[Wed Aug 24 17:45:49 2016] >Input file: TM3H90ATD.pdb >TM segments: A85-107_A115-133_A149-171_A175-195_C85-107_C110-133_C150-172_C175-195 MAIDEN score = -43.6815 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 ----------- ---------------- L170C-R177C 1.81135967817745 L170A-R177A 1.79883934009397 F98A-L184A 0.928635574656749 F98C-L184C 0.916189422357265 D179C-L184C 0.894209413199419 L105C-D179C 0.893974832021529 D179A-L184A 0.893840228256066 L105A-D179A 0.893759646688506 I90A-H153A 0.877516542862542 G101C-L184C 0.877192654941764 I90C-H153C 0.866972052597217 G101A-L184A 0.864400410482569 L125C-D157C 0.817217139526235 L125A-D157A 0.81593079979356 I102A-L184A 0.810926275970276 I102C-L184C 0.810897079046531 I129A-V158A 0.793378582310795 I129C-V158C 0.789789463615395 L95A-L191A 0.765627603177113 L95C-L191C 0.758229761867377 S156C-I186C 0.754201131579542 S156A-I186A 0.751814896156957 S91A-L191A 0.739395181623669 S91C-L191C 0.733459260803511 L165C-L170C 0.725417034533796 L165A-L170A 0.725280573310982 L97A-L184A 0.68567285659895 L97C-L184C 0.684812099818695 F98A-A183A 0.662948473664967 M159A-I186A 0.659818068305263 L125A-V158A 0.658329143823607 F98C-A183C 0.658014274062574 M159C-I186C 0.654535234747049 M88A-A194A 0.645404079457315 M88C-A194C 0.644915891364412 L125C-V158C 0.643061002554671 F98C-G185C 0.627276060715408 F98A-G185A 0.62564180522396 A124C-V158C 0.619671545517806 V132C-M151C 0.613054050498521 V132A-M151A 0.610208638704668 H104C-P110C 0.590643632013025 P110C-D179C 0.588149967940306 V118A-G162A 0.581894053108496 V118C-G162C 0.570392891978327 L152C-A194C 0.568490383778697 L152A-A194A 0.568214828254711 A124A-V158A 0.563693572573566 H104C-D179C 0.538163890552681 H104A-D179A 0.530347091961213 Q86A-D150A 0.512991627393458 Q86C-D150C 0.509080471470927 T100C-A183C 0.494763417193923 T100A-A183A 0.493573022146524 I90C-L191C 0.478339512234079 I90A-L191A 0.476123114962384 T121C-M160C 0.476077878335839 Q155C-Y192C 0.474754555736643 Q155A-Y192A 0.474680899703188 T121A-M160A 0.472307836378435 Q86C-H153C 0.463983534266357 A94C-I188C 0.453054552617194 Q86A-H153A 0.452856505066767 S91A-I190A 0.44982398125482 A94A-I188A 0.442143239105962 L131A-Y154A 0.438463232829026 L131C-Y154C 0.437674865407743 M88A-L195A 0.435063335471169 M88C-L195C 0.421229201259845 H153C-M160C 0.419032812575662 H153A-M160A 0.41894094295567 S91C-I190C 0.417598021958902 S91A-L195A 0.417179818187328 S91C-L195C 0.412922517824167 H104A-H176A 0.406777859334731 H104C-H176C 0.406772308615005 L95C-I188C 0.405995713450434 L95A-I188A 0.403997735995801 S107A-H176A 0.397050750972292 S107C-H176C 0.397012080738861 L105C-A178C 0.395482719948301 L105A-A178A 0.392337002482889 A94C-I190C 0.386916726582953 A94A-I190A 0.385782901536494 S91A-Y192A 0.373964095386074 A94A-L191A 0.373885301965325 A94C-L191C 0.372117322950274 L152C-S193C 0.370550657127215 S91C-Y192C 0.37051349076768 I90C-A194C 0.370423097319762 I106C-M111C 0.368849757544033 A163C-A178C 0.368085451164884 I90A-A194A 0.36753083822145 A163A-A178A 0.366578072113844 L152A-S193A 0.366168860488663 T128C-D157C 0.365494689082317 T128A-D157A 0.364558601309533 G169A-R177A 0.363380358685032 G92C-Y189C 0.358647257413875 L97A-A183A 0.356348701169373 L97C-A183C 0.3560509387603 I164A-G169A 0.355383328212804 I164C-G169C 0.354674625577864 V132A-V158A 0.354288776627062 G169C-R177C 0.353755552598771 F98A-I186A 0.352380785416987 G92A-Y189A 0.352057885908536 F98C-I186C 0.345364355930937 V132C-V158C 0.34500461708639 Q103C-P110C 0.344794465364096 L170C-H176C 0.343937118468516 L170A-H176A 0.342884455932254 L125A-M160A 0.339700401468614 I106C-A178C 0.339637905261924 G101C-L181C 0.338810450259467 I106A-A178A 0.337949716593016 V116C-M160C 0.336433635386711 V116A-M160A 0.336433635386711 L125C-M160C 0.333222617675023 F98A-I188A 0.332775761664359 F98C-I188C 0.332314647681238 G101A-L181A 0.331689255931422 T100C-L184C 0.327731601976276 T100A-L184A 0.323043136351818 V118C-M159C 0.319065810525982 V118A-M159A 0.316909012041409 V158A-Y189A 0.312643178235716 I90A-L152A 0.301988773810878 L99A-L184A 0.301728877628575 L99C-L184C 0.301326390992666 A124C-D157C 0.298531064536736 G115C-G169C 0.298286555464613 V158C-Y189C 0.297750417442471 L105C-R177C 0.297689606798802 G115A-G169A 0.296170284633456 H104A-A180A 0.29530492265861 H104C-A180C 0.295101491139168 L105A-R177A 0.293685235136435 A124A-D157A 0.293133484724295 Q103C-A180C 0.291645541994375 Q103A-A180A 0.287108688850389 I90C-L152C 0.283933030428542 I90A-I190A 0.279683670297202 I90C-I190C 0.273582426465321 I102A-A180A 0.270369451591897 S156C-G185C 0.266970891067364 Q103C-M111C 0.262643167783304 S156A-G185A 0.261482994547054 I164C-D179C 0.259634095826861 P110C-R177C 0.258546436895033 I164A-D179A 0.25722238802881 I102C-A180C 0.253454243432818 H153A-Y192A 0.25262350977241 Q103C-G187C 0.251177425699088 H153C-Y192C 0.250957066330277 Q103A-G187A 0.250341649575486 G169A-D179A 0.247017599947486 V120C-D157C 0.246967605900075 V120A-D157A 0.244539069580161 G169C-D179C 0.244103949164157 D150C-V158C 0.239542262375521 L105C-A180C 0.238976410008164 L131C-H153C 0.238051100014074 I122A-G162A 0.237652013182508 L131A-H153A 0.236655875785222 L105A-A180A 0.235761781134925 L95C-G187C 0.234418408222524 L95A-G187A 0.233995907057304 G115C-N161C 0.232049080724109 G115A-N161A 0.231770628605553 Q86A-A194A 0.23082047639905 N161A-G169A 0.230599984283391 N161C-G169C 0.230393519996487 D150A-V158A 0.229656316776303 G101A-D179A 0.229452221832108 G101C-D179C 0.229006699336066 D113C-G169C 0.225920191364548 I164C-A178C 0.222457185179117 L152A-D157A 0.219396531937002 A149A-A194A 0.217929118209453 G115C-I164C 0.217348475615434 I164A-A178A 0.217262743343428 Q86C-A194C 0.216378751207329 F89A-Y192A 0.216065569385105 I119C-C127C 0.215763464344019 I119A-C127A 0.215150202325155 F89C-Y192C 0.21467422204806 G115A-I164A 0.213419998253348 L152C-D157C 0.213054678108991 Q155A-G187A 0.212618601747015 T128A-V158A 0.211390148366835 M111C-R177C 0.210863132748166 T128C-V158C 0.209507547419036 Q155C-G187C 0.208510451634805 F96C-Y192C 0.207056854675121 F96A-Y192A 0.206918504844489 N161A-L184A 0.205489435706768 V123C-M159C 0.204665608519059 N161C-L184C 0.203106137249081 L131C-M159C 0.202950600090009 V123A-M159A 0.202662279977663 L131A-M159A 0.202641308023289 M160C-L181C 0.202347878208031 M160A-L181A 0.20224973500872 M111C-L166C 0.202196152382587 S87A-L195A 0.200943756461975 L170A-D179A 0.198587891192577 N161A-G185A 0.196477162288333 A149A-S156A 0.196306477107553 N161C-G185C 0.196254228674993 T112C-G117C 0.195644638661332 L170C-D179C 0.194833318790757 I119C-G162C 0.193756028049806 T100C-A180C 0.192295230977159 I106A-W175A 0.191784553522177 V132A-M160A 0.190694784520065 G92C-L191C 0.18990765920124 G92A-L191A 0.189780869012431 I106C-W175C 0.189731972018814 S87C-L195C 0.189007960447527 V132C-M160C 0.188231117538516 I119A-G162A 0.187232171121658 V116C-G162C 0.186660939379522 V118A-I164A 0.186579299709704 V118C-I164C 0.186115468394744 S93A-M151A 0.185978536066611 S93C-M151C 0.185859933946971 Y154C-S193C 0.18532108826609 Y154A-S193A 0.183247393421362 V116A-G162A 0.181904946227745 Q86C-S193C 0.181840575164748 S93C-M160C 0.181639400845548 S93A-M160A 0.18126278442656 T100C-T112C 0.179443389286746 G101C-L191C 0.178343035482008 S156A-I190A 0.1781633367124 G101A-L191A 0.178031727012477 M111C-G169C 0.17782197139394 T112C-A163C 0.177312325846576 S91C-Y154C 0.176898859390215 C127C-Q155C 0.176396877187676 Q86A-S193A 0.176241140710825 S91A-Y154A 0.175701942203233 C127A-Q155A 0.175551523873341 G92C-L152C 0.175120463154657 S156C-I190C 0.173736860151929 L95C-G185C 0.171293091475196 I122C-G162C 0.171110468100545 M159C-L191C 0.168949417130838 L95A-G185A 0.168900693019145 M159A-L191A 0.168083407090282 S93A-A183A 0.167584862727098 S93C-A183C 0.167061894274822 G92A-L152A 0.166998913240994 A85A-G92C 0.166663109397806 T100A-A180A 0.166333817194024 D113C-V118C 0.164456820205565 G92A-A85C 0.164284196466463 H153A-Y189A 0.164233402819552 I126C-G162C 0.163690362104866 H153C-Y189C 0.163132396686031 L152A-G187A 0.162535069597022 V120A-V158A 0.162121044260175 G115C-A178C 0.161636831452177 R177A-A183A 0.161154450316241 S107C-R177C 0.160895391384269 S87A-Y154A 0.160167939785957 G162A-D179A 0.160092737504411 R177C-A183C 0.159920187637111 S107A-R177A 0.159456492494303 G92C-H153C 0.158745812264323 D150C-M159C 0.158312639763794 T128C-D150C 0.158297340760569 G92A-H153A 0.158283419870623 T128A-D150A 0.158203740757466 V120C-V158C 0.15764747863139 P110C-L181C 0.157595784827269 L152C-G187C 0.157083614767742 L97A-I186A 0.157037993095237 L97C-I186C 0.156193018704772 M88C-S156C 0.155059267521466 T112C-A183C 0.154794233712937 A94C-D157C 0.153898011188121 A94A-D157A 0.153527978047392 G101A-I186A 0.153247826558444 G101C-I186C 0.153171031968496 S87A-M88C 0.152364262954333 L152A-I190A 0.152005092847552 D150A-M159A 0.151964187325486 M88A-S156A 0.151078171644749 A85A-G92A 0.150221916233614 I126A-A163A 0.150127513486021 I126C-A163C 0.150062722849176 A85C-G92C 0.149911343771656 L152C-I190C 0.149893939947479 L97A-Q103A 0.149708925557819 M88A-S87C 0.149668910256213 I106A-D179A 0.14928709490105 L97C-Q103C 0.149102107914322 I106C-D179C 0.148833445118525 L125C-N161C 0.14859734111172 G92A-S193A 0.148566101564402 P114C-L166C 0.147604027661097 G92C-S193C 0.146443249170089 G162C-D179C 0.145964345687561 F98C-S193C 0.144693477487007 L125A-N161A 0.144673938903889 F98A-S193A 0.143742920350005 G101C-Y189C 0.143493076663395 A167C-R177C 0.143345042467766 L99A-Y189A 0.143310023592071 T112C-T121C 0.142795907106295 L99C-Y189C 0.142768299536284 M88C-Y154C 0.141671605031435 A167A-R177A 0.141511661107787 H104A-G185A 0.141273138958448 H104C-G185C 0.141156324077961 G101A-Y189A 0.140871061878046 M88A-Y154A 0.138992876273828 M151C-Y189C 0.138497152728314 M88C-Y189C 0.138466245439759 S87C-Y154C 0.138189760329098 M151A-Y189A 0.138124480997246 M88A-Y189A 0.138104743553195 L152C-I188C 0.136757691354628 V123C-A163C 0.136529852650862 Y154A-Y189A 0.13610701018333 L152A-I188A 0.135900071011629 Y154C-Y189C 0.135413319165741 I90A-D150A 0.134403005220323 I90C-D150C 0.132853940645893 G92C-T100C 0.132767392282064 L168C-W175C 0.13186306855478 I102C-A178C 0.131640930574775 G92A-T100A 0.131573387722562 D113C-A178C 0.13119922618761 C127C-S156C 0.131108240397253 L168A-W175A 0.130001344234024 C127A-S156A 0.129784261377467 I102A-A178A 0.129248611944441 S156C-N161C 0.129028429047858 S87A-L191A 0.127211299804479 S87A-Y189A 0.126200100827295 I186A-L195A 0.125646379984781 I129C-D157C 0.125393030609875 T112C-G169C 0.125369442297122 F96C-Y189C 0.12471374136018 S87C-L191C 0.124641329872567 G92C-I186C 0.12415544368995 G115A-I122A 0.123938583203854 G92A-I186A 0.123909001430325 S87C-Y189C 0.12379372311277 G115C-I122C 0.123764039588214 V123A-A163A 0.123677215538834 I190C-L195C 0.123661910711981 G101A-I190A 0.123466004765562 G101C-I190C 0.123326693031821 L125A-M159A 0.123049884897039 A163C-S171C 0.122769312326288 I129A-D157A 0.122608985402682 S156A-N161A 0.122269830843666 L125C-M159C 0.12189794738946 S133A-M159A 0.121296842117584 S171A-D179A 0.121039445290072 A163A-S171A 0.120390327650007 S171C-D179C 0.120362430948503 A94C-I186C 0.119593754319526 G162A-F182A 0.119522898571526 M160C-Y189C 0.11940540934087 I126A-G162A 0.11926952265368 G162C-F182C 0.119106490731991 S133C-M159C 0.118924779402585 I186C-L195C 0.118634629440064 L105C-L181C 0.118391329419412 P110C-G169C 0.118334952003101 M160A-Y189A 0.118316471982354 S156C-I188C 0.117627877490982 A94A-I186A 0.117481845329449 I190A-L195A 0.117364637905821 A124C-M160C 0.117169477798417 A163C-A183C 0.11706001953182 S156A-A163A 0.117033857515551 D150C-A194C 0.116962217747199 W172C-A178C 0.116573324715905 M111C-A180C 0.11637695906603 G162C-G169C 0.116355733223774 F96A-Y189A 0.115856381277256 A149A-Y192A 0.115429450345266 A124A-M160A 0.115410506316721 L105A-L181A 0.115081473771496 T112C-L166C 0.114913318544168 S156A-I188A 0.114659323437819 D150A-A194A 0.11438105405614 L168C-A178C 0.114214055289878 A167A-H176A 0.11417703188785 S156C-A163C 0.114078705236338 L170C-W175C 0.114022643976504 L168A-A178A 0.113802172521908 V158A-G187A 0.113775435860271 V158C-G187C 0.113683398962447 L170A-W175A 0.112869530739864 S171C-L181C 0.112606868404139 I102A-S107A 0.112412849956076 M151A-Y192A 0.111837681369751 M151C-Y192C 0.111837681369751 L125C-I164C 0.111553625886365 A167C-H176C 0.111525460547686 A85A-S91C 0.110660153398812 S133C-L152C 0.110182297948813 T100C-P110C 0.110161004048674 V158A-A183A 0.110068253517689 A85A-S87C 0.109575479245251 F98C-Y192C 0.109405524353207 F98A-Y192A 0.109170128342281 S133A-L152A 0.109060896371967 S171A-L181A 0.108894286104642 V158C-A183C 0.108835553584288 G101C-F182C 0.107759199978892 S87A-A85C 0.107256709901497 L125A-I164A 0.107084645251227 V120C-T128C 0.106994935887813 G115A-A163A 0.106761853582375 G115C-A163C 0.106706726686297 G115A-A167A 0.106596565034607 G115C-A167C 0.106571101866659 G162C-A178C 0.106449582794017 N161A-A178A 0.106421328902876 N161C-A178C 0.106376701990521 Q103C-R177C 0.106374752976244 G162A-A178A 0.106279741805875 G162C-A167C 0.106129936402942 F89A-F89C 0.105906713955743 C127C-H153C 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