[Wed Aug 24 17:39:00 2016] >Input file: TM1E12ATD.pdb >TM segments: A28-48_A65-86_A104-120_A137-154_A158-176_A202-224 MAIDEN score = -41.6514 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 ----------- ---------------- Y109A-C145A 2.2748381562226 W112A-C145A 2.22998140590977 M144A-F171A 2.13235570032854 M144A-S168A 1.9413644920678 V86A-Q105A 1.650927174224 I44A-L67A 1.23583249239175 I69A-M118A 1.20577415551635 I69A-I119A 1.11276727398853 V37A-I74A 0.966343316263586 V86A-W106A 0.899385480640283 A113A-D141A 0.856829982643246 A43A-P70A 0.850498915038449 A150A-R161A 0.844970523793654 W34A-L81A 0.842288534189537 W106A-A152A 0.803745510720938 F47A-T66A 0.801954862626339 V216A-L223A 0.788434003902802 L110A-L149A 0.739410963372787 D141A-V174A 0.73403651387421 L176A-V204A 0.733897212724864 L33A-L81A 0.724024949161972 V216A-L221A 0.718900371563452 L80A-V86A 0.712168294191852 L120A-I138A 0.699239542084663 N36A-I74A 0.684675596568698 T154A-F160A 0.683373428620945 V216A-V224A 0.67809709847287 A151A-W162A 0.65898399233921 A150A-F164A 0.625947504027099 A40A-L71A 0.61199076748427 P117A-I138A 0.604145735409282 M144A-F172A 0.583869447808564 S30A-L81A 0.575224028791595 A151A-R161A 0.562854504500248 N36A-Y77A 0.556045670070634 F47A-L67A 0.546168683517813 S76A-G107A 0.531965354754823 Y109A-V146A 0.525512166846448 A113A-V146A 0.510025078359992 W106A-L149A 0.498542089346378 G79A-V86A 0.492540991202176 A151A-F160A 0.489532326453107 A140A-F172A 0.489522038709147 T85A-W106A 0.480514131804393 G143A-S168A 0.469482277582267 V137A-V175A 0.464979790537194 S73A-S115A 0.464609042801974 V72A-L114A 0.463654643713028 G41A-P70A 0.459995081579949 V72A-T111A 0.459966849187797 P117A-I142A 0.455058488032259 I44A-L71A 0.454990786456597 T116A-D141A 0.44305148317946 W34A-Y77A 0.4350437502585 L80A-R108A 0.421065029934868 A40A-S73A 0.41478394722028 L120A-V137A 0.409877657338256 M153A-W214A 0.400173609162785 A65A-M118A 0.397212272548997 A40A-I74A 0.3964932297703 A150A-A166A 0.373327524321076 G217A-V224A 0.362461032551603 V37A-S73A 0.362084451439443 M144A-A170A 0.359546501932941 T147A-I167A 0.356137685466646 M68A-I119A 0.352976017515238 Y210A-V218A 0.349802087870706 V37A-L78A 0.343563835071832 M144A-I167A 0.341908550395337 W112A-V146A 0.334904415472987 S104A-A152A 0.331121575979673 N36A-R108A 0.328780117701957 T85A-Q105A 0.325794038202037 A152A-G217A 0.324630247645898 C145A-S168A 0.321629410053806 G41A-I74A 0.320162823979681 V146A-S168A 0.320156638889014 M68A-W112A 0.319502325492968 I138A-C169A 0.319398284809076 R108A-L149A 0.31921439229719 S104A-A151A 0.314323855917653 W214A-E219A 0.313153730099194 V137A-V174A 0.310218482189277 T111A-T147A 0.304611861070452 C145A-I212A 0.302792402800746 G148A-F164A 0.300840348123625 F160A-E219A 0.299440851382514 S104A-G217A 0.298391046005728 L110A-V146A 0.297981179380737 Y77A-R108A 0.295738717476351 L33A-L80A 0.295151614986421 S73A-P117A 0.293784333749134 G148A-A215A 0.292281061156645 C169A-V213A 0.291371009376225 A152A-S168A 0.288853494508702 P117A-T203A 0.287441945637374 W162A-P211A 0.286943582585305 F164A-E219A 0.286295812362246 Y109A-P117A 0.285851582489835 L159A-G220A 0.283775488952119 G107A-L114A 0.283488892025467 V213A-V218A 0.281373479913693 V213A-V224A 0.280658790183389 C169A-V204A 0.279253898927879 A152A-A163A 0.279169699275642 L33A-Y77A 0.274613182283476 Y109A-G148A 0.274374440802404 S30A-G83A 0.273125637833223 L120A-D141A 0.271932376140463 D141A-V204A 0.267455639401959 A151A-A163A 0.267375475339747 L80A-T85A 0.261204492600093 P70A-W112A 0.260838853567792 T85A-W112A 0.25871383954741 A152A-E219A 0.25620974544703 V218A-L223A 0.254783343445666 V48A-L67A 0.254656036536487 F160A-C169A 0.254528462768129 I44A-P70A 0.25406146795817 N36A-S75A 0.252536434417945 C145A-E219A 0.250904863371728 L110A-G143A 0.248327019154834 L149A-S168A 0.248185586392901 V213A-E219A 0.248054842915143 S32A-Q105A 0.247164464181586 W34A-G79A 0.246301675710193 L80A-G107A 0.245638667146103 L110A-C145A 0.245349960201518 Q105A-G148A 0.244324947139658 L45A-T66A 0.241986877386082 S73A-L114A 0.241792669190298 Q105A-G217A 0.236989562452175 Y109A-F164A 0.235472823023826 A65A-I119A 0.23351439015352 D141A-G148A 0.232552386278637 S73A-T111A 0.23247060352846 S30A-N36A 0.231757707486725 S73A-S82A 0.229254684499018 L71A-T111A 0.227711347986494 I119A-V137A 0.225492051908471 M153A-R161A 0.221474178975401 N36A-G79A 0.221158706139682 M68A-M118A 0.220404093616595 S76A-G83A 0.216627590547617 G143A-V173A 0.216307283360961 W106A-T154A 0.215012098721812 S30A-A38A 0.214691509847589 C169A-P211A 0.214209913742583 R108A-M153A 0.213708746628644 L33A-S76A 0.211222821069621 V46A-M68A 0.21100084591786 G41A-T66A 0.208509828258894 M144A-F164A 0.207612780967855 T66A-I119A 0.20552639769642 C145A-P211A 0.205520662706724 W106A-M153A 0.205299525422024 W112A-G143A 0.204327364866224 S31A-S76A 0.203157290012475 A163A-G220A 0.203033296117667 G143A-F171A 0.202940178882092 T66A-I74A 0.200462694956642 R108A-V146A 0.199643151146866 W162A-G220A 0.196920439409468 A151A-F164A 0.193766888465297 I138A-V175A 0.192607091974121 A166A-A215A 0.191667161403601 S32A-A40A 0.191240947210946 S76A-P117A 0.185546995214009 C145A-R161A 0.185186705789596 I142A-V174A 0.183488004189988 I142A-C169A 0.183091062295268 Y165A-G217A 0.18270314722861 S75A-Y109A 0.181883335277149 S73A-A113A 0.181713920368353 Y77A-S82A 0.181171246189052 R161A-W214A 0.179942016093388 R108A-W214A 0.179893000996301 I212A-V224A 0.179536698024828 T85A-A152A 0.17757672778368 N36A-P70A 0.176804042467428 R108A-D141A 0.17645023988095 R161A-P211A 0.176246096363281 L29A-S82A 0.17561632599726 G148A-F160A 0.173717871266558 T116A-T147A 0.172771477572295 S32A-S75A 0.172002785646558 W112A-T147A 0.170007766322764 G41A-S75A 0.169318529653586 A215A-A222A 0.168788319986534 L202A-G209A 0.168615725494 W112A-Y210A 0.167542893481653 I212A-G220A 0.166927133716984 P211A-L221A 0.166762611842551 V173A-V205A 0.165744533535739 A38A-G79A 0.1656064656735 V205A-V213A 0.165336498930708 V205A-I212A 0.164964550792154 L80A-W112A 0.164423018618831 A40A-S115A 0.163705659873441 I69A-T116A 0.161920127429833 A113A-I142A 0.160822679418516 T66A-L71A 0.159451554009043 T111A-D141A 0.158446268196897 T116A-I142A 0.157236568497971 Q105A-Y210A 0.156822527751407 I44A-A65A 0.15553329179921 W106A-T147A 0.152867707944057 P117A-D141A 0.152572168795903 W34A-S73A 0.151266661135433 A151A-A215A 0.151146581909801 R108A-A151A 0.150715705832586 S168A-W214A 0.149950483087773 L29A-W34A 0.149535491134023 W112A-W214A 0.149394786614604 W34A-S75A 0.149029175265401 A166A-G220A 0.148510713346079 S168A-A215A 0.148452252851484 P211A-E219A 0.148332997815663 G41A-L71A 0.148238114792544 A166A-V174A 0.148000244368546 Y109A-W214A 0.147943672352803 L176A-W207A 0.146526171205287 S30A-L80A 0.145591019401822 S32A-S82A 0.145128367132888 G41A-M68A 0.142261501135961 P70A-P117A 0.140626409098461 G217A-L223A 0.140604721210071 Q105A-A150A 0.140423212857194 V173A-Y210A 0.140345956175093 I69A-T203A 0.139896478553389 S104A-G220A 0.139633305901159 V37A-S76A 0.139414157725695 S104A-T154A 0.137736196485194 G148A-A170A 0.137352815805217 V35A-S76A 0.136819731865102 A140A-I167A 0.135983190177292 T116A-F172A 0.135604313804987 V146A-V174A 0.135441123619084 I74A-T85A 0.135047122208261 S32A-S104A 0.134953991455222 L39A-S75A 0.134206559178404 L120A-L206A 0.133489406879408 P117A-G143A 0.133463561180689 T116A-G148A 0.133343598724512 L149A-G220A 0.132123563138406 Y109A-M118A 0.132054513890975 Y165A-V216A 0.131782256553019 L149A-P211A 0.131770297476519 C145A-F172A 0.131421610028208 F164A-G220A 0.130785825181208 G148A-G220A 0.130764632086414 V35A-L81A 0.12955745306514 T66A-T203A 0.128933063298088 R108A-P211A 0.128388293057043 Y165A-L208A 0.128387186085376 V175A-V205A 0.128174975596512 S104A-W214A 0.128039863218382 S115A-V146A 0.127580783018696 I42A-T66A 0.12743123120209 R108A-M144A 0.127019925121749 A151A-A170A 0.126138423597541 S73A-Y109A 0.126090109318409 L202A-Y210A 0.125691605215717 Y210A-E219A 0.125575816719817 A43A-S115A 0.124891682016846 G143A-A166A 0.124137245329878 I74A-L84A 0.123480730917856 A152A-V213A 0.123461358478105 L176A-T203A 0.123268824285936 M144A-W214A 0.121972504725036 L84A-Y109A 0.121637175617694 L149A-W214A 0.121518471644202 S30A-Q105A 0.12086437789532 A151A-P211A 0.120676502720992 D141A-W207A 0.120340318107852 L28A-L80A 0.119733117886681 Y77A-L114A 0.119378015875454 L39A-L67A 0.119280578668435 T111A-P117A 0.11906471761817 L67A-S75A 0.118723334671335 V86A-R108A 0.118414003369475 V35A-S73A 0.118357554464231 R108A-T116A 0.11726429594214 Y109A-Y210A 0.117234738623458 S104A-V218A 0.117101466701223 Q105A-A151A 0.116978471633168 S73A-L110A 0.115609133406005 A40A-L80A 0.115395966598169 P70A-L114A 0.11533722480179 F160A-G220A 0.115255943366007 L33A-L84A 0.115093069206783 L114A-I142A 0.114458789983038 V137A-A170A 0.114202186052531 A113A-A150A 0.114186902148131 A38A-L78A 0.114139512334273 M144A-W162A 0.113276907986385 A113A-V137A 0.113147959967135 A139A-V173A 0.112879807317775 L71A-G79A 0.11285633741468 L67A-L120A 0.112458855811229 S104A-E219A 0.112235028961383 A139A-S168A 0.112034222355838 T85A-R108A 0.111597900619905 M118A-V175A 0.110502938378811 Y165A-V218A 0.110211387025872 T111A-A150A 0.109942188667592 Y109A-C169A 0.109690948247327 T116A-V146A 0.109160095174998 V86A-V218A 0.109155908459263 W106A-A113A 0.109108842041292 V72A-L110A 0.108999929077275 Q105A-L110A 0.108537576031784 L114A-L149A 0.108347272704743 V218A-V224A 0.108261730878981 A113A-L120A 0.108032705513061 I74A-T116A 0.107380530726472 A38A-L67A 0.107256936625901 C145A-L208A 0.106943327926338 P117A-L176A 0.106920975162982 A150A-G220A 0.106710603294329 L39A-L78A 0.106512631465867 G107A-C145A 0.10633839620157 R108A-A150A 0.105769606955917 R108A-C145A 0.10562849630481 S115A-A139A 0.10537293968957 L84A-G107A 0.105193957566477 L120A-M144A 0.105106869789275 A215A-L221A 0.104816164779676 A152A-Y210A 0.104564455626456 S73A-I119A 0.104214820593299 S76A-C145A 0.104104551722739 L208A-V216A 0.103935410136278 L39A-V72A 0.103770462452021 S76A-M118A 0.103396376198828 M153A-V218A 0.103300506419362 L81A-L110A 0.103085992444296 V37A-G79A 0.103035973016353 S75A-A113A 0.102544856787665 V146A-A163A 0.10226335809921 V137A-L176A 0.102179215321108 V37A-L71A 0.101078721457139 T66A-S73A 0.100624877782702 G107A-G148A 0.100565487339622 A113A-S168A 0.100295790970858 A43A-L67A 0.0996769310626409 S31A-Q105A 0.0994525625853244 L84A-S104A 0.0992494270653297 A40A-T66A 0.099225381082805 L71A-L80A 0.09860066828703 Y109A-E219A 0.0984472587111405 T111A-G148A 0.0975856925203152 L114A-V137A 0.0971091016045549 T116A-G143A 0.0970048261953596 L39A-Y77A 0.0969043111136267 L158A-A222A 0.0967475556011623 T85A-V146A 0.0963211900438772 S168A-Y210A 0.0959470397582014 I74A-W112A 0.0956768436792963 S75A-M118A 0.0953909625662113 L208A-A215A 0.0952279210076461 L114A-A140A 0.0951475383740881 S75A-T111A 0.0951236882940161 Y77A-S115A 0.0950105256398501 V35A-P70A 0.0947061925673824 L120A-V175A 0.094668785254024 L78A-L110A 0.0946428330807216 G209A-G217A 0.0941357315180102 L78A-T111A 0.0940704136498791 I167A-L208A 0.0938017842234385 L80A-L149A 0.0933429893172804 L158A-A166A 0.0928969719653618 S32A-V37A 0.0928654514996454 L110A-D141A 0.0928205342782125 L29A-L78A 0.092364193542755 Y77A-T116A 0.0922813854921021 L67A-L114A 0.091856124761635 L110A-I138A 0.0917846508519301 L208A-V213A 0.0917118271963187 T66A-M118A 0.090695262629132 S73A-Q105A 0.0901816061442133 A152A-I167A 0.0900765986623711 A170A-L208A 0.0900740725916567 I142A-V173A 0.0900693758455598 V48A-I69A 0.0900575304209204 V86A-A150A 0.0900505276526014 S104A-L110A 0.0897856655425751 L158A-A215A 0.089740882238234 I44A-M118A 0.0896856586110504 M153A-L158A 0.0896721519819979 L28A-Q105A 0.0894931604469784 T154A-G220A 0.0893825685989616 A151A-L221A 0.0889504786560424 T147A-W214A 0.088948572861546 P70A-R108A 0.0887872428162111 C145A-A152A 0.0884963226427112 A113A-C169A 0.0884218783631399 V72A-L80A 0.0880916705974912 S30A-S104A 0.0879289543840684 S31A-L78A 0.0878649590065601 A38A-L81A 0.0873781566218625 S104A-A222A 0.0873250116015041 L33A-S75A 0.0872674880654687 A113A-I138A 0.0868746284988307 L149A-L158A 0.0866973955945207 R161A-C169A 0.0866674346516483 L176A-L206A 0.0862242586275228 I119A-L208A 0.0861827833255498 S75A-T116A 0.0858965552555696 S73A-T85A 0.0855731844335669 C145A-F171A 0.0848777108001362 L114A-G143A 0.0848250916047446 N36A-I42A 0.0844119252787747 T154A-S168A 0.0843105661574051 T66A-L120A 0.0841273642763074 S104A-T111A 0.0841158705917381 W112A-I138A 0.0841132823338562 L206A-V213A 0.0837732338022632 S115A-T203A 0.083441720949339 T111A-M144A 0.0833717455546106 Y109A-D141A 0.0830222898534068 M153A-A163A 0.0829220061572234 T116A-S168A 0.0829113475469208 L114A-A139A 0.0828614007614088 S31A-L80A 0.0826802800130757 M144A-A152A 0.0822406633167115 L158A-V218A 0.0819715044434379 M68A-Y77A 0.081871218086762 S73A-C145A 0.0815243340621127 V46A-L71A 0.0815075751103391 I212A-V218A 0.0814752431489429 M144A-A163A 0.0812478353420388 A166A-V175A 0.0810295355163584 L29A-V37A 0.0809438292563263 A38A-S76A 0.0809088693956004 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