[Wed Aug 24 23:59:25 2016] >Input file: TM3SZDATG.pdb >TM segments: B16-21_B42-48_B63-68_B95-101_B153-161_B178-186_B225-242_B389-395 MAIDEN score = 12.7492 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 ----------- ---------------- T18B-P393B 3.69184808611266 D47B-L64B 1.23613334806857 N21B-V390B 1.1917572584814 L17B-L394B 1.17692607447751 I45B-L66B 1.14252504325751 L17B-I45B 1.12317261908169 L46B-L64B 1.02671824171244 T18B-I45B 1.01886896892358 F155B-F182B 0.943204248003255 A48B-V63B 0.912412047663661 L66B-L98B 0.903713503115414 R20B-I389B 0.870607555413365 L66B-R97B 0.819572002810229 F44B-L66B 0.780093235831071 I45B-L64B 0.75909027339333 L46B-L66B 0.749206404116118 L64B-L98B 0.675912175827675 A19B-V390B 0.632814307215852 I45B-Y67B 0.627183878011576 F44B-S68B 0.597211305745426 L17B-P393B 0.594753246655932 V63B-V100B 0.572116914361558 L64B-R97B 0.556760767368353 A19B-P393B 0.551348485748498 G157B-R181B 0.5470487363262 S16B-I45B 0.533796770810939 L64B-V100B 0.532215839456508 Y67B-F95B 0.52277143489489 V63B-L98B 0.520525313464278 L64B-A99B 0.515821449027573 S43B-L66B 0.495629364210035 F155B-D180B 0.474225746753968 L17B-F44B 0.429720385801045 L17B-S395B 0.426406063081821 Y67B-G96B 0.405950150819463 L17B-L46B 0.379708132560141 A48B-L64B 0.363144514358129 R97B-N158B 0.344960785925985 S68B-G96B 0.338449884007701 S68B-F95B 0.331040459935346 G65B-A101B 0.325906694614798 F44B-G65B 0.323246810473908 T18B-S391B 0.32252801834069 T18B-L46B 0.318275347243706 Q42B-Y67B 0.30357901235096 A19B-L394B 0.300129382283059 A19B-Q42B 0.295190519307748 L66B-A99B 0.289391862565768 A19B-S395B 0.276391009036191 Q42B-P393B 0.258277531911892 T18B-D47B 0.256028043720708 L46B-V63B 0.254438623571664 D47B-L66B 0.253652680114606 L17B-Y392B 0.248425103534082 G65B-F95B 0.244248141935564 R20B-P393B 0.2407604719978 D183B-D238B 0.240345625935589 Q154B-S179B 0.231263266306079 R156B-F182B 0.231043135554243 S16B-L394B 0.230173871779501 R20B-I45B 0.229825641332591 S16B-L46B 0.226122387403983 Q154B-G186B 0.224365975116901 R20B-F44B 0.223692744946434 D47B-Y67B 0.223163156451988 Y67B-A99B 0.222506045064992 S68B-S159B 0.221877207115281 F182B-A239B 0.218421170053654 L17B-A48B 0.215813264702225 S179B-A239B 0.209033026967237 I45B-R97B 0.19877930689028 Q42B-R97B 0.197073424421686 T18B-L64B 0.196732374375648 P160B-S179B 0.192260088678631 G65B-P393B 0.190641000835351 Y67B-P160B 0.189696904484316 G157B-D180B 0.178302254068154 D183B-R237B 0.177414461794105 A19B-G65B 0.17576408253375 R97B-P160B 0.175395742367291 F155B-R181B 0.174060682443899 R181B-D238B 0.17062515629667 G153B-A185B 0.16642332885313 A185B-G236B 0.166051844765337 A19B-D47B 0.162696467744068 S43B-L64B 0.162158720715973 A19B-F44B 0.162122285184282 N158B-S179B 0.161025358287889 S43B-R97B 0.160135969955727 S43B-R161B 0.153322292185971 A19B-I45B 0.150007981187217 R181B-A239B 0.149169498402593 N21B-I45B 0.146931035451947 A99B-R161B 0.146542520464128 T178B-G240B 0.143706194226046 Q154B-R181B 0.139956684283048 Q42B-G96B 0.133336233422861 L66B-F95B 0.132520862305777 D47B-A101B 0.132240016753805 L17B-V63B 0.127740122101906 L46B-V100B 0.122742609452731 L46B-S391B 0.118223193349275 A101B-S159B 0.115508898025552 V63B-G96B 0.114435059063898 R156B-T178B 0.113942850443885 S43B-P393B 0.111988795798689 L46B-S68B 0.107017190008798 D183B-A239B 0.105272576078497 A48B-L66B 0.102462825214242 S16B-A99B 0.100972357269071 L66B-L394B 0.100799046942791 L17B-Y67B 0.097889766721929 I45B-S395B 0.0960717763812262 L17B-L98B 0.0935996805712471 G96B-S159B 0.0930780710705683 F155B-A185B 0.0924305109124681 Y67B-P393B 0.0909705197325175 N21B-I389B 0.0887114697397546 F44B-S395B 0.0886070227974347 S159B-D180B 0.0881018650866834 S159B-T178B 0.0860187918668306 V100B-G157B 0.0852892890113539 A48B-L98B 0.082648722179882 A185B-F234B 0.0809579449887519 A48B-L394B 0.0808707993138409 L64B-R161B 0.0808678572550097 G236B-A242B 0.0804234905968104 A48B-P393B 0.079953168756008 T18B-S68B 0.0786576204851772 L46B-G96B 0.0785189996400177 T18B-I389B 0.0761433112375389 S16B-P393B 0.0758684236330849 N21B-P393B 0.0757265896388715 Q42B-Y392B 0.074409297693821 T178B-S241B 0.0742101295407207 L64B-P160B 0.0739360810621013 R20B-G65B 0.0722548570254711 G65B-R161B 0.0712959716125194 S68B-R161B 0.0706607241362756 R156B-S179B 0.0701457379643222 L98B-S159B 0.0690620398207575 Q42B-R161B 0.0687375608808428 F44B-A99B 0.0662309540075716 L46B-A101B 0.0656421689442881 S179B-G240B 0.0655318754532672 G186B-G232B 0.0654386941482672 L64B-S159B 0.0651628659333738 L98B-R161B 0.0640077940462387 F184B-G236B 0.0634217642583201 I45B-G96B 0.0628602057691179 G65B-A99B 0.0617384337314819 G157B-T178B 0.0616660905561508 N158B-F184B 0.0611974648486333 G153B-D183B 0.0558335378487502 T178B-D238B 0.0558018359724031 A19B-F95B 0.0552253076626794 F44B-I389B 0.0551978504695983 F155B-T178B 0.0545340275056301 A99B-N158B 0.0545183830432667 R97B-R161B 0.0544379171699734 T18B-S43B 0.0542125551016355 F184B-A239B 0.0533242598798092 Q42B-G65B 0.0530770098083568 A19B-L64B 0.0515273297109655 L66B-S159B 0.0507615470572675 L46B-L394B 0.0479673606946 G186B-G233B 0.0454884951675081 N21B-Y67B 0.0450724995546574 S179B-D238B 0.0440082419288773 G65B-S395B 0.0407027544548466 G186B-F234B 0.0396404728838569 Q154B-S159B 0.0376432431091467 S16B-S43B 0.036978947187758 T18B-F44B 0.0338865737551532 L17B-S68B 0.0336541995790398 T18B-R97B 0.0335546721169493 S159B-S179B 0.0317862570045975 N21B-S391B 0.0308583969906607 T178B-D183B 0.0303393781981576 S16B-L66B 0.0300484778390899 S68B-L98B 0.0299248484762989 N21B-S43B 0.0282620052761308 F44B-V63B 0.0272765425016244 A99B-P160B 0.0269794666173544 G96B-N158B 0.0237731632522711 S159B-F182B 0.021842091971159 G153B-N158B 0.0206698833827312 F155B-P160B 0.0195393082447399 D47B-S68B 0.018867338861624 G65B-L394B 0.0185677198506822 F182B-D238B 0.0180698179160745 D180B-S241B 0.0179269505078008 R20B-R161B 0.0171342724768344 I45B-V100B 0.0160387579895995 S43B-F95B 0.0155270433387997 I45B-A99B 0.015272983127435 A101B-G157B 0.0142139888121173 V100B-S159B 0.0134026436540711 T18B-S395B 0.0110679292287177 L66B-V100B 0.0103962684632126 L17B-G65B 0.0100412599254955 I45B-R161B 0.00983965524371566 D47B-S391B 0.0088547576143603 Y67B-Y392B 0.00774111203002104 N21B-Y392B 0.0075494691979423 N158B-D180B 0.0066690247080321 R181B-G240B 0.00607127688426012 G96B-P160B 0.00563069649228365 A19B-G96B 0.0052286428149142 G157B-D183B 0.00495013940773198 Q154B-F184B 0.00469024783680172 T18B-L98B 0.00437879824753273 S68B-S391B 0.00329082627654109 T18B-V63B 0.00285492734737469 G65B-S159B 0.00222712954021898 G96B-R161B 0.000643849721461365 Y67B-L98B -0.000321449601054624 F95B-P160B -0.00073728330212397 F44B-R161B -0.00526684727182403 T18B-A48B -0.00540998666689063 D47B-R97B -0.0057921510300325 A99B-G157B -0.00607736866104691 L66B-G96B -0.00801049649314078 Q42B-L66B -0.0103194832818128 R156B-F184B -0.0104024359190761 D47B-G65B -0.0131013200796599 L98B-G157B -0.0136286367675282 R20B-L46B -0.0153985161843826 G65B-R97B -0.017835794673344 F182B-S241B -0.0180579614693265 N21B-F44B -0.0189060529359062 D180B-G240B -0.0199823756129457 G65B-L98B -0.0204654568853191 L64B-L394B -0.020783203467893 S68B-A99B -0.0219723312580911 R20B-L394B -0.0220469856585463 F44B-S391B -0.0225896191943717 I45B-P393B -0.0242733768533553 L66B-P160B -0.0244764606582821 T18B-G65B -0.0246641088499007 T18B-L394B -0.0251614491430932 V63B-A101B -0.0253697029828599 F44B-G96B -0.026903004776222 D180B-A239B -0.027640798948803 I45B-V390B -0.0293834023348167 A101B-Q154B -0.0312462210424158 Y67B-R161B -0.0314253965366262 Q42B-S391B -0.0318047758696972 L17B-D47B -0.0352576810920233 Q42B-I389B -0.0352776936208663 A101B-G153B -0.0367848451556068 L46B-G65B -0.0368393533288948 S16B-A48B -0.0374605568000406 D47B-Y392B -0.0397824034187182 T18B-G96B -0.0407152601812171 S68B-Y392B -0.0407890385600025 S16B-L98B -0.0413956282496679 F155B-G186B -0.0425079432801669 S159B-R181B -0.044905138371436 Q154B-D180B -0.047362657755605 F182B-G240B -0.0485983701261954 L66B-A101B -0.0497294348571238 V100B-N158B -0.049765866692618 S179B-F184B -0.0523104033858655 V63B-A99B -0.0536231163289074 F95B-S159B -0.0539232540688492 P160B-D180B -0.0542532827208362 L64B-F95B -0.0550558852571896 T178B-A239B -0.0551275170752281 R181B-S241B -0.0552175820558219 A101B-N158B -0.0556041284325455 L17B-Q42B -0.0561547369592779 Q154B-A185B -0.0563153249866815 D183B-G240B -0.0567428996943913 G157B-F184B -0.0571383260156892 R20B-G96B -0.0582718691976023 S179B-S241B -0.0595135782974041 F182B-G236B -0.0595603586941991 N21B-F95B -0.0596357030097892 A48B-Y67B -0.0608221518165903 Y67B-S159B -0.0621262740761104 S16B-S391B -0.0635648129202508 N21B-L66B -0.0655681937678008 N21B-L46B -0.0661337512439717 R97B-G157B -0.0663372244311997 Y67B-S391B -0.0665871171025794 S16B-F44B -0.0672334722231824 N158B-F182B -0.0677367040623534 R20B-L64B -0.0686727750884066 R20B-L66B -0.0695126060809947 L17B-G96B -0.0697533564478405 V63B-S395B -0.0707517570481424 R237B-A242B -0.0708999412608287 F44B-R97B -0.0721716345943184 S16B-Y392B -0.0730688775762742 F184B-R237B -0.0749416325570312 A19B-A48B -0.0759597754197207 N158B-T178B -0.0766648465316244 L46B-Y67B -0.0771501558940519 Y67B-V100B -0.077730915787522 R20B-S395B -0.0790330657208029 L17B-R97B -0.0792844292629904 S16B-Y67B -0.079597705972831 F155B-S179B -0.0811237168785413 D183B-G236B -0.083558113208686 R20B-Y67B -0.0859364018362272 R97B-S159B -0.0869984330819338 L46B-L98B -0.0875613943494606 S43B-L98B -0.0878079331760899 S68B-I389B -0.0880208541076397 S43B-L394B -0.0894143026973246 R156B-D183B -0.0903121466580008 G186B-R235B -0.0904883168322712 D47B-S395B -0.0906691317255415 L46B-Y392B -0.0910210245354854 S43B-S391B -0.0912922942600725 T178B-A242B -0.0917147107048089 S68B-R97B -0.092106921849781 I45B-F95B -0.0941266138597041 L17B-V390B -0.0945497998942537 G153B-G186B -0.0961640660420473 F44B-V390B -0.0968441989198416 T18B-Y67B -0.0972221716867678 A101B-F155B -0.0975027535866353 S43B-I389B -0.098872465133713 L64B-G96B -0.101717053380916 S68B-V390B -0.103428669018351 F44B-L98B -0.104767460538072 R20B-S68B -0.107252524341872 F182B-R237B -0.108203197704598 L66B-S391B -0.10894635484695 R20B-D47B -0.110624494554996 F44B-L64B -0.11076936910348 F44B-Y67B -0.111686082508374 N21B-L394B -0.113175289202979 A48B-A101B -0.116353205351201 R181B-A242B -0.116458465663069 V100B-F155B -0.117304585266817 L17B-A99B -0.117733539207075 F44B-F95B -0.118508145563812 L66B-Y392B -0.123026097526699 D47B-G96B -0.124583126106011 G157B-S179B -0.124610176612961 S43B-G96B -0.125788368817026 L64B-P393B -0.125877380537432 A19B-L46B -0.126412686991893 L46B-F95B -0.128484000248809 A19B-Y67B -0.129248843634617 D180B-A242B -0.130738447007734 G153B-D180B -0.134886456805437 A19B-S43B -0.138230801629936 F182B-A242B -0.139826685050574 L98B-P160B -0.141368821938919 F184B-R235B -0.144031254799961 R20B-F95B -0.144335041424141 L66B-P393B -0.146361223598521 A48B-S395B -0.146560701099913 S43B-G65B -0.148972360658481 I45B-S391B -0.150739480212855 L64B-N158B -0.151028272606746 G65B-G96B -0.151708402134788 S16B-G65B -0.152566785360243 I45B-G65B -0.153373075866731 V63B-R97B -0.157769907430207 V100B-R156B -0.1601307685416 N158B-D183B -0.160668180299426 F44B-L394B -0.163580822653494 I45B-Y392B -0.164303161271543 A99B-R156B -0.165603288015154 I45B-I389B -0.165783960213568 S179B-A242B -0.168159267092595 L98B-N158B -0.168938510575771 L64B-S395B -0.169053577788467 S68B-P160B -0.17019472622498 A99B-F155B -0.170422238500743 A101B-R156B -0.170868787392511 F44B-Y392B -0.174792140166524 G65B-V100B -0.175943257480871 A48B-A99B -0.176707060483583 N158B-R181B -0.179168250372356 T18B-V390B -0.182355624502575 Q42B-F95B -0.18278359190001 F155B-D183B -0.185989463349626 A48B-R97B -0.18839051564419 L17B-S43B -0.191615539155631 Q42B-V390B -0.196083372679583 A99B-S159B -0.196710376757454 I45B-S68B -0.199441965068066 A19B-S68B -0.205040241390515 G153B-R181B -0.205927661083061 T18B-Q42B -0.208203220818599 D47B-V100B -0.208761431143516 L46B-R97B -0.210040282137037 L17B-S391B -0.210542738815441 G157B-F182B -0.215590501619374 F184B-F234B -0.217186145157077 Q154B-D183B -0.217921792540477 L66B-R161B -0.224948702300659 F95B-R161B -0.225658787107716 F155B-F184B -0.229469771011725 P160B-T178B -0.229960235297106 D47B-A99B -0.230907955625127 G153B-F182B -0.253471515705563 F44B-P393B -0.254905550321697 L64B-A101B -0.256013151270634 S16B-D47B -0.25782802357656 A19B-L66B -0.268393821129061 S43B-V390B -0.269154630601976 A19B-I389B -0.288809795239248 T18B-L66B -0.291939661487172 D47B-L394B -0.294896050469996 L46B-A99B -0.301661023655702 D47B-L98B -0.304151583891143 S43B-Y392B -0.305973272562612 N21B-S68B -0.32299253862546 A48B-V100B -0.325826892930775 S16B-L64B -0.325864963575572 L46B-S395B -0.328217447849591 S43B-S68B -0.329390519392047 S16B-V63B -0.333029086875051 I45B-V63B -0.338822072484655 G153B-F184B -0.359050495555212 R156B-R181B -0.364733160582338 A19B-Y392B -0.367747403049963 I45B-L98B -0.373589791486861 I45B-L394B -0.378876363254898 A48B-G65B -0.387854271909651 D47B-P393B -0.420189780154986 L17B-L64B -0.423618547752334 N21B-Q42B -0.432665267252593 A19B-S391B -0.446770356213807 L17B-L66B -0.449941550017327 L46B-P393B -0.471892561000203 Q154B-F182B -0.475894809615117 R20B-Q42B -0.481045304573187 R20B-S391B -0.497264263248686 S16B-S395B -0.504851878785138 D47B-V63B -0.505839098246098 Q42B-S68B -0.573329738212971 R20B-S43B -0.592377171508933 Y67B-R97B -0.608259820852198 R20B-Y392B -0.629284212954484 T18B-Y392B -0.652887858328552 R156B-D180B -0.663868722917294 S43B-Y67B -0.70706498118158 R20B-V390B -0.749757868761654