[Mon Aug 29 17:13:06 2016] >Input file: TMQ20144S7G.pdb >TM segments: A417-455_A550-565 MAIDEN score = 0.3175 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 ----------- ---------------- L425A-I434A 1.20072841693781 L442A-L447A 1.00750682436984 L418A-L438A 0.931745321709151 L425A-H435A 0.834104554730153 E417A-L438A 0.780392118471274 E417A-V441A 0.747926101472176 S422A-I434A 0.689800615758345 H435A-D450A 0.60947003817204 S422A-L438A 0.583319236585304 L418A-N437A 0.521753870677122 L438A-N454A 0.518297531846071 Y421A-L438A 0.515949924640716 L442A-A451A 0.506472899156164 Y421A-N437A 0.482663110926638 K433A-K440A 0.473172316211901 L418A-V441A 0.46062981666569 S419A-H435A 0.397384260561613 E417A-K440A 0.389553753568974 V441A-A451A 0.386975598630931 Y436A-A451A 0.382510255931955 H435A-K440A 0.368404355376124 K433A-A451A 0.3526472699398 L438A-A451A 0.350647495888553 D450A-Y455A 0.350305533380527 L442A-K449A 0.347345309444345 Y421A-I434A 0.346033187076982 G446A-E452A 0.322591202938487 P429A-N454A 0.311591951216797 L425A-T430A 0.306523029367945 K440A-A451A 0.305517655554503 W557A-P565A 0.294172364275305 K440A-Y455A 0.286393034838412 E417A-G424A 0.283179681948655 E417A-N454A 0.267612405223759 A560A-P565A 0.263866328857093 G439A-K453A 0.257849225531057 S422A-K440A 0.255141769550829 S422A-N431A 0.254886919474154 K433A-L438A 0.252657554025941 S426A-H435A 0.246108971155301 K558A-I563A 0.24010418568006 K558A-P565A 0.239896571996878 S426A-K433A 0.235574552945081 I434A-V441A 0.222628785881459 S419A-N437A 0.221975916827912 H435A-K453A 0.221194775708212 S423A-K433A 0.22063965294257 N431A-G439A 0.219753645638327 S426A-A432A 0.213414813482363 L420A-H435A 0.212982315986855 S419A-P429A 0.210246639518158 L442A-N454A 0.208353908462994 M554A-R562A 0.206150414998004 K440A-E452A 0.205578855124573 G443A-D450A 0.204479496181478 S419A-K440A 0.202980840015 L442A-T448A 0.194351188744217 V427A-H435A 0.191196493923473 E417A-K433A 0.185926933600818 L420A-N431A 0.185796263398126 S423A-N454A 0.185314990782703 N437A-L442A 0.183874892020984 A553A-T561A 0.183157627198904 G424A-P429A 0.1798716154216 S419A-N431A 0.179305022433446 S555A-P565A 0.178694938094369 S419A-Y436A 0.177735484727129 L420A-P429A 0.173892292861052 Y421A-K433A 0.173118707414102 N445A-D450A 0.172946023301265 N559A-P565A 0.17253444293308 L420A-G439A 0.168840192282078 S422A-V441A 0.165314879913222 L438A-K449A 0.165302035744236 S423A-N431A 0.160453320858272 D550A-N559A 0.154560923269402 C428A-Y436A 0.149925133928778 S419A-G439A 0.148337847191083 L420A-K433A 0.148267020753082 S419A-N454A 0.147835330492885 A432A-K440A 0.146757866076806 G424A-I434A 0.146123722162863 L418A-K440A 0.144214614818643 N437A-D444A 0.14373438282851 E551A-A556A 0.13947812858685 N445A-N454A 0.136500078904384 H435A-G443A 0.135058942624098 S423A-N437A 0.133064508203162 Y436A-D450A 0.132957687131575 L418A-G443A 0.132911485509688 I434A-N454A 0.132305214867422 L418A-L447A 0.131876947297633 Y421A-Y455A 0.127740039462305 G424A-N431A 0.125451712001712 D444A-K453A 0.125329896063218 S419A-V427A 0.124466414073221 S426A-N454A 0.12256521711786 G439A-E452A 0.120644235067852 V427A-A432A 0.117224269405249 T430A-G439A 0.116835572172614 K433A-V441A 0.114319008552684 S419A-A451A 0.114260620896649 V441A-E452A 0.11366704600961 L418A-K433A 0.112684536563816 S423A-H435A 0.111185924255335 D550A-K558A 0.110833904670368 L438A-L447A 0.109910616664145 Y421A-G443A 0.109309520134029 S422A-L442A 0.107031570644022 E417A-G443A 0.105279000988583 S423A-A432A 0.104293978468401 P429A-Y455A 0.0965226579448109 N437A-T448A 0.0963978900677818 T430A-N437A 0.092176379978441 S422A-V427A 0.0886336533054557 V441A-K453A 0.088071382506806 E417A-Y436A 0.0858422431696746 N437A-N445A 0.0856800243738747 V441A-Y455A 0.0849453742784012 S419A-C428A 0.0848227200726366 S422A-N454A 0.0838716816326417 L438A-G443A 0.0832619948907496 L418A-S426A 0.0772311794713607 S426A-L438A 0.0770835246995349 S419A-D444A 0.0746945657737097 G443A-K453A 0.0725170800917729 S419A-K433A 0.0710936599442102 S423A-G439A 0.0710050793547645 S423A-I434A 0.0693977293559129 K433A-Y455A 0.0691784523956409 K440A-K453A 0.0690590558419908 S419A-N445A 0.0689347415195014 A432A-A451A 0.0680908960358781 E417A-D444A 0.0674004381038431 L418A-I434A 0.0669772596685953 S555A-R562A 0.0665640928551716 Y421A-Y436A 0.0647060247315501 G424A-N437A 0.06324030676509 V427A-K433A 0.0603913186719174 E417A-L425A 0.0557606245204529 N437A-G446A 0.0546010279254174 A432A-G439A 0.0541629905646772 K433A-K453A 0.0522411354300054 D444A-A451A 0.0521020401338461 D444A-E452A 0.0510208769074714 G439A-L447A 0.0489637498443019 S422A-Y436A 0.0489299701651724 N431A-N437A 0.0460455045186321 M552A-A560A 0.0451659447071386 L418A-A451A 0.0438939508132399 Y436A-G443A 0.040442160240485 L425A-N431A 0.038821137898803 T430A-K453A 0.0380890906387258 Y421A-N454A 0.0349635683411611 Y421A-H435A 0.0349386944440697 T448A-N454A 0.0317496481269997 S422A-A432A 0.0307769840655485 L418A-D450A 0.0307112712803896 L420A-Y436A 0.0285780781701988 S426A-N437A 0.0281558485303011 N437A-D450A 0.0274697600756579 S419A-L442A 0.02724575496332 V441A-K449A 0.0266280413131801 L438A-G446A 0.0265634661020826 K433A-E452A 0.0252962254000235 E417A-H435A 0.0238095935071305 S555A-D564A 0.0210954004096897 G424A-G439A 0.0208097025667926 G443A-Y455A 0.0198085252331097 T430A-L438A 0.0196536486932617 Y421A-A451A 0.0191123180242867 N437A-Y455A 0.0181113823039056 S422A-D450A 0.0164847087144104 A556A-I563A 0.0158190419968331 N437A-E452A 0.0157433519565253 K433A-N454A 0.0140532060325986 L425A-V441A 0.0120840846068533 M552A-K558A 0.0114906196744102 N431A-N454A 0.0113964236266816 L418A-P429A 0.0105706549302731 N431A-Y455A 0.010074599396424 S423A-T430A 0.00824638066065209 P429A-L438A 0.00710285932900767 W557A-R562A 0.00636280395060318 A556A-P565A 0.00516016177274903 Y436A-D444A 0.00342351402125107 L425A-G439A 0.00299875733184418 Y436A-N445A 0.00275056742178137 L425A-Y436A 0.0027388143611482 P429A-K453A 0.00250931818516298 T430A-Y455A 0.00186131079627661 E551A-N559A -0.000663430044206326 L418A-S423A -0.0018296188957212 H435A-D444A -0.00698050569857323 C428A-L438A -0.00836181743505371 H435A-L447A -0.00841062773729773 A556A-D564A -0.0111806485932977 L447A-Y455A -0.0116782571812131 S422A-K433A -0.012954904613248 G446A-K453A -0.0131612132207866 L420A-L442A -0.0131814914478561 I434A-L442A -0.0141520324147617 N431A-Y436A -0.0142429444273733 E417A-G439A -0.0157409465654581 L425A-A432A -0.0163256446914728 A553A-R562A -0.0173453023873131 I434A-K453A -0.0173764783166046 E417A-S426A -0.0194144894603954 L418A-V427A -0.0197703625430421 E417A-L442A -0.0199968372948991 S422A-A451A -0.0202200110826416 D444A-K449A -0.0210208048694316 S422A-T430A -0.0224176693998697 G443A-N454A -0.0227593096866563 L420A-I434A -0.023578864957349 N437A-K453A -0.0270846923276684 G424A-Y436A -0.0273944028291995 Y421A-A432A -0.0282697810679737 A432A-V441A -0.0291124411512254 P429A-H435A -0.0296549313585743 T430A-N454A -0.0308116238684564 K440A-N445A -0.0327323442206016 G439A-D444A -0.0341346331699617 L438A-D450A -0.0352356563146641 E551A-A560A -0.035845667317817 L418A-N445A -0.0358774117368772 L418A-G446A -0.0364660441783897 L418A-D444A -0.0369097884352065 T430A-Y436A -0.0376521147439184 L425A-N454A -0.0379544402682039 G439A-G446A -0.0382293492797281 I434A-D450A -0.039144880758776 A432A-K453A -0.0394403831975021 D550A-W557A -0.0400442413028221 A553A-A560A -0.0400729106615163 W557A-D564A -0.0420000467885625 V427A-L438A -0.0422089663482206 L447A-N454A -0.0432829887603303 Y436A-E452A -0.0453791981558238 S426A-Y436A -0.0468789797153573 L420A-K440A -0.0471302089545098 A432A-E452A -0.0472240793846064 L425A-K453A -0.0483891669818578 S555A-I563A -0.0487459951852927 H435A-Y455A -0.050223105522454 L425A-K440A -0.0505664444626767 L420A-L438A -0.0506740159772816 G446A-Y455A -0.05147505628939 S423A-V441A -0.0522302690672758 L418A-N454A -0.0526969806821413 Y436A-K449A -0.0531142289621971 D550A-S555A -0.0534595575997339 P429A-G439A -0.05352754293083 K440A-N454A -0.0540259309577698 E551A-K558A -0.0543306061895388 T430A-H435A -0.0552028774622266 E417A-A451A -0.0553141303834073 M552A-T561A -0.0555762696334812 S423A-Y436A -0.057335122077772 Y436A-T448A -0.0578279270470583 L438A-N445A -0.0610318530199025 E551A-W557A -0.0610382234301468 N437A-G443A -0.0620744691075026 P429A-I434A -0.062167351693482 G439A-D450A -0.0632431888725912 P429A-Y436A -0.0634866649371313 S422A-Y455A -0.0640173110638062 S422A-G439A -0.0644428143714242 L418A-Y436A -0.0645883555479032 I434A-A451A -0.0647083391144063 P429A-N437A -0.0678913938965233 E417A-N445A -0.0684416751615086 N445A-E452A -0.0685024290672543 S423A-P429A -0.0686865728745332 K449A-N454A -0.0723635953684796 Y421A-S426A -0.0728323676316602 H435A-E452A -0.0736644881568057 L418A-H435A -0.075693798334628 G424A-A432A -0.0758173556818384 L425A-K433A -0.0766755532252033 Y421A-L442A -0.0770855699512052 A553A-N559A -0.0774756975519879 E417A-S423A -0.0776564585858149 S419A-L438A -0.0784182840671903 N431A-L438A -0.0786707482364992 H435A-K449A -0.0798393024801705 D444A-Y455A -0.0819119593569293 Y436A-K453A -0.0820541266327659 S422A-K453A -0.085640230806979 M552A-W557A -0.0878065048882219 G443A-E452A -0.0889586687259021 A553A-K558A -0.0919708569230915 N445A-K453A -0.0931037349176654 N559A-D564A -0.0932614755035555 N431A-K440A -0.0949511689954529 L438A-T448A -0.0950456649226954 N437A-K449A -0.100951638782022 D550A-A556A -0.101133078254285 K440A-G446A -0.102360158381185 I434A-G443A -0.103213337938413 T448A-Y455A -0.110104864394618 M554A-T561A -0.112157907797496 G439A-N445A -0.113313420077571 L447A-E452A -0.116455340716152 L442A-E452A -0.116664299584913 S419A-S426A -0.116758963531963 D444A-N454A -0.117144085970944 K440A-L447A -0.118156426188768 N431A-K453A -0.118989475185602 S426A-N431A -0.121753403278378 L425A-L438A -0.123470605543368 L425A-N437A -0.12578167639896 I434A-E452A -0.13195891498141 H435A-T448A -0.133181686677104 Y436A-L447A -0.133188565917747 L420A-C428A -0.134961999852759 L418A-A432A -0.136797654675239 M554A-N559A -0.136880768897089 L442A-D450A -0.137043435756131 Y421A-T430A -0.137980412243866 Y421A-K440A -0.13850246575058 K433A-G439A -0.13913607200152 E417A-S422A -0.143061359236736 L442A-Y455A -0.143180551773176 S419A-G424A -0.146473354104444 L418A-N431A -0.148119102699454 M554A-I563A -0.148941754212247 S423A-C428A -0.150194304473 T448A-K453A -0.150985967200455 G424A-N454A -0.15121294940055 V441A-N454A -0.15124601795699 Y421A-P429A -0.151866575758178 K440A-K449A -0.152365245399343 L438A-Y455A -0.153925261154965 M552A-N559A -0.15793412627935 K440A-T448A -0.157942858030132 D444A-D450A -0.158573643450821 V441A-D450A -0.160687066007427 L420A-A432A -0.161370443085307 A556A-T561A -0.162199064410589 H435A-L442A -0.163026771096874 G424A-L438A -0.165397234054826 A432A-N454A -0.167826407123577 K440A-D450A -0.169766762045034 L447A-K453A -0.173245528522748 S419A-I434A -0.17344319888869 K433A-L442A -0.173549342887399 K558A-D564A -0.173773871869059 G424A-K433A -0.174006785189957 A432A-N437A -0.179104949890383 S422A-P429A -0.179752551629985 N437A-A451A -0.182057202145082 E417A-N437A -0.182625916436225 G424A-H435A -0.18454243714788 I434A-Y455A -0.185304987874902 G446A-N454A -0.185359326115798 G439A-K449A -0.188373351062925 L425A-Y455A -0.190041103629216 A556A-R562A -0.191063505372848 N437A-L447A -0.191888618986908 L418A-L425A -0.192240948096395 E417A-I434A -0.19391078465011 L438A-K453A -0.19731969126683 G443A-A451A -0.198254887910462 Y436A-V441A -0.198299609051958 G443A-K449A -0.199455744195173 V427A-I434A -0.200445088585346 L418A-Y455A -0.200469881266718 A432A-L438A -0.209964522109999 L438A-E452A -0.210700066414249 Y421A-G439A -0.211266742039776 V441A-G446A -0.213969317109896 V441A-T448A -0.216613152643112 Y421A-D450A -0.218786928942905 Y436A-N454A -0.219930784231943 S423A-L438A -0.220322192203191 N445A-A451A -0.221794981352334 I434A-K440A -0.223260900307544 L420A-V441A -0.224363339810633 L420A-V427A -0.225976329050907 S555A-T561A -0.227646177450761 G424A-T430A -0.228035173399708 H435A-N454A -0.228154298461884 K449A-Y455A -0.229120662643699 I434A-G439A -0.230789576052076 Y421A-C428A -0.233267230033537 Y436A-L442A -0.235847025154094 L442A-K453A -0.239627770162259 L420A-N437A -0.249042492262057 S419A-V441A -0.250200182765115 C428A-N437A -0.25615456589042 C428A-H435A -0.258387485636704 S419A-L425A -0.265224969253527 A432A-Y455A -0.273651135603932 G439A-Y455A -0.273821574888459 S422A-H435A -0.275865076801607 G446A-A451A -0.281124790902728 S426A-I434A -0.287884633054809 L418A-G424A -0.291416630608861 L418A-G439A -0.293777625847165 G443A-T448A -0.300060366881042 N437A-N454A -0.301630153301019 S555A-A560A -0.303877407258023 C428A-K433A -0.304608789154027 L438A-D444A -0.305996211813885 H435A-V441A -0.307609451371483 L418A-L442A -0.310952527549189 S422A-N437A -0.325482414058247 L420A-S426A -0.330058998198958 Y421A-V441A -0.332525295011808 W557A-I563A -0.335264804678476 G439A-T448A -0.357993664817417 Y421A-N431A -0.363914216549155 Y421A-V427A -0.386422546191752 L420A-L425A -0.390965894456023 C428A-I434A -0.394812322726489 M554A-A560A -0.401121421033031 H435A-A451A -0.437893632321379 S422A-C428A -0.465448603261955 V441A-L447A -0.466097708351874 Y436A-Y455A -0.591610182967002 G439A-N454A -0.732690310672852 G439A-A451A -0.776491543982538