[Wed Aug 24 17:27:54 2016] >Input file: TM1VVKATD.pdb >TM segments: 831-48_737-59_X28-46_X54-84_X112-129_X140-158_X169-189_X209-225_X255-276_X294-330 MAIDEN score = -70.2475 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 ----------- ---------------- I67X-T72X 10 D44X-T69X 6.15396302774161 C119X-A148X 5.10328204517697 V259X-C327X 2.26531916819596 I83X-L261X 1.19870912870896 I71X-I147X 1.14233942583398 L70X-I147X 1.12653782484367 M40X-L70X 1.09812409286837 I116X-I152X 1.09744278068911 I39X-H557 1.09523493042246 I310X-H315X 1.02451805616294 E448-I43X 1.00156855602639 P77X-M118X 0.981302506378521 R66X-I71X 0.912714683390099 L73X-E122X 0.901024936692517 Q60X-I67X 0.876919417157501 V124X-I144X 0.821522199499162 Y37X-F173X 0.810092434094829 I43X-L70X 0.795010683109302 I75X-I170X 0.748343875411647 V45X-L70X 0.743743310585165 S115X-I155X 0.74129991101729 D294X-H315X 0.739036110264722 V45X-Q146X 0.704145251317206 E448-D44X 0.694603212223253 P77X-S115X 0.682518135072943 S115X-I152X 0.681043279944095 F183X-I497 0.672690677805525 G41X-I71X 0.668047967302048 L34X-A176X 0.66770417173561 L73X-A123X 0.665061444413552 G188X-V567 0.661169165181225 T61X-Y304X 0.654424577631067 W59X-A267X 0.652669400481133 L73X-I147X 0.641778982084481 F58X-A267X 0.640113391439731 I75X-S151X 0.638267359022255 A262X-M323X 0.631872769065468 L478-Y46X 0.629869376725199 P77X-L114X 0.627369816636067 V338-L157X 0.619294786834113 I78X-K112X 0.612173790610354 I62X-A264X 0.609372181095322 C119X-F149X 0.602219404343662 A81X-M118X 0.58925860489711 A262X-F330X 0.58770760353688 D294X-Y299X 0.587031384246988 T488-V45X 0.578138221457714 P258X-F330X 0.575905809683071 F266X-T302X 0.573381462777732 V127X-I144X 0.553175341801096 Q180X-I497 0.545837104237462 F126X-A275X 0.545323209888906 V33X-L157X 0.544879602312426 L261X-F330X 0.538876766025968 Y46X-V143X 0.538814551746683 R66X-G74X 0.537810426345321 Y299X-A316X 0.525646613467064 F58X-Y304X 0.516586779063125 S65X-G177X 0.511322293625514 F183X-G188X 0.505643508934101 C42X-T69X 0.504030720371398 C42X-H557 0.494699265276848 A64X-F173X 0.489532404771485 F120X-I144X 0.489337096788718 F266X-S301X 0.485574193876093 Q270X-L300X 0.482902258020122 D158X-F173X 0.47929932836416 V79X-L261X 0.477577511309776 I67X-L73X 0.4672313023337 I83X-L265X 0.467026558073179 A64X-I174X 0.449363102582245 Q270X-Y319X 0.448978097684833 G188X-Y527 0.448791586056871 L34X-F173X 0.448766294210529 Y299X-I314X 0.446813229491521 F58X-T302X 0.446191603607814 I348-L157X 0.445227630477249 K112X-I155X 0.441911283640254 V79X-A264X 0.440790095160845 C119X-I152X 0.44040934455251 G74X-S151X 0.435908617947955 F266X-L300X 0.433521256126261 Q180X-L477 0.432590391631345 R66X-L73X 0.429501498359622 Y37X-I71X 0.428198741389029 F38X-G517 0.426250022764398 P77X-I116X 0.425720315372205 L70X-S151X 0.423821988840402 T488-D44X 0.420978821381141 T80X-M118X 0.417574277486285 S65X-I75X 0.417165229686775 I182X-G487 0.415683934767478 V338-Y156X 0.415400242378784 L261X-C327X 0.411863158624609 V45X-G68X 0.407421600620576 F120X-I147X 0.399132816155179 V418-L36X 0.399061052470977 F183X-Y527 0.395051440380456 S255X-V328X 0.394832676665552 L73X-C119X 0.392912867990535 V184X-V567 0.392722282375066 S307X-H315X 0.388986248005905 T63X-I174X 0.385350120997357 P77X-C119X 0.385037832626972 I78X-I155X 0.379567773502962 A263X-M323X 0.37953409223175 V338-I153X 0.379153936603105 A123X-I147X 0.377894560076535 S301X-Y319X 0.377379961459889 I75X-F173X 0.376372143725283 V79X-I260X 0.374983814617754 T80X-L265X 0.373228031204706 V35X-G517 0.367495100946421 A54X-I67X 0.36682567559948 S65X-L73X 0.366762515035089 P258X-C327X 0.366498843843947 A458-I43X 0.365794744031445 I62X-I260X 0.365678130896606 C42X-A587 0.365422333819306 F38X-I547 0.365355868619068 T378-E448 0.361540575168729 L73X-A148X 0.359293196261411 W59X-P303X 0.358677490967072 I62X-I174X 0.353597697782587 L73X-S151X 0.35018423943135 V45X-V143X 0.347366210036002 E57X-T63X 0.346267109221585 A458-D44X 0.344973781272429 T80X-A264X 0.342352101815068 V309X-H315X 0.341856698254145 T63X-L73X 0.341777233444785 G74X-Y156X 0.338989835960144 G41X-S65X 0.338793247676174 V127X-V143X 0.332334924178392 I39X-I547 0.328798585773522 A398-G150X 0.326378895705914 E448-G150X 0.326357790674706 V259X-F330X 0.323466119284619 T378-L36X 0.321560283663987 A264X-S301X 0.320434087453928 A54X-A123X 0.319927866914855 V219X-Y304X 0.316106800986078 C42X-I507 0.314527833603094 V368-Y37X 0.31129321004062 T80X-L261X 0.310817840586913 C119X-F141X 0.307749810340553 A129X-G273X 0.306720631971679 Q180X-H557 0.305853222039647 G74X-G171X 0.305769110056756 E448-Y46X 0.304704524848903 T63X-T72X 0.303833227398799 E448-V45X 0.303107566329329 G76X-A263X 0.302314080484301 S65X-T72X 0.300436945509928 V184X-P189X 0.297868030468989 G273X-S301X 0.297684018790832 V418-I39X 0.295986719082437 A175X-I447 0.295313190369286 V35X-I547 0.293050155016135 G74X-S115X 0.292894309710138 F58X-P303X 0.288187564921689 V259X-A264X 0.287663505047938 I83X-A264X 0.286674692078099 H315X-M323X 0.285090174516235 G31X-L467 0.284320535976371 S179X-S457 0.284280517969464 A64X-I75X 0.283943674817127 G31X-L157X 0.283819906579743 G76X-L114X 0.283760465839352 E57X-F266X 0.283303646652452 L34X-G171X 0.28192631611178 D312X-V318X 0.280671105955931 G82X-L113X 0.28053201059823 A175X-L477 0.27999897948485 A129X-L276X 0.279620930756813 L125X-A275X 0.279252047064098 L300X-Y319X 0.277861823129638 W59X-N268X 0.276937133907549 V368-I153X 0.275907477367251 A64X-A176X 0.272696760152498 A458-A587 0.271398716639736 S179X-L477 0.269393299669835 V418-I43X 0.268528174389425 P212X-G305X 0.267993808386315 C119X-I147X 0.267571582007561 M40X-T69X 0.267296221819866 G82X-L261X 0.264844810173155 Q180X-G185X 0.263591996529172 I39X-A587 0.262787970314267 I348-I32X 0.262778357625931 Y37X-C42X 0.261967449095473 W29X-G169X 0.259190360979557 N268X-S301X 0.258495249381445 V388-L36X 0.255700614520662 S255X-F330X 0.254703948483232 S255X-C327X 0.254120215751762 E448-F149X 0.253516498923007 L34X-L172X 0.252860223979752 G41X-L73X 0.252834592517213 E122X-Q146X 0.252283087271268 C42X-T597 0.251922063311041 S65X-I174X 0.251885051689298 E448-G41X 0.250829575349929 S179X-L467 0.250631792104294 L34X-H557 0.250347259100362 N256X-M323X 0.250206354019595 T378-I153X 0.24898205485475 L157X-G169X 0.248625106408089 T63X-T302X 0.245974551074669 S179X-H557 0.245078901255764 I62X-A263X 0.245011111743839 T63X-L261X 0.242033430653194 Y46X-L142X 0.241886623071212 Q180X-P577 0.241083025810267 G76X-F120X 0.240715227974926 T216X-T407 0.240679354059054 H328-W29X 0.237715351993819 T72X-L154X 0.236116183889011 Q60X-G305X 0.235473994567224 Y156X-F173X 0.235419776120891 V338-V388 0.235222438122742 I83X-A262X 0.235082739732736 P303X-H315X 0.234704672317617 G41X-Q60X 0.23429505392635 F266X-Y304X 0.234108813674076 F38X-G487 0.233906361049085 P258X-T326X 0.231368351429956 A176X-L477 0.230522400368229 D312X-Y319X 0.229454947235935 T30X-L477 0.229417198423027 V79X-I174X 0.227529453223813 Y37X-S65X 0.22694463848279 T181X-P189X 0.226585674501554 G74X-F149X 0.225881154521301 A263X-F330X 0.225799264625729 C119X-S151X 0.225781931043878 A263X-Y319X 0.225130043340116 T488-C42X 0.22459984274255 T407-L477 0.224322832043544 G31X-G487 0.22352928259998 L221X-T407 0.222885965806994 M40X-I71X 0.222364557334053 Y37X-D158X 0.219771789107054 Q270X-P303X 0.219240335322738 D158X-L172X 0.218958098881214 A54X-S65X 0.218879535485692 N256X-M329X 0.218511824917242 P77X-K112X 0.217634443768441 V124X-V143X 0.217422762289248 N256X-L261X 0.216930307385853 Q60X-P303X 0.216755749356697 A262X-S301X 0.216326775715511 V79X-G171X 0.216025632272989 V388-Y156X 0.216009574368325 I468-C42X 0.215370316301747 T63X-T69X 0.21532321002268 P212X-S308X 0.214298354707438 A211X-S307X 0.211921492823095 L36X-G150X 0.211159824712404 L34X-G41X 0.209055143348873 L265X-T302X 0.208893366362808 E122X-A148X 0.208738036832854 E318-V368 0.208373161930422 S301X-S311X 0.208012981629973 F120X-V143X 0.20797748743694 M40X-V567 0.207837651138032 G74X-Q146X 0.206796611408063 V368-M40X 0.206041125453558 G437-I507 0.205382141827072 V259X-L265X 0.205315229240462 T302X-I317X 0.205091314245529 V79X-L265X 0.204308439866572 I75X-L154X 0.204189887698456 C42X-T72X 0.204009986424044 V338-F408 0.203885804149813 E122X-V127X 0.203800332770565 G215X-P303X 0.203703323626748 T488-T597 0.203421300349447 I269X-T326X 0.203397058680949 V418-I153X 0.202921150941458 T378-I147X 0.202764707460552 I428-C42X 0.202402987137625 V45X-T69X 0.202172923583838 L34X-G487 0.20156542433087 T30X-I174X 0.201141413051849 P189X-G517 0.201018259216033 K112X-S151X 0.200045506251814 G169X-I174X 0.200000375814544 T302X-I321X 0.199365229071157 G487-I537 0.198386754106507 T69X-I147X 0.19810853949518 N268X-T302X 0.19787931624915 V121X-I145X 0.197591995318642 I438-T69X 0.197181905875913 C42X-V184X 0.196897096738764 E122X-A267X 0.19644616620346 I260X-T302X 0.195924752369704 L73X-N268X 0.195894672896647 M40X-L157X 0.195672242481827 T61X-I71X 0.194904532912859 G76X-I174X 0.194604600078844 L187X-P212X 0.194502082985819 I468-T597 0.193887009615207 G76X-I116X 0.193450947399922 I62X-G74X 0.193216415229703 V418-M40X 0.19298248102693 S301X-P313X 0.192860192239696 E57X-A64X 0.19232444122893 W59X-Y304X 0.19167283295288 I55X-G68X 0.1914437666418 I182X-G188X 0.19089003696572 V121X-S151X 0.190547513135166 Y46X-Q146X 0.190450681254377 K112X-I117X 0.190097846176728 G150X-I155X 0.189947146428656 G31X-G169X 0.189585524213737 W59X-T80X 0.189533447558273 T378-T30X 0.188637798396537 I71X-S151X 0.188559463300631 C119X-Q146X 0.188306280861644 P189X-H557 0.187380312342886 T488-I43X 0.186725507460318 Y299X-S311X 0.186538454192356 Y37X-Y527 0.18598908594156 G177X-I507 0.185886377893581 Y37X-Y156X 0.185686062941879 I348-V35X 0.184855431709778 K28X-L36X 0.184636409433903 G41X-L70X 0.184378697930747 Y298X-S311X 0.184146223015321 V259X-Y319X 0.183695743145254 V338-L154X 0.183134739932738 P77X-I117X 0.182453615695123 T181X-L477 0.181777577832172 Y304X-Y319X 0.181101129315842 Y298X-M320X 0.180717302843962 K387-L467 0.180442590406548 Y298X-S308X 0.18005240137609 T63X-I155X 0.17973926430907 I324X-M329X 0.179649040898909 L265X-G273X 0.179646113961428 G128X-L271X 0.178904390606568 L172X-G517 0.178515223564626 P303X-P313X 0.178355630542201 T80X-F266X 0.178332294001717 I257X-A264X 0.17831360052094 S65X-H557 0.177261733732726 Y37X-S179X 0.177197679170647 G31X-F173X 0.176453164022021 Q270X-S301X 0.175671113857214 S311X-M320X 0.175395143840483 F38X-H557 0.174970805005135 V33X-L172X 0.174707848454349 Q60X-P77X 0.174704863604889 G273X-Y299X 0.174199323659504 L36X-G74X 0.173748710572047 T61X-T80X 0.172656247393888 H315X-M320X 0.1726186371225 L221X-K387 0.172352505995978 I78X-L114X 0.171975431158779 G169X-G177X 0.171895062982762 I269X-L300X 0.171850451064004 Y298X-S307X 0.171295564804254 G76X-G169X 0.170943098259145 Y37X-G171X 0.170678943437096 F408-V45X 0.169584891788491 Q180X-G437 0.169574985244356 A64X-T69X 0.169549965381535 A297X-Y319X 0.169251046008632 A175X-G517 0.168900775420731 Y37X-G487 0.168794173169992 V178X-V219X 0.168426132992339 G76X-F173X 0.168352341655075 T378-T69X 0.16802338162933 A175X-S457 0.168017037537773 V418-F38X 0.167900069757396 T61X-T216X 0.166714188183484 T63X-I257X 0.165985866365606 G177X-H557 0.165670791742843 L478-M40X 0.164009534957316 T378-Q146X 0.163818167940232 I260X-A267X 0.163558456899764 V45X-L142X 0.163464201011574 I71X-I78X 0.163060463431934 L187X-P577 0.162312821806454 L154X-G171X 0.161915624618565 A148X-I155X 0.161793143048266 G74X-A263X 0.161636831452177 G76X-A175X 0.161636831452177 A81X-G169X 0.161636831452177 G171X-A264X 0.161636831452177 A398-G41X 0.161636831452177 I43X-I547 0.16159568361715 W59X-I269X 0.161516464190528 G41X-T63X 0.161299226372701 G68X-A123X 0.160543871396645 A186X-S457 0.160406718107451 A211X-V219X 0.160288721817937 I71X-I174X 0.159988250154855 G68X-C119X 0.159791061036761 I83X-I269X 0.159312680746587 R66X-E122X 0.159256701202273 T80X-T326X 0.15921501816349 G41X-L154X 0.158184079305315 W29X-L157X 0.15806788673378 V33X-D158X 0.158042718864513 I84X-A262X 0.157254238845683 A297X-V309X 0.156998830998369 A176X-G517 0.156483762149279 G41X-Y527 0.156432150401576 I310X-I317X 0.156161582175298 G185X-G305X 0.156055129092426 F173X-H557 0.155940873129024 A54X-V124X 0.155328059186007 M40X-Y46X 0.155106087022694 T378-L157X 0.154160337130507 V418-A587 0.153958183864448 I71X-M118X 0.153791392335686 Q60X-L73X 0.153744419080551 F58X-F266X 0.152929084589568 Q270X-A297X 0.152827379845509 I468-I39X 0.15275788086185 E57X-Y304X 0.152699711504168 Y46X-A140X 0.152303108065692 F56X-F266X 0.151934082365873 V259X-V328X 0.151756170680619 Y298X-Y304X 0.151700114348753 T488-G68X 0.150958269305792 S255X-A263X 0.150793977152615 I75X-I257X 0.150408086488062 G128X-A140X 0.150238100103087 A263X-I321X 0.150061509853396 A398-I43X 0.149964973618294 I174X-A264X 0.149929841851855 S307X-M320X 0.149633647616241 C42X-I147X 0.149474056726067 L187X-G517 0.14943449210592 L125X-W272X 0.149361771162649 T72X-T80X 0.148896355610983 V124X-I145X 0.148777105667468 D294X-I314X 0.148717563413754 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