 0.203531760079995 D133A-L334A 0.203393944152007 L18A-M26A 0.202688134370362 G291A-P301A 0.202649329821383 G104A-I162A 0.202097448447425 I128A-K300A 0.202096949380903 P301A-S369A 0.201574546956291 I298A-G336A 0.200941914468684 V211A-F236A 0.200381618078469 P108A-G364A 0.19974250740976 K300A-C308A 0.1983286227728 D133A-A373A 0.198326221032533 G338A-I345A 0.197446667045161 S342A-L348A 0.197081898417227 L77A-G234A 0.196677612440288 H225A-V233A 0.194509943679393 G125A-A167A 0.194322017742015 L296A-M341A 0.193639923324625 V70A-T227A 0.193340726704584 G166A-T227A 0.193306470228988 N64A-T340A 0.19269845038768 A130A-G338A 0.192134938597051 L111A-G299A 0.191089678265152 A131A-A137A 0.189764118594397 I106A-T132A 0.188771295339274 P129A-S347A 0.188135413040817 A69A-F344A 0.18784142176223 G299A-I365A 0.186653852586948 I168A-T227A 0.18619158856825 A131A-G299A 0.186162625284529 A160A-S342A 0.183221967710792 N64A-G230A 0.182743211562311 Y112A-G336A 0.181757987991625 V70A-H225A 0.18137082268189 Y112A-I292A 0.180660914252591 E124A-Y175A 0.180653146085428 G15A-A135A 0.180368861329102 V207A-F236A 0.180181609746347 P108A-G166A 0.179448203337614 G185A-L220A 0.179234936209281 S183A-A226A 0.178982756479119 A131A-K362A 0.178945799229217 L215A-G234A 0.178904783524568 C335A-I375A 0.178828759659193 S347A-L363A 0.178797260275489 I209A-V231A 0.178515576711241 Y112A-S305A 0.177826415762237 L302A-G338A 0.177809121219012 D65A-G230A 0.177655240169677 M68A-G234A 0.176524033030723 F72A-L165A 0.17648027834078 G104A-L111A 0.175774211195666 A131A-A167A 0.175435276699151 I128A-G299A 0.175338880091724 E124A-A131A 0.175078878513624 G336A-I365A 0.174824692529123 V213A-H225A 0.174650811789645 D164A-T227A 0.174508300509871 I99A-C335A 0.174229134357025 A218A-G223A 0.173399202690941 L113A-K300A 0.173355474254735 I161A-T340A 0.173329713196682 Y208A-A229A 0.171853278510116 I333A-G368A 0.171641746778155 G166A-L173A 0.171543419940729 V196A-V233A 0.1712395465198 G104A-A167A 0.169056628086903 L297A-G368A 0.168760320372545 K300A-T340A 0.168617734604698 P301A-C335A 0.168524344977632 I106A-A114A 0.168495665205646 G15A-A22A 0.16782669818355 V189A-V213A 0.167817810322131 G76A-A135A 0.167588876401206 A190A-G206A 0.167553741993016 G338A-S371A 0.167301763059511 G76A-Y208A 0.166474760321518 L348A-K362A 0.165871477044336 A127A-G368A 0.165839575175578 G166A-A349A 0.165262374515611 L165A-G338A 0.164985368479062 T132A-M341A 0.164806069423909 L334A-G368A 0.164649440350123 A101A-K300A 0.164430746536381 F307A-G336A 0.164378499884219 A195A-G206A 0.164243724943239 I293A-K362A 0.164175811752482 H225A-F235A 0.164111491510671 A195A-G230A 0.163779121676069 A135A-G332A 0.163321112239923 G336A-A346A 0.162706516213217 A190A-I209A 0.162662744708295 A66A-G234A 0.161993497673283 I128A-A346A 0.16197317133088 R123A-S347A 0.16189271925966 A188A-G230A 0.161825885936481 G295A-A349A 0.161636831452177 A294A-G338A 0.161636831452177 G166A-H225A 0.161512394568753 A131A-G295A 0.161192009258853 E124A-L348A 0.160581928820122 W62A-L348A 0.160380950870074 V214A-H225A 0.160337248640226 A109A-T132A 0.159212408204392 G103A-L306A 0.157224821700054 V219A-V231A 0.157194304992836 W62A-L220A 0.157006290438047 C308A-G336A 0.156877346901725 V211A-V231A 0.156789712516504 A114A-R123A 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