[Wed Aug 24 18:08:43 2016] >Input file: TM3QAKATD.pdb >TM segments: A8-33_A38-60_A85-104_A114-132_A181-198_A235-252_A268-290 MAIDEN score = -63.1634 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 ----------- ---------------- C245A-L276A 10 A20A-V282A 1.89631958746962 I21A-I53A 1.87282045854884 C28A-V46A 1.48734440846723 D52A-V282A 1.37831621610802 L249A-I274A 1.19223996893735 F44A-I98A 1.18861436819399 C245A-S277A 1.08616821536451 C245A-T279A 1.0275474480762 V45A-I98A 1.00655454330741 E13A-I60A 1.00454315963198 D101A-V116A 0.985556051990351 F93A-C128A 0.902599252181268 V55A-I60A 0.870881491134879 D52A-L87A 0.846651618322363 D52A-V283A 0.81839039751797 L96A-P189A 0.769203885926653 V27A-F286A 0.75313198642678 L48A-P285A 0.745517805969169 V55A-L87A 0.736146940487959 I21A-D52A 0.726462662768922 V31A-N42A 0.71733081092636 L48A-L95A 0.709488610723035 F183A-V188A 0.708771052309908 V40A-T117A 0.699659621975202 F182A-L187A 0.695947928914948 I92A-S281A 0.692204028517633 F44A-A97A 0.676612243955538 A54A-L87A 0.673827784669515 I252A-M270A 0.669269350850401 G23A-V283A 0.666871973636498 N24A-V282A 0.660945226281487 L190A-A243A 0.659585845625016 W32A-Q38A 0.657946934330312 W246A-A273A 0.656661587841834 A20A-V55A 0.645547233874428 S47A-I125A 0.644457993088086 A49A-V282A 0.637500344320391 N181A-V186A 0.63743247235585 V186A-W246A 0.629427615491945 I238A-N284A 0.621908382929484 V25A-A50A 0.618238514193854 I238A-Y288A 0.604528035965827 G56A-V282A 0.577864551029392 L249A-S277A 0.573951994059473 F44A-D101A 0.56631401535514 N24A-V283A 0.564169633241793 I100A-V196A 0.555051943828436 Y197A-V239A 0.54057843842023 A51A-L87A 0.53747097255758 L87A-S132A 0.536705030031493 V45A-A289A 0.536559656046402 L249A-M270A 0.532127750966516 L190A-V239A 0.532093700031213 I53A-V282A 0.527188784712638 L190A-F242A 0.526611211375393 F44A-A121A 0.514766292830472 A99A-V196A 0.508155790036112 L194A-V239A 0.508149372007214 N24A-F286A 0.502767054608249 N24A-A50A 0.499356938818522 I21A-V57A 0.496661538334761 V25A-A49A 0.491824287266604 A17A-V55A 0.483839646478818 V55A-H278A 0.482013813962944 L14A-I60A 0.47850134440135 V86A-S132A 0.467113467346259 S47A-S94A 0.464435824742743 V27A-A289A 0.460301381527893 I92A-P189A 0.455394316734364 Y9A-V275A 0.450887291221506 F93A-P189A 0.448841651733173 A99A-L235A 0.444484959452269 A59A-T88A 0.438929014274041 V55A-T88A 0.436039536716974 Y103A-V196A 0.433717238134561 A17A-V282A 0.431582944063063 I100A-M193A 0.42948984526273 R102A-V196A 0.426491773886626 Q38A-Y43A 0.426282195901364 Y43A-A121A 0.422915708487375 L115A-R120A 0.421147621692727 R102A-L235A 0.419236207834173 V25A-I53A 0.418389954273101 E13A-C245A 0.412825507486796 L96A-D101A 0.412563202338228 A184A-P189A 0.403401874285892 L19A-V282A 0.393730190474077 V40A-A121A 0.391062192278517 A20A-I53A 0.388615342349811 N24A-W29A 0.386978515178193 V45A-L95A 0.382574776877631 T41A-I98A 0.37899297331227 A97A-A126A 0.378845918976903 A30A-A49A 0.376410576303557 V27A-A49A 0.368591979219461 P189A-W246A 0.364652679737305 L249A-A273A 0.362354674566195 W29A-V46A 0.360281190809229 A20A-A59A 0.359033119000458 F44A-S94A 0.35720712587982 T88A-C245A 0.353740633293173 T41A-D101A 0.352069584496137 C245A-A273A 0.350587244560731 Y9A-Y271A 0.349297461482331 W246A-N280A 0.349125636177313 V27A-V46A 0.348557180698325 C128A-C185A 0.348224451172887 Y43A-K122A 0.347984118285068 V25A-Y290A 0.34657571837972 P248A-N280A 0.342924497262776 M193A-L235A 0.340185412211584 G240A-Y288A 0.337470771248071 V12A-V275A 0.336393538540529 V196A-L235A 0.335450910234389 V27A-D52A 0.334526752902945 A51A-S94A 0.330996519432251 T41A-R102A 0.3290005434848 F44A-I125A 0.326120566599694 V55A-V282A 0.324010509638872 L48A-S90A 0.322337075382103 V31A-Y288A 0.321338493719081 G23A-F286A 0.320792455343417 I16A-G56A 0.319214269424771 A99A-M193A 0.315793690646188 F93A-C185A 0.313014304769149 L235A-Y288A 0.311709644292978 I60A-H278A 0.311230529440918 V18A-D52A 0.309177952619811 A59A-L87A 0.307577672141524 C28A-V283A 0.30734274252029 C28A-V282A 0.307022488780686 C245A-I287A 0.303795830077008 F44A-L95A 0.302899030652396 T41A-T119A 0.301549391896327 W246A-L276A 0.301450861033919 A59A-L85A 0.2959450021095 P248A-T279A 0.293976843753491 G56A-S91A 0.292940012031037 I92A-V186A 0.29209231954276 G114A-A121A 0.291207177304686 L19A-V283A 0.290926629994876 N39A-R102A 0.289876704031183 A97A-G123A 0.289368468831812 T88A-P189A 0.28928299371831 Y9A-L272A 0.286982312216541 V46A-Y290A 0.285725756600366 V31A-V45A 0.284132143689274 S94A-I125A 0.282754930274377 L96A-M193A 0.281322376486151 V45A-C128A 0.277596040065319 F242A-L247A 0.277180647661957 L191A-G240A 0.275274568387592 V31A-V46A 0.270415724904859 V55A-S281A 0.267479251174852 A59A-S91A 0.264043172047927 A59A-S277A 0.262567436230979 L19A-H278A 0.2616859044187 G195A-G240A 0.261270573021931 S94A-N284A 0.261039097274218 S132A-N181A 0.258290772028865 L87A-S281A 0.257053062207583 N42A-I98A 0.25609555541501 H250A-H278A 0.254934612524202 V25A-V46A 0.252217605273636 E13A-V18A 0.249616659474418 L95A-S281A 0.249230611016923 Q38A-T117A 0.247333223350769 L48A-S91A 0.247280699537583 F93A-W129A 0.244765523846969 V130A-C185A 0.244531154070428 V40A-Y103A 0.242628336813731 T41A-L95A 0.241590262894129 A49A-Y288A 0.24079828062864 Y9A-A273A 0.239407937329954 L85A-H278A 0.239024065657533 V27A-P285A 0.23608512948248 Q89A-N181A 0.234869960983573 M193A-V239A 0.234383207034714 C28A-V40A 0.23248045173434 L131A-P189A 0.232195615837108 G56A-N284A 0.23193201548745 A97A-R120A 0.230991633447736 T88A-C128A 0.230624155167507 V55A-I92A 0.229791022378047 F44A-G123A 0.227757080685261 C28A-T41A 0.227598839530565 D52A-P285A 0.225445216010488 I98A-V116A 0.22503957871677 V196A-I238A 0.22377657823859 T11A-T279A 0.223169976392711 V8A-E13A 0.221470132899824 F44A-A126A 0.221403959201073 S90A-P189A 0.221092901175622 L85A-N181A 0.220649296121179 G23A-N280A 0.218953140869604 A97A-I125A 0.217850683229323 I104A-G114A 0.217377009455491 W246A-S277A 0.217255372299253 I92A-C185A 0.217042084185184 H250A-L276A 0.216706232186644 I21A-G56A 0.216229829884307 D101A-K122A 0.215613269530372 T88A-H278A 0.21547654426786 Y43A-R102A 0.214647194041168 L95A-N284A 0.210968120289115 F182A-H250A 0.208408526018226 L48A-S281A 0.208361956571995 F242A-V282A 0.207642019595522 V40A-V116A 0.207343202125463 C28A-I98A 0.205590345547366 S132A-S281A 0.204052195653027 V25A-S47A 0.203518614269719 C245A-I252A 0.203081929091342 A54A-A59A 0.202386434112311 L244A-N284A 0.202235849620856 V31A-F44A 0.202088779022567 N24A-S47A 0.201279959240274 F44A-A289A 0.199972850549662 L26A-N284A 0.199262817011633 L33A-N42A 0.199210996783242 A20A-V25A 0.198382395477203 N24A-S281A 0.198188651148717 L241A-N280A 0.197773523729497 L249A-V275A 0.197444564962111 P189A-S277A 0.196971141549245 A15A-H278A 0.196842010377748 Y43A-C128A 0.196336547824661 G240A-N284A 0.196210434294356 L33A-N39A 0.194784566219087 L19A-N24A 0.193824741360006 L85A-S132A 0.19371925539412 S90A-V282A 0.192433307097413 V46A-D101A 0.191895675941002 T41A-L48A 0.191815319772424 N42A-K122A 0.190774890635098 W32A-Y43A 0.190465606040687 S90A-V186A 0.190425166611951 A20A-T88A 0.190337496941722 L272A-N280A 0.189533776941814 A97A-I124A 0.188168867399176 N24A-F44A 0.185917453634866 L96A-G195A 0.185910777519037 N42A-S91A 0.185314990782703 T11A-I274A 0.185294122430412 I237A-C245A 0.18520957510787 N24A-S90A 0.184987484565113 T88A-N181A 0.184938777936011 V46A-S91A 0.184270463939147 P248A-S281A 0.184181823925663 L48A-K122A 0.184009874856846 C28A-N39A 0.181320527337938 V46A-P285A 0.180898252394307 L115A-K122A 0.180263645017175 G240A-L276A 0.179479003789087 N181A-L190A 0.17919817755109 I92A-H278A 0.178495194313711 L14A-V57A 0.178296982486917 L96A-S132A 0.176708135345097 I238A-I287A 0.176623533484515 M193A-F242A 0.17647006881956 L95A-S132A 0.176395262999136 C185A-L192A 0.176239377579513 S132A-A184A 0.175231841756364 L58A-S90A 0.175219596205229 E13A-V57A 0.174600485872812 N42A-D101A 0.174578577294329 V31A-S47A 0.173734379323135 G56A-N280A 0.171914288153557 V25A-G56A 0.171036377201263 E13A-V55A 0.169154460558036 F93A-H278A 0.169101279135476 M193A-L244A 0.168884191463887 L241A-P248A 0.168615458969041 A17A-T88A 0.167865658913218 L244A-H278A 0.167182707283163 F93A-A184A 0.166960988140634 N181A-L187A 0.1662214230615 S94A-C128A 0.165418796106112 A54A-V283A 0.164939933002242 S90A-C128A 0.163925812893739 L96A-P285A 0.163847468872907 D101A-Y197A 0.163811538239073 I237A-N280A 0.162996927377554 L244A-H250A 0.162972349630113 D101A-R120A 0.162021816409372 G56A-P285A 0.161962527520767 S277A-P285A 0.161694761256921 L190A-N280A 0.161038399635037 S90A-H278A 0.160928826565367 A273A-S281A 0.159995146562003 C28A-Q38A 0.159901045273898 A51A-T88A 0.159820785997399 I98A-I287A 0.159272408636385 S47A-L95A 0.158719197129392 S281A-Y288A 0.158541904460018 L48A-N284A 0.158446644983661 L190A-C245A 0.158170497591635 V282A-Y290A 0.158133059394893 L187A-W246A 0.158067384343392 I53A-N284A 0.157530474093497 A99A-V116A 0.156313552290827 L87A-N280A 0.155645983861706 S91A-F286A 0.155285361263782 N181A-L247A 0.154616569666832 N42A-D52A 0.154145721302458 D52A-T88A 0.153862544837393 L191A-V239A 0.153591740853868 V45A-R102A 0.153048906008133 A15A-V55A 0.152920810522763 F93A-N280A 0.152559203056822 A49A-P285A 0.152359544723168 L14A-T279A 0.152345654410194 G23A-A50A 0.151643389117863 H250A-Y271A 0.151332853937455 A17A-V57A 0.149960525957631 A17A-I60A 0.149691935286212 A51A-V130A 0.149595671761238 R102A-A121A 0.149594405962854 T88A-S281A 0.149156016736873 A17A-I274A 0.148857224813312 S47A-S132A 0.148540918224216 H250A-V275A 0.14761082242481 I100A-I238A 0.147160193361833 L235A-Y290A 0.14693032824215 I16A-V282A 0.146778262068438 S90A-V130A 0.146718144014759 L26A-Y288A 0.146552680565548 V55A-S90A 0.146320119386395 A50A-H278A 0.146115063696656 L247A-I252A 0.145803080957627 Y197A-L241A 0.145780499381564 L95A-Y197A 0.145370859890301 I100A-I124A 0.145334610387234 L48A-S94A 0.144617934674557 Y103A-V239A 0.144524661799556 Y9A-H278A 0.144347063284817 Y271A-H278A 0.14421305308807 L85A-W246A 0.143822870928704 L241A-H278A 0.143733440492852 F242A-F286A 0.143696228506421 V86A-V186A 0.143615140473286 I100A-T117A 0.14340269762422 V86A-S91A 0.143392887114745 V86A-V282A 0.143178933495028 I16A-I53A 0.142639685771016 D52A-N280A 0.142277538246155 S91A-W246A 0.142232615700037 N280A-P285A 0.141766231052862 V40A-A99A 0.141640356247711 Q89A-L131A 0.141404341733063 I16A-T279A 0.140230697627748 V27A-V40A 0.139853126783777 A243A-I251A 0.139708936989136 C185A-S277A 0.13913917268474 L190A-W246A 0.138071384878639 S94A-V130A 0.137544178358363 V12A-S277A 0.13734089428882 G23A-A30A 0.137250588707977 I104A-A121A 0.136643218765283 L22A-I287A 0.136467872103501 V12A-V283A 0.136459486154168 V46A-S90A 0.136300361921592 Y43A-L96A 0.136103507223754 Q89A-A97A 0.135978339301985 N24A-Y290A 0.135288502897241 Y197A-A236A 0.134331688279572 L244A-L269A 0.133366634751209 A59A-S90A 0.13331695477903 I53A-L95A 0.133044557400602 A30A-A50A 0.132799408306727 A51A-T279A 0.131590350415959 I16A-H278A 0.131212410763731 S91A-V130A 0.130890993387665 V55A-S94A 0.130818175715071 I21A-A54A 0.130740244672195 A243A-H278A 0.130671696746012 V18A-S281A 0.130583285888352 L247A-Y271A 0.130495527777603 A49A-Y290A 0.130153821998925 C185A-L247A 0.130149977377176 N181A-W246A 0.13002908916488 L95A-V283A 0.129992263212454 V45A-S90A 0.129980689898476 N280A-Y288A 0.129964986601027 L87A-V130A 0.129692908072483 L19A-V55A 0.129646954955203 N42A-N284A 0.129301306616251 L87A-V282A 0.128872958109491 I53A-H278A 0.128747115165297 L14A-V55A 0.128745964511069 Y197A-Y288A 0.128621941598445 Y43A-Y288A 0.128346499718141 I238A-L247A 0.128309073858065 Y103A-A236A 0.127581448439027 L190A-I251A 0.127520940954357 E13A-L276A 0.127275797942995 L244A-L276A 0.126887919224979 G114A-G123A 0.126781993029756 K122A-I127A 0.1264229845271 N42A-T119A 0.126233708373218 V186A-S277A 0.125794863942856 L194A-A236A 0.125751640851757 I92A-L244A 0.125751386138007 V45A-S94A 0.125193691770553 I10A-A59A 0.125046129745055 Y103A-G114A 0.125009158969402 Y9A-G56A 0.125009158969402 A20A-S277A 0.124618325618243 L192A-G240A 0.124612956942857 I10A-G56A 0.124563211346242 I60A-Q89A 0.124508205766973 L235A-P285A 0.123675841271828 L96A-I237A 0.123428885555801 L95A-L187A 0.122797700510241 A99A-P285A 0.122632503665723 Y103A-Y288A 0.122618791516556 I60A-Y271A 0.122372781150652 S91A-T279A 0.121981583360063 A30A-Y290A 0.121952533798074 I21A-V282A 0.121712515219408 L96A-L241A 0.12159472699897 S47A-G123A 0.121569613747732 L85A-C128A 0.121544061584292 I92A-N280A 0.121272527796081 A20A-V275A 0.12047405446011 V18A-I53A 0.120255961969888 A97A-N284A 0.120238069785548 I251A-Y271A 0.119815059195166 Y9A-S277A 0.119774724204589 A59A-N280A 0.119310399810046 G23A-I53A 0.119065466399353 L48A-A289A 0.118965098259279 L14A-L272A 0.118540774477156 Q89A-L190A 0.118169865603558 A97A-W129A 0.117247399693815 V239A-S281A 0.117200872742417 I92A-L194A 0.116981551162781 S91A-A184A 0.116659226781432 L95A-W246A 0.116581361893824 V55A-P285A 0.116427777682127 A99A-I124A 0.116254655814717 S47A-A54A 0.115823342978146 V282A-A289A 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