[Mon Aug 29 18:09:40 2016] >Input file: TMQ8IUR5S16G.pdb >TM segments: A499-514_A642-666 MAIDEN score = -4.0733 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 ----------- ---------------- I643A-H649A 1.07474437423785 I643A-A652A 0.608036961816226 I643A-S648A 0.589833552345835 I643A-M653A 0.452944478995454 E501A-T508A 0.391247841916416 K500A-H505A 0.345419278496473 K644A-H650A 0.31499047146947 H649A-G657A 0.303480264767217 R507A-L512A 0.288772087896644 A642A-A652A 0.269750097088368 M653A-R661A 0.219348312518415 V654A-S662A 0.210647392295717 S648A-V654A 0.205783130467147 K500A-R507A 0.199458448604545 N499A-R507A 0.191565714410596 Y506A-K511A 0.188262659449755 S648A-L656A 0.177097577289859 A509A-P514A 0.172991411785203 I643A-V654A 0.172384497278344 A642A-V654A 0.160486496573319 K644A-L656A 0.155828325090536 E501A-A509A 0.146921621759367 Y506A-Y513A 0.139129214874416 E501A-R507A 0.134250354455689 I503A-K511A 0.132585060499848 Y504A-Y513A 0.128007680120654 T508A-Y513A 0.121601338210157 G657A-S662A 0.119732710046526 A642A-H650A 0.113953903603306 R507A-Y513A 0.113918422075461 I643A-N655A 0.109047210624508 N655A-R661A 0.102189129202793 G657A-G664A 0.0991175868634961 P647A-V654A 0.0975422812680149 A642A-N655A 0.0942860649535442 A652A-Y660A 0.0941514562251484 H649A-V654A 0.084548412777379 P647A-L656A 0.0841877292162998 V651A-L659A 0.0826167885018148 E501A-Y506A 0.0812413813520125 Y504A-P514A 0.0802434494498496 H505A-Y513A 0.0802068675793955 N499A-T508A 0.0746084335015973 I503A-P514A 0.0577238544756349 S648A-G657A 0.0571251078330106 V654A-R661A 0.0524645589032509 S648A-N655A 0.0518846850064625 V654A-L659A 0.049984871541449 V651A-R658A 0.0435486858292835 K500A-T508A 0.0426269766687213 A642A-V651A 0.0372997096523 L645A-M653A 0.0366323991198434 H649A-L656A 0.033208644553433 N499A-Y504A 0.0236703140625296 M653A-S662A 0.0235662491126845 N655A-S662A 0.0212470667314428 I643A-R658A 0.0206001572337302 L645A-L656A 0.0196363433008422 H650A-G657A 0.0182473146076898 L645A-A652A 0.0163796866667969 N655A-Y660A 0.01240916786218 L645A-H650A 0.0091936527369208 I643A-G657A 0.000822460195325281 H649A-N655A -0.00148769650619496 L645A-V651A -0.00442733941243922 S646A-N655A -0.0114371242653089 A502A-R507A -0.0149316513940164 T508A-P514A -0.0163480925252733 R658A-G664A -0.0168963058942142 H650A-L659A -0.0182250658979326 Y504A-A509A -0.0225042205539285 V651A-Y660A -0.0225331039094137 A502A-L510A -0.0263419282207238 L659A-G664A -0.0451011310137144 A642A-G657A -0.0594460360973335 P647A-G657A -0.06037626021388 K644A-H649A -0.0615497285248141 I643A-L656A -0.0718440591679679 M653A-R658A -0.0805682727973438 N499A-H505A -0.0807818131610034 S646A-L656A -0.0848949537980541 P647A-A652A -0.088391821853296 S646A-V654A -0.088904129244165 I643A-L659A -0.0928015527403927 K644A-N655A -0.0957457770894394 L656A-L663A -0.100888656077494 G657A-L663A -0.102743762220557 I503A-Y513A -0.104974761509679 Y504A-L512A -0.105046763052224 I503A-L512A -0.105243441933245 V654A-L663A -0.10914792200674 N655A-L663A -0.109694653419819 I643A-Y660A -0.110822491764423 P647A-M653A -0.111133609988022 H505A-K511A -0.113813715800099 P647A-N655A -0.114058979406772 A652A-L659A -0.11667098175508 H650A-N655A -0.121257554426322 M653A-Y660A -0.123242954522598 Y504A-L510A -0.124696488000277 Y506A-P514A -0.137362151580986 K500A-A509A -0.142193757797846 L656A-S662A -0.143915502376207 A502A-K511A -0.14729427553246 S646A-M653A -0.15617147845074 S648A-M653A -0.158145384383605 E501A-L510A -0.160018884594979 K644A-M653A -0.164682053628653 Y506A-L512A -0.165372251392179 A642A-L659A -0.165782255226767 H650A-L656A -0.166078939114616 K644A-V651A -0.171285618006179 I643A-V651A -0.179655752372989 L656A-R661A -0.182790185793974 A502A-A509A -0.188225977234329 V651A-G657A -0.188451100720761 A502A-T508A -0.192663808888724 A652A-R658A -0.201063979297028 A642A-S648A -0.203538819565998 A642A-L656A -0.209279221422453 Y504A-K511A -0.210450625428156 S646A-V651A -0.212320086679911 I643A-H650A -0.214414527893534 H650A-R658A -0.218059909031995 I503A-T508A -0.219628748650256 K500A-Y506A -0.229658762905286 H505A-L512A -0.245655986033883 I503A-L510A -0.248605561398436 H505A-P514A -0.256419196200665 R658A-L663A -0.284527618364732 I503A-A509A -0.304621476993648 A642A-P647A -0.342142867163762 K644A-A652A -0.355246139064486 H505A-L510A -0.368045061531991 A642A-M653A -0.369490283536986 V654A-Y660A -0.373875160951681 S646A-A652A -0.374516911818649 R507A-P514A -0.406792677775846 V651A-L656A -0.416010457705266 M653A-L659A -0.445674886655669 N499A-Y506A -0.471006494225558 A652A-G657A -0.474127256131055 A642A-H649A -0.504460222367774