[Wed Aug 24 18:57:12 2016] >Input file: TM3MKTCGD.pdb >TM segments: A6-44_A47-71_A97-119_A121-148_A243-265_A275-299_A315-339_A359-382_A385-410_A422-445 MAIDEN score = -47.5041 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- A328A-C368A 10 V65A-A248A 1.83805212102435 K9A-L14A 1.16276581539603 F362A-W425A 1.13705092104288 E10A-I15A 1.1249791889908 Q111A-I116A 1.12041314486273 M369A-L432A 1.09191957750985 Q373A-L437A 1.08335275064868 H276A-N281A 1.06756853968688 I37A-A49A 1.04090773620088 T327A-C368A 1.00807513140776 V247A-F252A 0.974652471088077 I37A-V42A 0.95700148467003 A249A-E254A 0.931216879306684 A275A-K422A 0.921988148641907 K16A-A296A 0.914216849383815 R6A-A11A 0.901378637742763 I293A-V375A 0.8819367927284 A11A-K16A 0.874690986639812 Q373A-A436A 0.843839242563211 Y366A-I429A 0.839444939494474 L68A-L243A 0.836607151861338 L68A-G244A 0.819409145521572 D370A-V375A 0.816069146050902 L402A-I407A 0.81084205706768 I365A-D370A 0.809650781045846 P246A-H391A 0.787976797479828 E10A-A316A 0.786760698139846 L243A-D385A 0.761105350967574 Y397A-I430A 0.756730100144271 C329A-L334A 0.752600415868309 D370A-A436A 0.751063523507898 Y406A-F428A 0.741369644893469 T404A-F424A 0.738216195580244 V297A-L380A 0.73463999433669 K9A-I315A 0.725093585022015 V399A-T404A 0.713368907386206 K128A-M133A 0.705394747045643 V375A-L380A 0.700732175699018 L402A-F428A 0.691272376249877 S102A-I137A 0.683178727060218 M38A-A49A 0.681249391046149 Y366A-L432A 0.679442603267668 A376A-R381A 0.679242889507869 Y397A-L402A 0.679193853279846 A317A-L380A 0.674263557592985 L325A-C368A 0.673992136345204 A70A-L145A 0.673785037485059 L243A-A388A 0.667467564743917 V278A-L360A 0.660458828228816 G409A-F424A 0.660186506414486 G405A-F424A 0.658378943632322 I407A-F424A 0.657143320295577 N13A-A18A 0.646189293084122 L68A-V247A 0.642374179550778 L67A-V247A 0.640944576573466 I299A-S379A 0.636937793375341 A48A-E122A 0.631464307329212 M69A-L145A 0.626906656399804 V319A-G324A 0.622972589882901 V372A-A435A 0.620958967055759 F394A-A435A 0.620554927140485 L68A-F245A 0.613455584721322 L68A-P246A 0.611589850380478 F245A-A388A 0.607853499031541 A295A-V375A 0.607487650930254 F33A-M38A 0.606544129461387 A332A-I365A 0.603933714686158 A275A-L359A 0.602726492325101 L334A-R339A 0.601766514652289 M369A-A436A 0.60111120510027 A98A-F138A 0.6007467081911 F287A-Q367A 0.600467906514057 L71A-L243A 0.597790239865835 A70A-L144A 0.595038482826655 V247A-T387A 0.59204961017412 P290A-D370A 0.591064330989045 E254A-A259A 0.590367352259179 A317A-V375A 0.587348120907926 L408A-F424A 0.587043874785395 F245A-A250A 0.586605934515624 V286A-A328A 0.585648111492388 G66A-P141A 0.580369507005247 A250A-F394A 0.568172281069455 D385A-F390A 0.564794670526194 T129A-H134A 0.561577116319982 A279A-L360A 0.560899086736794 F287A-A371A 0.554525001159165 M31A-T36A 0.554399296690163 L17A-S292A 0.553911672400302 T404A-M410A 0.544221590777451 Y406A-W425A 0.532771878365977 F63A-A248A 0.529643937663325 L437A-R442A 0.528935219990199 P290A-G324A 0.528504527912126 S298A-R381A 0.526327302640312 F390A-L439A 0.52370455316449 L408A-W425A 0.519768500549851 A377A-F390A 0.519482671346919 L99A-F138A 0.51460876940699 L109A-F114A 0.506680023326155 L402A-F424A 0.506616447997404 V372A-A377A 0.506413013831164 T19A-A24A 0.505926604872834 A124A-T129A 0.505846408336957 L333A-A364A 0.499695329548844 A328A-M369A 0.498808680001988 L321A-V372A 0.498198793824128 A328A-Y366A 0.497284533553728 A248A-F253A 0.496575266846004 G401A-Y406A 0.491845596070729 G324A-V372A 0.488802211617612 V65A-A249A 0.485074636218102 I293A-G320A 0.483894810163289 F258A-L263A 0.479981092330689 N13A-V297A 0.479526143051747 Y397A-L432A 0.479209555016803 L325A-I330A 0.479175477064318 M69A-L144A 0.474834779193573 Y406A-L426A 0.473945840419209 L400A-I430A 0.471146271536411 I115A-E123A 0.469489894332762 I116A-E123A 0.467470665282363 I293A-S298A 0.466766358474169 S43A-A48A 0.465560055655609 V50A-S55A 0.464672554946612 V375A-R381A 0.463028848439655 G64A-V247A 0.459748910846204 L14A-I293A 0.459585151574045 Q277A-F282A 0.45939704914985 T323A-A328A 0.452963412533698 I315A-G320A 0.451409606578885 I407A-G427A 0.450813713402917 E10A-I315A 0.450059112589779 T404A-G409A 0.446831166698413 L22A-F289A 0.44348100220203 G378A-T387A 0.441360920496223 A328A-D370A 0.441157487763057 F287A-D370A 0.441147366418772 V278A-L359A 0.439092158289837 L321A-A376A 0.43753795850273 I105A-F110A 0.436717237413462 S283A-A363A 0.436338987463453 L321A-V375A 0.436257889931756 P246A-E254A 0.435118509858217 Y366A-A371A 0.433337271737427 K9A-N318A 0.431401052929907 F362A-L426A 0.431025389751516 I61A-F253A 0.430439989602133 Y143A-A148A 0.426701803115312 I293A-G324A 0.42549235483983 L62A-I105A 0.425096826420467 Y406A-G423A 0.422766667206339 L359A-K422A 0.4227069635341 G401A-I429A 0.422556890446092 V297A-A317A 0.422360837331387 A279A-L359A 0.421074608930937 R6A-V319A 0.420275227515299 F63A-F252A 0.417522321592179 L99A-P141A 0.417245905384911 L325A-V372A 0.41263889111711 V297A-V375A 0.411836404691391 A279A-A363A 0.411348035528893 S25A-M288A 0.40894509711393 V108A-Q113A 0.40874241349367 F362A-K422A 0.408012195199461 V42A-A48A 0.407349080569207 K128A-H134A 0.406986831031445 R339A-L360A 0.403474816722255 M69A-L243A 0.403006560868022 S283A-Y366A 0.402914694616598 I389A-F394A 0.401545278523971 R381A-L439A 0.400461147417912 F424A-I429A 0.399439342224215 G32A-I37A 0.398236447593584 Q373A-L432A 0.396718841071984 M369A-W425A 0.396488997406771 S60A-F252A 0.395700898894988 M31A-I37A 0.394894548871864 V374A-A436A 0.394650251812431 S55A-T127A 0.393362062381059 V140A-L145A 0.391613493227023 G41A-V50A 0.388839521166645 V42A-A49A 0.388011374887014 S298A-A316A 0.387757980563996 I365A-I429A 0.387275802746514 V130A-A135A 0.38709865095391 A275A-L280A 0.385806658219328 G405A-I430A 0.385609411767766 T335A-A364A 0.385057362697566 F289A-A371A 0.384874368943116 F110A-K128A 0.383618167785149 Q373A-G378A 0.380523254078572 I61A-F252A 0.377127921048832 V278A-S283A 0.37654287871867 T327A-A332A 0.376211962604818 P246A-D385A 0.375934743970153 Q113A-G131A 0.37491509727471 Q373A-L439A 0.37316484940123 G405A-I429A 0.372373601861283 T393A-L439A 0.369885268935981 A48A-A124A 0.369466482505896 G409A-W425A 0.36899826984665 V286A-Q367A 0.368662758758658 L325A-A371A 0.368446921089838 P290A-V375A 0.368185274594858 P290A-Q373A 0.367464802153351 L22A-S292A 0.366683761939885 A332A-A371A 0.366531734799183 V261A-L402A 0.364267170805598 S51A-I56A 0.363499408403955 A250A-A377A 0.361511832884514 M369A-S433A 0.360737957942412 V42A-M47A 0.357380891004641 W398A-F428A 0.357275317948114 G294A-V375A 0.357137567982944 A376A-L439A 0.355140529609804 V255A-V260A 0.354527655790761 P290A-Q367A 0.35451143355199 A377A-L439A 0.354498218578445 A18A-I293A 0.354010537460614 L71A-G244A 0.353480330724506 T335A-L361A 0.352029892576935 S25A-G30A 0.351142355068321 A364A-K422A 0.350817860085467 A98A-A148A 0.349958243661335 E122A-K128A 0.349275146327485 L380A-R442A 0.345843719839319 T335A-C368A 0.345324555466132 Y132A-I137A 0.344632797586195 A53A-K128A 0.344166593074897 P290A-S298A 0.344038256232231 V21A-V26A 0.343170074930785 A316A-A377A 0.342345170541092 V372A-Y397A 0.341938751543229 V65A-G244A 0.341295553211492 P104A-Q111A 0.341166461839232 L400A-G431A 0.340602774358434 F245A-E254A 0.340520868736372 Y366A-V375A 0.338944688456485 M125A-V130A 0.33844324254664 L71A-G382A 0.338050306802544 A377A-G382A 0.336890383925303 L99A-A142A 0.336336545494857 A332A-Q367A 0.334649292685293 S51A-P59A 0.332442735782673 G409A-K422A 0.332057900378811 L17A-I293A 0.331581732230621 G41A-A126A 0.330262091466289 G40A-M47A 0.329659862803338 Y397A-S433A 0.329659018780697 L380A-M386A 0.329455547645989 L243A-A248A 0.328464800415685 F390A-I395A 0.327594157550667 A18A-G324A 0.327321286104585 Y7A-S12A 0.326837402705861 P290A-V374A 0.326120848649161 K9A-A18A 0.326106798333654 S396A-A435A 0.32575725401384 A316A-G382A 0.325124464199597 A98A-G244A 0.323401406834342 S396A-A434A 0.323279573346372 M31A-V42A 0.323170983858469 D370A-A435A 0.322499795430975 G378A-A435A 0.322301075236935 A279A-S284A 0.321429770082264 M47A-I52A 0.321201447255206 A18A-G320A 0.320414384726246 L257A-A262A 0.320128320254619 G405A-M410A 0.319614507642892 A371A-S379A 0.319282772373375 I106A-Q111A 0.319028137300629 S55A-A124A 0.317942551155169 V260A-M410A 0.315838898285361 A107A-K128A 0.315179415898608 P246A-S379A 0.314052632212132 G423A-G431A 0.313669818074193 A248A-G378A 0.312721586727575 K8A-A317A 0.31263064813959 A332A-C368A 0.312448901388007 S292A-A376A 0.311610175454992 S55A-A126A 0.310040069407394 A296A-G324A 0.309802883274882 F110A-G131A 0.309230145182647 L321A-A371A 0.307510568681479 P403A-L408A 0.306864439634085 T335A-L360A 0.306793395793038 A316A-G324A 0.30670073401717 L71A-V247A 0.306442810324139 T36A-A49A 0.305917878311193 M69A-A148A 0.304384440442128 L71A-A148A 0.3039318225722 A70A-Q147A 0.302081154526488 D35A-M133A 0.300708928136758 A363A-G423A 0.300705463877262 L17A-A295A 0.300607430709897 I430A-A435A 0.300354300797957 P141A-Q147A 0.299714723247178 W57A-V255A 0.298433881670094 R381A-F390A 0.297406971497077 A317A-G382A 0.296824417435273 A250A-I395A 0.296778404579845 L321A-A326A 0.296479164781031 V297A-S379A 0.296415023047065 A332A-L361A 0.296375991571042 P59A-T129A 0.296221643493286 P104A-T112A 0.296068034324847 V374A-S379A 0.295642953222302 R339A-L361A 0.294950664059927 A250A-H391A 0.294303300915039 I106A-A135A 0.294054539036676 G64A-L251A 0.293695508758642 Q28A-M288A 0.293481055165193 S379A-H391A 0.292229960432425 V65A-V247A 0.291877034724844 L62A-F252A 0.291854080915899 G378A-G440A 0.291700560049897 A328A-L333A 0.291174692839594 A328A-I365A 0.290869299471556 S102A-F138A 0.290658480630566 Y366A-G423A 0.290576836290765 M291A-Q367A 0.289816122881922 L361A-Y366A 0.289418530074574 S60A-H134A 0.289406887495179 A18A-I23A 0.289227294046923 A316A-L380A 0.289062959618544 S12A-G320A 0.288838552584645 Y7A-I315A 0.288203924677955 T36A-A48A 0.287768152378042 L400A-G405A 0.287480662344112 M369A-I429A 0.2872750143922 V50A-E122A 0.286255355073205 S283A-A371A 0.28610812546539 G405A-W425A 0.28588605180161 T112A-R117A 0.285718119298267 L243A-G378A 0.285380108273324 L22A-M288A 0.283103421464585 V319A-V375A 0.282196658371014 V26A-M31A 0.282036905773339 A259A-L264A 0.279885584088338 L67A-F245A 0.279753497699978 S55A-H134A 0.279440775364332 V261A-Y406A 0.279382887261264 G64A-L243A 0.277731273871378 L22A-G30A 0.277488473304456 I429A-A434A 0.277244569394525 M38A-S43A 0.276177026185204 A98A-L145A 0.275925023671282 L408A-L426A 0.275302512881097 L67A-G244A 0.27467358326101 L408A-G423A 0.274668282280868 Q111A-E123A 0.274173154546186 V26A-D35A 0.273721507637611 I52A-W57A 0.272204133089982 A48A-K128A 0.271059055750994 V65A-F245A 0.270732133192539 S283A-Q367A 0.270615326353919 N281A-R339A 0.269298631637978 D385A-Y444A 0.269256008069437 Q277A-K422A 0.267624721315226 G378A-D385A 0.2673442661328 T112A-E122A 0.267004355748408 G405A-L432A 0.266709230109079 R117A-E123A 0.26664594160164 N318A-R442A 0.266259970679022 A316A-G378A 0.264304697314167 Q113A-A124A 0.264068053981113 A317A-R442A 0.263433533135061 M69A-G244A 0.262275799453692 E254A-V260A 0.259716692920508 S25A-L285A 0.258290757890229 L14A-V297A 0.258193560441388 V336A-L360A 0.257688135871765 V261A-Y397A 0.257191146249873 A295A-A317A 0.257172659028835 P59A-T256A 0.257091373577979 V336A-L361A 0.256517595185012 T36A-T129A 0.255730497464401 S55A-Q111A 0.255621276252784 L321A-G440A 0.255382425007161 V247A-A388A 0.255247509648335 L402A-G427A 0.254480039818657 A371A-A376A 0.254218462612697 G66A-A248A 0.253640574198698 A363A-A371A 0.253525605203299 S433A-Q441A 0.253142293768693 L22A-M291A 0.252583925468324 K9A-K16A 0.252257062805791 P290A-V372A 0.251303489641987 H391A-G440A 0.250856516827838 S51A-Q113A 0.249862069826993 R6A-M322A 0.249390568686043 N13A-S298A 0.249341921766757 V297A-G320A 0.247525178228246 S12A-P20A 0.246539357195367 V21A-S292A 0.24567729296889 V336A-Y366A 0.245307199816688 S60A-A249A 0.244830924488756 S298A-G382A 0.244500915742069 F289A-G320A 0.24433981068184 K8A-N318A 0.244278961703396 M288A-Q373A 0.243690747821216 A296A-A316A 0.243444753003046 I37A-V50A 0.243282325190256 R392A-A434A 0.243193322635162 V247A-H391A 0.242978191786818 I52A-T127A 0.242629655273638 T256A-L264A 0.241791005769824 P403A-W425A 0.241272236089981 G244A-D385A 0.241198690296642 I15A-P20A 0.240921287696177 I23A-M288A 0.24071668287886 L251A-T393A 0.239950485331521 R381A-Y444A 0.239936419727067 A48A-A126A 0.239425625626724 G41A-M47A 0.238783062718521 Q111A-F118A 0.237108666409517 R381A-M438A 0.236973009058422 P246A-L251A 0.236013648368347 H134A-P141A 0.235886525191076 V65A-V101A 0.235667266789025 M291A-R381A 0.235238382443666 T36A-T127A 0.234792445884044 P59A-Q111A 0.234694336348861 L325A-Q367A 0.234393318087513 L264A-P403A 0.234326950475178 A39A-A44A 0.234246756624977 Q373A-T387A 0.233217960583447 L67A-T387A 0.233082800685924 I37A-A48A 0.233016983205081 F258A-G401A 0.23293258086696 G401A-I407A 0.232291190835712 T36A-I52A 0.232039223158691 I52A-E122A 0.232036253482535 I299A-A316A 0.231175136067424 Q28A-Q147A 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