[Fri Aug 26 17:35:13 2016] >Input file: TMB2RX33S1D.pdb >TM segments: A113-120_A122-135 MAIDEN score = -2.9624 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 ----------- ---------------- D114A-L132A 0.781186809058206 R120A-N128A 0.345370739654248 N118A-P125A 0.305359411629865 I113A-A129A 0.296520083294185 Y124A-A129A 0.237869465775553 N117A-S127A 0.222074865947443 N122A-E130A 0.210688277039371 V115A-S127A 0.210363861468501 D114A-M119A 0.197200129795467 S116A-Y131A 0.158033332720782 S116A-Y124A 0.148642139372964 P125A-L132A 0.148539726237713 V115A-A133A 0.147806180564899 R120A-S127A 0.143006699132686 N117A-E130A 0.129023872988426 N117A-E126A 0.125697598101201 N118A-Y131A 0.118610091515355 V115A-Y131A 0.118396650524691 N118A-Q123A 0.118109842713646 S127A-L135A 0.0936493748405276 D114A-L135A 0.093305049494969 Q123A-N128A 0.0931844621980791 S116A-A133A 0.0922718040231545 R120A-P125A 0.0911213867115617 V115A-A129A 0.0873416747816798 E126A-L132A 0.0852675845410358 N118A-E130A 0.0852132444698102 Y124A-Y131A 0.0723844302751309 I113A-L135A 0.0612955168029006 N122A-Y131A 0.059776645751188 S116A-N122A 0.05951955764007 S116A-S127A 0.05793057156165 N117A-Y124A 0.0544251029799025 N122A-N128A 0.0518440332806951 I113A-S127A 0.048067780750382 D114A-S134A 0.0480523627049999 S116A-N128A 0.0420704893306461 I113A-L132A 0.0406193615103141 M119A-P125A 0.0321201244936862 S116A-Q123A 0.0310298842885768 M119A-S127A 0.0284494770122159 S116A-A129A 0.0207496948010855 N117A-N122A 0.0179256912565956 V115A-E130A 0.0161002101010695 N118A-N128A 0.00949042102942865 E126A-L135A -0.00388201456536696 N122A-A129A -0.00445479420982756 S116A-E126A -0.00921045673631937 P125A-S134A -0.0190901900126796 M119A-A129A -0.021688192213686 E126A-S134A -0.0251642217977315 Q123A-E130A -0.0261972808441591 Y124A-S134A -0.0276008726312362 S116A-E130A -0.0290606411333965 N118A-E126A -0.0303168160329146 D114A-N128A -0.034881976698373 D114A-S127A -0.0355379562742871 N122A-S127A -0.0430727858039699 Q123A-Y131A -0.0443375049573174 D114A-Y131A -0.0494092995135773 M119A-Y124A -0.0583578652716776 M119A-E126A -0.0601904810446667 N118A-L132A -0.0604185760439826 N117A-Y131A -0.0610544856178028 Q123A-L132A -0.064196626779943 P125A-A133A -0.0648642069170828 D114A-E130A -0.0672297970964308 D114A-E126A -0.0678424274577156 N117A-A129A -0.0707514816811088 N118A-A129A -0.0708741938823487 V115A-N128A -0.0761954377128107 Y124A-L132A -0.076457812056661 V115A-L132A -0.0843272567600337 P125A-E130A -0.0881192423265511 Q123A-A129A -0.0917450202022261 I113A-S134A -0.0924812560464057 Y124A-L135A -0.109119567621064 Y124A-A133A -0.113132104575023 D114A-A133A -0.122211125203968 E130A-L135A -0.123752654890272 N117A-L132A -0.135311090257618 N117A-Q123A -0.141235688363127 S127A-S134A -0.141240871043741 I113A-N118A -0.146861189040767 R120A-E126A -0.149291034275018 I113A-E130A -0.150167961584228 Y124A-E130A -0.153062265315127 I113A-Y131A -0.162525426611883 N128A-L135A -0.168590520808572 P125A-Y131A -0.1926717901037 N128A-A133A -0.200666831281444 S116A-L132A -0.220012069605593 S127A-A133A -0.221622743422954 N128A-S134A -0.241048555675355 I113A-N128A -0.24555245962282 N118A-S127A -0.246067652247408 E126A-A133A -0.254402888997433 M119A-N128A -0.26039005788609 A129A-L135A -0.302901095433789 E126A-Y131A -0.334713999247787 I113A-A133A -0.342130659208967 S127A-L132A -0.354442135564062 N117A-N128A -0.354602444459348 D114A-A129A -0.441422495042132 N118A-Y124A -0.497241849524658 A129A-S134A -0.512723177399143