[Wed Aug 24 17:17:50 2016] >Input file: TM4H1WATD.pdb >TM segments: A60-75_A88-105_A263-279_A288-309_A762-782_A785-807_A835-850_A900-917_A919-944_A971-988_B4-22 MAIDEN score = -119.5470 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 ----------- ---------------- I775A-E785A 1.29287372405537 C774A-V849A 1.19714585042786 I264A-I307A 1.14615518374416 I907A-S974A 1.14317148523953 A69A-K297A 1.09391212146001 F73A-F88A 1.06892360127811 F279A-W288A 1.01887539814711 P803A-A912A 1.00337366572195 V271A-F776A 0.990288769252131 A779A-E785A 0.942472531343156 W272A-F296A 0.916109810449181 I94A-V790A 0.82829854514267 L302A-E771A 0.8084689181191 I97A-L793A 0.808364133366907 Y843A-V977A 0.805249016757489 M909A-I937A 0.790742963841122 L922A-P927A 0.751246481277849 T18B-I97A 0.745994879725407 V844A-I907A 0.743644103243135 I907A-L975A 0.733100012036936 L922A-E982A 0.7307971689057 E771A-V844A 0.72186168222723 L807A-L933A 0.721856002143781 L802A-S936A 0.719241987124939 L8B-L802A 0.71754610535688 C910A-I978A 0.71656069601082 V844A-L904A 0.708437076451553 I840A-V977A 0.707208287589951 I97A-L797A 0.704602251643625 L61A-V300A 0.697358447469416 T778A-V849A 0.694159466297545 L787A-L792A 0.683821317017606 L787A-A900A 0.672731616018827 I907A-V977A 0.669027316876603 A69A-E90A 0.665243798134123 I298A-P789A 0.643797300434141 W272A-A299A 0.640332175548016 L8B-A806A 0.636552179361662 L8B-W932A 0.636102826002181 L302A-V772A 0.629688548124619 P308A-L764A 0.629523469643588 I307A-N768A 0.622921008263457 L787A-L901A 0.619174492367846 S72A-R290A 0.613946600534908 L66A-P91A 0.611421237330083 V903A-I973A 0.608072715016627 L916A-P927A 0.603083551944647 V772A-G845A 0.599293428796273 A305A-L792A 0.598091824904576 L916A-M925A 0.594114243856179 S265A-I307A 0.59065243661647 P927A-L934A 0.587413153031593 A305A-N768A 0.586674223953351 L61A-V304A 0.584809977667647 G770A-Y843A 0.582805105213284 R836A-G841A 0.582463065725898 L802A-I937A 0.577627069822288 V769A-G845A 0.573349991750779 F12B-G801A 0.572195944592282 D981A-F986A 0.565995242097295 C910A-C938A 0.565773096394243 A806A-L933A 0.56342125679709 V769A-Y837A 0.563126963691624 Y763A-N911A 0.560185189775935 I22B-V93A 0.55982357038292 L65A-V300A 0.559267574523294 L302A-P789A 0.530031613892047 C9B-C938A 0.528826295829106 A847A-V903A 0.525310564686304 Y763A-A804A 0.524322844316166 I765A-Y837A 0.521001541501182 R762A-I840A 0.520595343600398 C268A-C774A 0.520531437499527 L8B-S936A 0.518093337154816 V773A-A846A 0.516946397279288 C70A-F88A 0.51480818453995 N275A-Y295A 0.514675982190155 Q791A-L901A 0.511328958636545 E908A-P976A 0.497609690789277 E7B-P803A 0.49706176626253 P926A-E982A 0.49647480519659 R762A-S915A 0.496226516127686 A68A-F296A 0.49433990808229 C774A-G845A 0.490048254231548 I264A-V772A 0.486674007862948 S767A-G841A 0.483144947775614 I94A-L793A 0.476834741797567 I97A-W794A 0.475967723827973 I840A-L980A 0.474895098614566 A68A-Y294A 0.474177990642086 I775A-L787A 0.473365525207 L302A-I775A 0.470488493803794 F279A-G291A 0.469187547517826 V977A-E982A 0.468387845504711 S767A-V844A 0.46477588505913 L807A-S915A 0.46467296465135 E771A-G845A 0.461467993569128 A301A-V790A 0.46105614534039 P308A-I765A 0.453655794668366 L66A-I94A 0.453029171361878 A847A-S974A 0.452901975316338 I765A-G841A 0.452503007729504 F279A-A292A 0.452377831821017 I775A-G845A 0.451837252941989 C774A-E908A 0.449643596764397 V271A-A780A 0.449540627544641 C910A-L975A 0.444540882991569 N275A-A779A 0.441457111589836 S921A-F986A 0.438524932332894 S917A-M925A 0.431733434849759 P308A-E771A 0.431088449544298 I840A-N911A 0.428883973597623 C268A-F776A 0.4284612454473 V844A-E908A 0.427934311315994 A786A-T848A 0.426771148529802 F12B-L802A 0.423848094271458 E785A-T848A 0.423575273333545 I264A-A303A 0.419355709539365 M909A-H944A 0.418864592363824 V903A-E908A 0.414993601889743 C70A-P91A 0.413783019888891 V773A-V844A 0.41333694777065 N914A-L922A 0.411692013678256 V795A-L904A 0.41154967844316 L916A-V929A 0.408486730775553 K297A-Q791A 0.407745883103781 V905A-H944A 0.406514430360945 P976A-D981A 0.406341090089942 A306A-V772A 0.40114531274995 F12B-L939A 0.400817561937788 Y763A-A912A 0.399691028713882 R762A-C910A 0.398979851372097 C910A-V977A 0.395585099348962 A847A-I973A 0.393666887481493 M909A-W932A 0.388626109602505 A306A-V769A 0.387328926882208 C774A-V844A 0.386739837656888 V15B-L797A 0.386276359304998 W794A-M941A 0.384934483704315 V15B-W794A 0.384318960465116 I298A-I788A 0.382991535574495 V795A-L901A 0.38295027964859 N914A-P927A 0.381337942285063 L65A-A301A 0.380815914155968 L904A-S974A 0.378015470101836 T848A-L901A 0.376789943845245 C910A-K985A 0.373864669662307 S72A-Y294A 0.373592886409128 A68A-I293A 0.369956877568353 V903A-L971A 0.369909068567411 S766A-M838A 0.366697066986222 P91A-K297A 0.366162916789515 P803A-L933A 0.366085038763159 A786A-A846A 0.361937111904586 E771A-P789A 0.356599929258973 A100A-L797A 0.352555309727616 C268A-V300A 0.352229956101326 V773A-G841A 0.352026155698967 L66A-L95A 0.350551671027783 L75A-R290A 0.349602733304981 A301A-L792A 0.349032329468525 A301A-L793A 0.346863943009982 G770A-V844A 0.345400355315483 S265A-A303A 0.34395036763865 L61A-A303A 0.34016378443225 I267A-F776A 0.339121592066034 C268A-E785A 0.338053913128403 F279A-Y295A 0.337739501231594 M909A-V929A 0.336433635386711 S766A-I840A 0.335876783669272 D800A-T805A 0.335187591990127 C774A-A786A 0.335177274972516 L913A-P927A 0.326873543180509 C268A-T778A 0.326469290932224 A305A-G770A 0.322124131592996 A306A-E771A 0.321609070195934 G105A-A804A 0.32137052451092 S265A-A301A 0.319337134764938 W928A-L934A 0.319334395538315 I71A-I293A 0.318980965358549 G770A-A900A 0.318893700325833 V104A-D800A 0.31856927123323 Y295A-V790A 0.316792815936353 P803A-I937A 0.315690519793446 N275A-R290A 0.315546055073439 A806A-S940A 0.315048598018686 V769A-G841A 0.313705257206071 G801A-G935A 0.312001477147776 L916A-N930A 0.31194154393999 A806A-W932A 0.30966116605793 V773A-G845A 0.307342606823176 I775A-A786A 0.306521567161793 I64A-V300A 0.300188732651044 P308A-Y837A 0.299868067892105 T848A-A900A 0.299132547280724 T18B-L96A 0.299112821003438 E771A-T778A 0.298438276137139 L16B-L943A 0.29683942265298 L302A-L792A 0.296830664595189 L98A-L793A 0.296754246467178 L807A-L916A 0.296663906544551 T848A-P976A 0.295471909455076 L764A-A804A 0.295279458156767 V798A-P803A 0.293942017706122 L802A-L939A 0.29284445844945 L807A-A912A 0.291666898675217 T778A-P789A 0.291018387728535 L777A-A846A 0.290942878640649 V844A-S974A 0.290502598880606 L913A-G979A 0.290212253651192 I307A-C774A 0.289408145498101 L8B-T805A 0.289203616735604 C774A-V905A 0.289104269650792 P927A-S936A 0.287187250179707 I274A-A779A 0.28579121215117 C268A-V772A 0.285507100498215 G770A-N796A 0.285192792105355 T5B-P803A 0.281539332734665 G277A-A779A 0.280082513856967 A786A-L901A 0.279506997201933 A847A-L904A 0.279356764531597 S767A-A839A 0.276678531125718 G801A-L933A 0.276575961637503 G845A-E908A 0.274856297245003 N919A-F986A 0.274568238530021 G841A-D981A 0.27273574550807 M838A-N911A 0.27264090072623 V790A-V795A 0.271012624772054 G850A-L901A 0.266984417332199 K297A-L302A 0.26480404359503 T799A-C938A 0.263930007223549 R6B-A806A 0.26387308629695 Y843A-V905A 0.263608785043095 E771A-Q791A 0.263582780605421 S915A-N930A 0.263283472197775 I267A-V772A 0.263083819262634 L777A-V849A 0.262120181027285 I765A-C774A 0.260917543768503 N11B-S940A 0.260374232808561 V795A-E908A 0.259527980617303 A804A-A912A 0.259098960504629 M909A-C938A 0.257293113051134 V15B-V798A 0.254851605547997 S917A-N930A 0.252768423835012 C268A-L302A 0.252716525522127 R290A-Y295A 0.252229690859498 V62A-L98A 0.251683249335343 G842A-L980A 0.250709601385592 M909A-N930A 0.250078029871272 E785A-V849A 0.25005410731458 R924A-N930A 0.249602404336962 L904A-H944A 0.248395515543022 I274A-A780A 0.248279550567176 P926A-L934A 0.247431315045509 C774A-V795A 0.247040021871068 S767A-L904A 0.246676922676918 V14B-V104A 0.245325962728804 Y763A-D981A 0.243490738249469 T13B-T805A 0.242757692848565 T799A-L943A 0.242051670521785 C268A-N768A 0.241804871684202 Q791A-T848A 0.241789080076595 A68A-G291A 0.239825083049519 V844A-V977A 0.239012099268838 A270A-Y295A 0.237556626264252 L777A-E785A 0.237472163311322 R836A-L984A 0.235890410204908 E771A-L792A 0.235754675403935 Q791A-T799A 0.235691632778972 E7B-N101A 0.234258104161873 T799A-L933A 0.23405598576816 L787A-G845A 0.233912085945083 L913A-N930A 0.233370708539478 L797A-T805A 0.233213965016596 V795A-V905A 0.231966726411144 L764A-T805A 0.231764372517736 L61A-P308A 0.231685821050913 L302A-N768A 0.231323131187972 L764A-P803A 0.231011733162947 T799A-C910A 0.230502979687328 L904A-P976A 0.229622950518914 I94A-V304A 0.228849285932405 S767A-S902A 0.228632901448247 W272A-V300A 0.228535362996016 R762A-A839A 0.228434381684167 T13B-T799A 0.227930938072326 L913A-I978A 0.227499352114422 L10B-T805A 0.226738911345183 A786A-A847A 0.226577414279571 V93A-V790A 0.226512687616188 G845A-N911A 0.225807262313067 N768A-G841A 0.225526846302061 P803A-L943A 0.225243721120184 C910A-S974A 0.22282354802315 C774A-Y843A 0.222484978526595 F776A-Y843A 0.221687986664914 I907A-A912A 0.22162711306844 G770A-V903A 0.221350201482358 V14B-G105A 0.219681638948685 V93A-W794A 0.219541878865567 N919A-P926A 0.219053828796656 F296A-A301A 0.218129174147418 W272A-Y295A 0.217998506819149 V269A-Y294A 0.217970684031879 I765A-C910A 0.217937689023847 V769A-V844A 0.217323664347116 S766A-S974A 0.21704942017512 Y295A-G782A 0.216569926850349 V19B-V93A 0.215299290884724 N768A-R836A 0.213643371513154 G770A-I840A 0.213464780034375 L980A-K985A 0.213087172168601 G770A-L792A 0.212573434638935 R762A-D981A 0.211423072344036 Q920A-P927A 0.211369455984022 V903A-L975A 0.210997403672632 V773A-G850A 0.210966496892659 L8B-G801A 0.210892698316295 S915A-P976A 0.209347654742682 S767A-A847A 0.209202725336015 A69A-Y295A 0.20848590040332 P803A-L916A 0.207787458736299 S915A-V929A 0.207676208059176 T799A-S940A 0.206970001085802 Y837A-K985A 0.206867005954733 V849A-L901A 0.206331670929208 C9B-I17B 0.206060619681463 E785A-Q791A 0.205696381366218 C268A-I788A 0.205590345547366 T906A-L913A 0.205567475894215 V62A-I97A 0.20496550852171 C268A-N275A 0.204782406110789 L802A-S940A 0.204704337677402 V798A-L939A 0.204000265359052 R63A-A301A 0.203908367014273 A100A-D800A 0.203639290640304 G105A-P803A 0.202693120194481 V304A-E309A 0.202615479792043 M925A-L934A 0.202609691308614 V844A-S902A 0.201810725491314 L10B-N101A 0.201745115271809 V15B-S942A 0.201050907980438 V271A-G277A 0.200892338378893 P308A-G841A 0.199935316604327 N911A-L934A 0.199871562299314 I20B-V93A 0.199663342998081 N914A-Q920A 0.199578042114969 P927A-G979A 0.199520951422644 R836A-N911A 0.198495057285269 V15B-D800A 0.196685264034937 A912A-D981A 0.196545182113273 T5B-G801A 0.196299951733421 L764A-D800A 0.196170934839557 A69A-R290A 0.196092806015228 G841A-N914A 0.195895209974456 A847A-A900A 0.195735593341235 V271A-I775A 0.195557378135383 E771A-T799A 0.195038579319153 C910A-L922A 0.194527544572207 S72A-V89A 0.194332174711812 N911A-L984A 0.192803444725681 N11B-L943A 0.192798800692726 C268A-G845A 0.192091294116981 N914A-R924A 0.19198881958435 N911A-L916A 0.191770841348713 N919A-L980A 0.191415588471518 N101A-W794A 0.190712128756734 I64A-K297A 0.190650027822208 S766A-A846A 0.190453902905235 S936A-H944A 0.1902333376795 Y763A-V905A 0.1902291938245 C9B-I937A 0.189660857165465 V15B-N101A 0.189015570555584 L802A-L933A 0.188394799491736 I840A-G845A 0.188181769293177 V263A-M838A 0.18815257662621 M941A-S974A 0.188107191838182 S915A-S936A 0.187932169847788 L797A-M909A 0.186980049978333 N11B-D800A 0.18679880243916 L21B-V93A 0.186683394974282 R836A-N914A 0.186564364884922 R762A-K985A 0.186485639584895 Y763A-N796A 0.186444975951046 P803A-M909A 0.186436678586089 N11B-G935A 0.185469814486437 G850A-S902A 0.184613533701209 E771A-Y837A 0.184270878656448 E309A-Y763A 0.183661580523529 L302A-P308A 0.183579894775823 P926A-L933A 0.181938734678747 G105A-N796A 0.181714015806671 G845A-V977A 0.181040347269984 Y763A-E771A 0.180892836009154 C9B-L933A 0.180662050661532 P803A-S917A 0.18033350818273 Y763A-S917A 0.180040620689814 I765A-R836A 0.179900275135036 A68A-I94A 0.179666985319382 L302A-I307A 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