[Wed Aug 24 17:50:59 2016] >Input file: TM3TUJATD.pdb >TM segments: A58-84_A86-105_A150-177_A186-206_B58-84_B86-105_B150-177_B186-206 MAIDEN score = -52.4265 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 ----------- ---------------- A162B-G173B 10 L72A-P95A 1.8716153996252 L72B-P95B 1.29444289438995 I66B-L71B 1.19973921963976 I66A-L71A 1.19602154093958 R80A-A91A 1.08431146013535 F68B-Y160B 1.010247063257 F68A-Y160A 1.00350562975702 I155B-I203B 0.995938733661712 A162A-P67B 0.889033246120018 I155A-V200A 0.868806202670109 I70A-L193B 0.857240388187824 I69A-W74A 0.854079321554423 L193A-I70B 0.841287300962059 I155A-Q204A 0.830666702338672 I155B-V200B 0.829673579363789 Y177A-I70B 0.811990110404695 F103A-T153A 0.803077360006169 F103B-T153B 0.802323136708829 L193A-W74B 0.776100945083451 I66A-L193B 0.751357222768402 P67A-A162B 0.740351597634579 V83B-Q90B 0.736170030402126 I66A-L196B 0.716573571879721 T79B-V94B 0.694089508042746 W74A-L193B 0.685298360476871 V73A-G176B 0.672619526694645 G176B-V188B 0.637206774773713 I70A-Y177B 0.635621577492679 L96B-Y160B 0.629799655646974 L96A-Y160A 0.626871839741514 F63A-G99A 0.619487620345763 G159A-F68B 0.61898926081643 I87A-A92A 0.618210716328277 F63B-G99B 0.614755069619005 L71B-P95B 0.609363928366947 I70A-A162B 0.608704966502003 L172B-V192B 0.604724218893948 V73A-Y177B 0.599873617993728 F63B-P102B 0.592996151535551 I175B-V192B 0.575254580447099 R64B-I104B 0.572909592762259 V60A-P102A 0.569874259366204 I62A-V197B 0.569516717221204 S161A-G170A 0.565845048366032 G165A-Y177A 0.559448642166521 I155A-I203A 0.550008320155564 F63A-P102A 0.549262001739263 G176A-V73B 0.54219698890582 P67A-L196B 0.538745475584592 I69A-A162B 0.535569146552101 I155B-Q204B 0.532050458446799 V197A-I62B 0.528382283904396 G165B-Y177B 0.513514966617266 V60A-A105A 0.512543108743563 V197A-I66B 0.511330763166644 L96B-L157B 0.506398190527144 L172A-V192A 0.498071673125699 I66A-V197B 0.49755484304576 A100B-L157B 0.488653655742262 T151B-I203B 0.484569341609719 L154B-I203B 0.477636403305451 V83A-Q90A 0.474913991404179 T151A-I203A 0.467883501459028 L96B-S161B 0.464519647637442 W74A-N190B 0.460800429543213 L196A-I66B 0.460680060258982 L193A-I66B 0.460152505091565 F68A-G99A 0.456885394483225 F68A-G159B 0.45583042343012 G165B-I175B 0.453159816932016 F63A-V98A 0.453109149507458 G159A-I66B 0.452748236120828 L96A-S161A 0.448332489572157 R80B-A91B 0.446039436309806 S161B-G173B 0.437432642413123 T79B-G84B 0.435522450848605 L96A-L157A 0.432345371984948 L71A-P95A 0.4268042149015 A100A-L157A 0.420165012392889 A100A-T153A 0.419377601582551 S65A-Y201B 0.416137140929344 V158B-L196B 0.413267386345328 N190A-W74B 0.412271997696604 R64B-A100B 0.397283508168117 S161A-G173A 0.391696908334848 Y201A-S65B 0.390847584730074 V60B-A105B 0.386609661515742 A101A-A150A 0.379271456823899 A101B-A150B 0.378122240261495 S161B-G171B 0.370107171373453 A105B-A150B 0.368535773209028 G164B-Q174B 0.367282395481721 V188A-L193A 0.366043550973676 A92B-A166B 0.365416352643428 A92A-A166A 0.361247737928695 Y177A-V73B 0.359621793673259 G159A-Y201A 0.357918259878168 Y201A-V60B 0.356084817579605 Y177A-G164B 0.355737980039024 A162A-L172A 0.355464387617896 S86A-A92A 0.352149775408919 I69B-G164B 0.351278564012093 A162A-Q174A 0.351142671096485 A162B-Q174B 0.348912334254771 A162B-L172B 0.346414721524719 S161B-A169B 0.346124064213479 A166A-G173A 0.340436557094963 G159A-Y177A 0.340344246886144 A169B-Q174B 0.337251986355743 P77A-N190B 0.333385059778606 T79A-G84A 0.332160135718717 A166A-G165B 0.329948384527053 S161B-L172B 0.329900863001756 T79A-V94A 0.32854507126508 V60A-Y201B 0.328205312281895 A100B-T153B 0.328055233790143 G165B-L172B 0.327467500335025 R64A-I104A 0.325345681648226 I69A-Y177B 0.321615949992069 I69A-G164A 0.32069112843656 I70A-G173B 0.320646368556261 V81B-S86B 0.318776148369847 V167B-Q174B 0.318393460191044 F68B-G99B 0.317918032560202 V158B-V200B 0.31573072252541 A92A-G99A 0.315115314228378 A166A-G164B 0.314348100283113 A92B-G164B 0.313635882748139 G99A-G159B 0.313206523771024 G159A-G159B 0.312775165067108 P67A-P67B 0.312568704916229 G159A-G99B 0.3116548076051 R64A-V98A 0.310972388201158 G84B-A92B 0.309448945471312 I175A-V192A 0.308364686733991 G173A-I70B 0.306995919761121 A91A-A169A 0.306382251858217 A100B-S161B 0.30459599196023 S161A-L172A 0.3045625418064 G159B-A166B 0.304291165134067 A105A-A150A 0.302373359982957 Q90A-A169A 0.301148154765638 I69B-Y160B 0.299725937914522 G168A-Y177B 0.299035823392782 I104B-A150B 0.299017316881041 A100A-G159A 0.298293522398804 L72A-L96A 0.297140161759786 P102B-T156B 0.296083237020961 V197A-S65B 0.295742812015025 T187A-P77B 0.295594616712223 L193A-L71B 0.294899427850462 G165A-A166B 0.294608115601101 L172A-L196A 0.294578829748947 P67A-T156A 0.293592125539774 P67B-T156B 0.293272212824174 I104A-A150A 0.292763386692711 V60B-P102B 0.29270249200545 A92A-A162A 0.292296614030097 P102A-T156A 0.292193630074525 G88A-S161A 0.291456925478793 A92B-G99B 0.289932963405349 L157B-G173B 0.289180752030224 L72A-G168A 0.289116898926119 V158A-V200A 0.287305955188095 V158A-L196A 0.286495307203873 A92B-A162B 0.28619792174996 I87A-V167A 0.285405062619084 S161B-G176B 0.28512921842372 P77A-S86A 0.284837966963504 G165A-L172A 0.282823581212917 Y201B-A206B 0.282229601196768 V73B-V167B 0.281295405749832 N61B-P67B 0.280141796233933 G159B-L193B 0.279740150535664 G171B-L195B 0.279019087564931 V158A-P67B 0.278392680770838 A91B-A169B 0.278078909152169 L89B-G173B 0.277273072782467 G159A-L193A 0.276526151702109 L96A-G165A 0.275317020968269 T153A-P67B 0.274175074550333 L71A-G173B 0.272835383877716 Y177A-P77B 0.270687045518035 A100B-G159B 0.269591679043661 L96A-G170A 0.267357531724695 R64A-G99A 0.26659752097449 G88B-A166B 0.266550000845013 L89A-G170A 0.26385873333059 V167A-Q174A 0.263585882213023 R64B-P102B 0.261566416319063 G173B-L195B 0.261144401748499 G99B-S161B 0.260468694556506 Y160B-G168B 0.260466165352009 L71B-G99B 0.259457658138289 G88B-S161B 0.258076104762305 P67A-T153B 0.257550300849664 G159B-Y177B 0.256906746341716 G84A-A92A 0.253260489918849 I104B-T153B 0.252636453672308 L72B-L96B 0.252325770760418 G173A-L195A 0.251931493638234 Q90A-G164A 0.249700951497549 L89A-P95A 0.249001903899916 L154A-I203A 0.247781825702407 Q90A-G171A 0.246457499662485 G159A-Q174A 0.245127466467166 L172A-Y177A 0.244073804796078 S161A-Y177A 0.243030529740978 S161A-G176A 0.242121932342135 P67A-L199B 0.242054453780324 Q90B-S161B 0.242053622282471 P67A-L172B 0.241605857149429 L96B-P102B 0.241461776227161 G165A-I175A 0.241329936698493 N61A-P102A 0.240719990778964 A100A-S161A 0.240239472555841 T97A-L154A 0.238026187455222 V194B-L199B 0.237505583371888 I66A-G159B 0.236787325096193 G176A-V188A 0.23640230225312 L71B-T97B 0.235322242150711 L71B-P77B 0.233410461131321 A91A-G165A 0.233312027973026 I70A-V192B 0.233222263351259 L71A-L193B 0.232557110245197 G159A-I69B 0.231422956488485 I66B-V73B 0.231396194302707 Y177A-I69B 0.229954719681025 G173B-N190B 0.229770312106989 I87B-G168B 0.229102007053252 T97A-P102A 0.228682299140847 P67B-L157B 0.227408194943937 I70A-V167A 0.226773597996352 V188A-V194A 0.226446706994022 I69A-V192B 0.225986652173779 I66A-V73A 0.221846079134187 P95A-L157A 0.221805690978131 G176A-L193A 0.22167643271564 R64B-G99B 0.221273005823387 P77B-P95B 0.220717276299438 L96A-P102A 0.220693382388709 G165A-Q174A 0.220400758684454 A169B-Y177B 0.219230502756578 I152A-G159A 0.219075970457657 F68A-G176B 0.218801456456189 A92A-G173A 0.217790834999693 R64A-F103A 0.216891555002846 V73A-G168A 0.216072386029643 G84A-V94A 0.215941492845253 N190A-P77B 0.215231241861924 A162A-S65B 0.21504538371024 L71A-G99A 0.215031561289758 Q174B-T191B 0.214034038233001 G159B-Q174B 0.213553155545806 I87A-A169A 0.213531808336124 S65B-A100B 0.212415962683139 G99A-G159A 0.212162172391063 S65B-P95B 0.212057220928465 G164A-A169A 0.211403786810588 L96A-T153A 0.211338476186946 G99A-S161A 0.211255806883508 I152B-G159B 0.211244102672132 F63A-V194B 0.209910795309594 G164B-I175B 0.209869412245629 I70B-G164B 0.208854374881677 V94B-S161B 0.208763025274036 V94A-G164A 0.208579253044774 A92B-G173B 0.208140848696704 T79A-G99A 0.207189724092593 G88A-A166A 0.206676414427291 L89B-G170B 0.206664669510001 T97B-L154B 0.206419746034813 S65A-P95A 0.205505481700516 V73B-I87B 0.204474671659143 I69A-V158B 0.204247043547538 Y160A-G176A 0.204155725860566 I93B-T156B 0.203472552840385 I59A-V98A 0.20284787412634 G171A-P67B 0.202682505288837 N190A-L72B 0.202183196180805 A91B-G165B 0.200474720027877 G88A-I93A 0.200004343033312 A100B-A150B 0.198220602627629 G173A-N190A 0.197982256992919 L172A-P67B 0.197948781277327 W74B-G99B 0.197943773611456 G164A-Y160B 0.197598472882717 P67A-V158B 0.19657922057908 I70A-T79A 0.194551098399026 V81B-I87B 0.194259988370847 L157A-G173A 0.194030142462376 T97B-I155B 0.192362561166396 G173A-L71B 0.191565034336275 S65A-S161B 0.190014023040741 G176B-V194B 0.189973046605815 F78B-A92B 0.188931603400147 T151B-Q204B 0.188874995426888 W74A-G176B 0.187315561109325 Y160A-S65B 0.187109940234202 T151B-T156B 0.186891869349564 L72A-G164A 0.186852744752917 Y160A-Y177A 0.186136629445139 I69A-T156A 0.186044112333665 G164A-Q174A 0.184954918150628 A169A-I175A 0.184736879461387 I175B-V188B 0.184001424196371 S86A-S161A 0.183740499292888 V73A-Y160A 0.183722439809141 I76A-A186B 0.183417768519964 Y177A-N190A 0.183396317139893 F68A-A162B 0.183170454760656 W74A-R80A 0.182652552859616 S65B-A105B 0.182306648071835 F63A-T97A 0.182270498322178 T151A-T156A 0.18204662341387 N190A-F78B 0.181344791539149 S86A-G164A 0.181067898358523 I59A-A105A 0.180765801507186 G165A-Y177B 0.180634482265408 L96B-G168B 0.17962897922933 W74B-R80B 0.179602165966569 V83A-V94A 0.179304478707811 P67B-L96B 0.179001760866517 R64B-F103B 0.178052334190888 Y160B-G176B 0.178040981229565 W74A-V192B 0.177904126907331 I93B-V158B 0.177600382566677 T79B-P95B 0.177276700492758 G84A-G168A 0.177194783250848 P77A-G176B 0.177088174954537 I62A-V98A 0.176656812783409 P77A-G88A 0.176567087027204 A162A-Y177A 0.176387556428411 P102B-L157B 0.176247977931023 I76A-P95A 0.176167501700198 L71B-T79B 0.17493771564213 P67A-L96A 0.17488310416465 L71A-P77A 0.174851017998934 I59B-A105B 0.173975841597144 G159B-G176B 0.173512562403093 I87A-G170A 0.173479089522132 G99B-G159B 0.173354475163717 L72B-G88B 0.173158652211979 G88A-L172A 0.172793854844227 A186A-I76B 0.172419459470011 T151A-G159A 0.17235656695251 I155B-A162B 0.171815225204349 G159B-Y201B 0.17013305469383 A100A-I152A 0.168166141868208 I82B-A92B 0.168060166642307 I66B-T97B 0.167937622203226 L72A-G88A 0.167816682126221 S65A-Y160B 0.167807416277757 L72B-V167B 0.167670056317856 S65A-A101A 0.167492821930278 S65A-A162B 0.166875647685806 G99A-A162B 0.166729529967807 A150B-V200B 0.166610311659237 L199B-Q204B 0.166028628312075 V158B-I198B 0.165984968981014 A91A-G173A 0.165751207000545 I82B-T97B 0.165510053377464 L199A-Q204A 0.165283177243985 A91B-G173B 0.164560233563165 I66A-I203B 0.164476351427235 G99B-A150B 0.164346671119832 A58B-G99B 0.163628849611882 I66A-N190B 0.163227356551915 V158B-L172B 0.163222645408048 P67A-T97A 0.162605816601584 L72B-G164B 0.162410969391486 G164A-G176A 0.162115816875085 I66B-A100B 0.162109137693966 G176A-I70B 0.161866527580156 G176A-W74B 0.161858053509905 Q90A-S161A 0.161817733940416 A58A-G99A 0.161636831452177 A162A-G165B 0.161636831452177 Q90B-G165B 0.161352298364332 L72A-G170A 0.161022584529393 V73A-V98A 0.161018587530427 L172A-W74B 0.160862878682194 I175A-N190A 0.160855286814516 Y160A-V197A 0.160453925073728 G164B-G176B 0.160002551441456 I69A-I93A 0.159579144454005 I93A-T156A 0.159571963913706 Q90B-G171B 0.1589598939405 I76B-T97B 0.158932027562931 L172B-Y177B 0.158815352926532 G170A-P67B 0.158239634968908 A150B-G159B 0.158170262084561 A186A-F78B 0.158163840669335 V81A-A92A 0.157676207697189 V158B-V194B 0.157669766762923 A100A-I155A 0.157203669872292 P67A-N190B 0.156665950446965 G84B-P95B 0.156664161584739 W74A-L172B 0.156488008757208 N190A-L195A 0.156461455285719 I70A-T156B 0.155910472365663 G168A-G176A 0.155273120472302 I62A-I70A 0.153876633591974 L89A-A169A 0.153538536958353 G176A-P77B 0.15275140509181 Q90B-G164B 0.152389246674212 I69A-T79A 0.152023539803902 S161A-S65B 0.151519512640601 F205A-N61B 0.151316875436576 G173A-L199A 0.151231463028334 G159B-G171B 0.150633545118108 G173A-W74B 0.150591757750663 I87A-A166A 0.150504214632827 I155A-A162A 0.150327533377632 I70B-T79B 0.150323605187744 I104A-T153A 0.150300288266857 A162A-I70B 0.150151971585869 I62A-A100A 0.150127909540085 I87B-A92B 0.150061938024298 W74A-G99A 0.149995381391381 A186A-I70B 0.149912959961404 G84B-A91B 0.149394175807936 A162A-I69B 0.149287389114274 L96B-G170B 0.149270215776788 N61A-F205B 0.149245602729763 I69A-G159B 0.149132882685543 V158A-V194A 0.148251287141778 T97A-I155A 0.148217179798281 I152B-I203B 0.148079423312163 I198A-A58B 0.147830258861753 G168B-Q174B 0.146923373055764 G159A-G170A 0.146281905730504 P95B-G170B 0.146089553762659 P77A-Y177B 0.145985409336243 V81A-S86A 0.145589599351522 I87A-G168A 0.145543771650277 A169A-Y177A 0.145052740812142 A169A-Q174A 0.144804956515326 R80B-A169B 0.144753059688775 P102A-L157A 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