[Wed Aug 24 18:40:33 2016] >Input file: TM4GRVATD.pdb >TM segments: A56-75_A104-138_A140-169_A181-202_A238-259_A313-330_A342-365 MAIDEN score = -63.7201 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 ----------- ---------------- C320A-L357A 10 N127A-H133A 1.28202621315108 W135A-C142A 1.18470898060025 F246A-H325A 1.05831788276023 C320A-S361A 1.04997239651347 F246A-W321A 0.992672770064539 I116A-R149A 0.957940868236944 T59A-Y349A 0.948650247639353 L158A-I193A 0.938929755687026 H105A-I190A 0.885339767770763 D150A-L200A 0.848187004342286 I253A-V314A 0.832637543112384 Y324A-T354A 0.795455361473543 L158A-P249A 0.758614297643601 N159A-I193A 0.753647092256873 D113A-A363A 0.751600075532281 I116A-S362A 0.748946513169715 V123A-F128A 0.719483780233189 N257A-V314A 0.712158949969023 I116A-C152A 0.699851429602711 I129A-M352A 0.694559937633315 Y324A-L357A 0.692303912759745 I238A-L329A 0.689928755165041 Y154A-L200A 0.683404855973982 A151A-L200A 0.674895744834904 Y104A-K187A 0.670135702529313 L117A-Y359A 0.669564938547343 A120A-Y145A 0.669436543650443 L119A-Y145A 0.669248928121233 D56A-H348A 0.646248913326535 A157A-P249A 0.642639622840345 D60A-H348A 0.641744597313919 I116A-M121A 0.640861931380773 K64A-W130A 0.634927792526465 S112A-C152A 0.629809731544238 D56A-H133A 0.625967749450357 F243A-F248A 0.621113378726258 L74A-Y359A 0.61120782800212 C320A-T354A 0.58223365341717 Y168A-N257A 0.564985401834635 L125A-W130A 0.536924472196206 T59A-H348A 0.535839565488105 V57A-H348A 0.532260828579595 V165A-L256A 0.52460111646559 Y154A-A196A 0.520882434048779 Y154A-A201A 0.520431876310213 H105A-L163A 0.519864637544793 I238A-R328A 0.519605950655846 L114A-S362A 0.519489453122365 F246A-L322A 0.514622308315723 D345A-F350A 0.514404947526306 N257A-V313A 0.510932424717795 F75A-A363A 0.508968920791877 A157A-F246A 0.498822306975918 L117A-S362A 0.498274268517437 L158A-S245A 0.497364935109145 A151A-W194A 0.492811994528699 F147A-I202A 0.490344304100907 A155A-W194A 0.488239159021028 N127A-W135A 0.481016321900677 Q239A-L329A 0.480868041032169 R185A-I190A 0.470601368457507 A316A-N365A 0.469489991820856 Y71A-Y359A 0.467568338545385 T59A-D345A 0.467497342433959 R327A-F350A 0.463559107411689 L119A-R149A 0.460083582311794 N159A-I190A 0.457103574377472 N127A-A136A 0.447277154564808 L148A-A201A 0.445762581343998 H105A-N159A 0.44160046455692 A316A-S361A 0.441534246410598 K64A-M352A 0.434724314857562 D113A-C152A 0.432283751355737 R167A-L256A 0.426020946493288 I116A-T153A 0.42572451317793 Y126A-V131A 0.425691610139557 R327A-Y347A 0.424338393991456 F75A-L117A 0.42327960893776 S164A-V252A 0.421799791359255 C152A-H325A 0.421293907615974 E124A-I129A 0.419538708716821 M250A-H325A 0.418783306631513 L117A-P122A 0.408265164433967 V67A-A356A 0.40701764581403 Y168A-V259A 0.404643486870518 Q239A-H325A 0.399192639823515 A140A-Y145A 0.396435242731528 H105A-S184A 0.393144174492323 V165A-V252A 0.391348656454273 T153A-S245A 0.388679961049916 T68A-E124A 0.386103817761193 M330A-H348A 0.385015837170185 Q239A-Y324A 0.383161595784502 L322A-R327A 0.379034060263702 A157A-A358A 0.376554997575528 L115A-R149A 0.374787786730192 P122A-N127A 0.370503217431751 N127A-P134A 0.364428747631894 S108A-I190A 0.362132319595052 P323A-N355A 0.361005949513483 P323A-S361A 0.360159958192633 N58A-K64A 0.358742050696597 H105A-K187A 0.358629250383617 V67A-L353A 0.357595137150712 D113A-R149A 0.35268270146943 A157A-A196A 0.351801552269503 S164A-I253A 0.34734164709122 D150A-A198A 0.342648999803639 E124A-G141A 0.340802828546777 M250A-V314A 0.340348126643353 M244A-W321A 0.338637052924121 V319A-M352A 0.336433635386711 K64A-I129A 0.33634518951477 W321A-L357A 0.335778750402262 T68A-L125A 0.33494442421779 I70A-A356A 0.333326966625838 P122A-N355A 0.328427955169762 A120A-G141A 0.327457141830469 S112A-A120A 0.322091162879425 A166A-K187A 0.320011295837232 L109A-A155A 0.318334282070275 D113A-V160A 0.318031068959088 S112A-A363A 0.317670504023275 H133A-C142A 0.316105117853885 D60A-V67A 0.315786271022642 I116A-Y359A 0.313753737240469 A120A-L148A 0.312163540883128 P122A-W130A 0.31080496562767 A161A-M250A 0.308853122006704 W321A-S361A 0.308682640730615 Y104A-R167A 0.308081974842099 H105A-C152A 0.307888008770574 R143A-D150A 0.307500727188134 L115A-A120A 0.3063643391321 N58A-M352A 0.30459689026797 R143A-L148A 0.304522810108432 Y168A-V314A 0.300873666233485 S162A-A192A 0.300455242720863 C152A-S197A 0.299414331268148 L109A-V160A 0.298894290044135 N241A-R327A 0.298274826786423 R149A-Y324A 0.297514268819109 T156A-C320A 0.296958482557393 A120A-A151A 0.296384087734765 L119A-L148A 0.295049346529262 R327A-T354A 0.294110647330849 V160A-I253A 0.29125497076847 Y168A-L256A 0.289910859762653 L119A-G141A 0.289396826391468 A151A-L199A 0.289069074789323 P249A-W321A 0.288980220361908 W321A-N355A 0.288956165816594 P122A-Y146A 0.286786524134862 I253A-V313A 0.286534429669377 C152A-N241A 0.280532329009975 N241A-F246A 0.279318950511261 Y104A-I190A 0.278969000506888 T153A-C320A 0.277836815681356 V57A-V131A 0.277350936576261 S63A-H348A 0.276811533359296 V319A-L357A 0.272919732734018 D113A-L118A 0.271507617787958 D113A-T156A 0.26974994148199 Y146A-R328A 0.267819391221613 H132A-Y349A 0.26681072121091 T59A-K64A 0.266061291171522 H325A-Y347A 0.264581899264236 R143A-I202A 0.263938455821545 T59A-T68A 0.263903195768131 R328A-M352A 0.263730763219572 E124A-C152A 0.26092225797433 D113A-Y359A 0.256504073980683 K188A-I193A 0.255237176147201 Y71A-S362A 0.253010844898318 S197A-N241A 0.252787770900619 N159A-S245A 0.252070734964413 C320A-A358A 0.25125426154308 R149A-A358A 0.250018047055296 L115A-C152A 0.249558657311236 W321A-V326A 0.248756572786479 H325A-L357A 0.248228310326646 M244A-P249A 0.248167838289919 S108A-A157A 0.247711438227002 A151A-S197A 0.247407128545513 N159A-S191A 0.246885414739016 E124A-P134A 0.246413773571566 Y324A-S361A 0.246393771892564 G138A-Y146A 0.243556757049507 N241A-M250A 0.243294428811867 Q239A-M330A 0.243135864575969 G107A-D113A 0.242469332260415 N159A-P249A 0.241842118629057 K64A-H132A 0.241657706550109 T68A-L353A 0.241398569482449 Y145A-D150A 0.24100641379998 T153A-T354A 0.240126377871582 L163A-P249A 0.239212476536414 L114A-T153A 0.239135913429217 R328A-Y351A 0.237569602252897 Q239A-F248A 0.236870357580547 L163A-T186A 0.236033130994782 T156A-T242A 0.235544820614407 A120A-S362A 0.235199470868277 F317A-A363A 0.234515139227521 H325A-Y359A 0.234469102624827 V252A-N257A 0.234180796193647 Y154A-F317A 0.233423912726555 V313A-N365A 0.232747578026026 Y154A-M244A 0.232608386514993 Y104A-A166A 0.231205353815978 R149A-Y154A 0.23050570162513 D150A-A155A 0.230151952634421 L163A-Y168A 0.229564221327323 S162A-S184A 0.228613162263241 S245A-S254A 0.228160819306332 L200A-T242A 0.227287539128481 N127A-G141A 0.225680922684807 N58A-S63A 0.22533801802384 N159A-W194A 0.224274667252895 N127A-G138A 0.221832018103624 A155A-F246A 0.220217757284485 V318A-Y359A 0.22016395203108 R167A-M181A 0.219260543502292 I61A-V131A 0.218794975772481 T153A-S197A 0.217172650251433 F317A-S361A 0.216861285159977 Y104A-S162A 0.215832585842517 P122A-S362A 0.215307540598704 V160A-M244A 0.214388447369544 V165A-M181A 0.214228218770551 F243A-M250A 0.21367305809414 G107A-N365A 0.212596152239197 Y154A-H325A 0.210655216996867 L200A-N241A 0.210155019011366 H105A-A155A 0.209925052975734 V57A-F342A 0.209688572685189 V314A-S361A 0.209654037782477 Y154A-Q239A 0.208638243508165 L117A-T153A 0.208557136090548 S112A-T153A 0.20779137265282 A198A-S245A 0.206999881216771 G107A-T186A 0.206788509346256 Y146A-N241A 0.20655669887729 P249A-S361A 0.206099026514368 L109A-T156A 0.205982173892316 D150A-A196A 0.205116476213725 L74A-S361A 0.204480712407204 A110A-S361A 0.203478777405716 V123A-Y359A 0.202578178165201 P323A-L357A 0.202523006262709 N241A-L247A 0.202365684041903 S164A-L256A 0.20228201125846 L74A-M352A 0.202101265303317 V319A-I364A 0.200946503939745 H132A-Y347A 0.200496530117924 L118A-V123A 0.199764144941418 S245A-Y324A 0.196825588639393 V67A-L125A 0.195365556315191 T186A-W194A 0.19525827313019 V160A-P249A 0.194978092212185 R149A-N241A 0.194738486408132 N159A-R167A 0.192858665304347 Y324A-N355A 0.192092698494996 M250A-V318A 0.191934995433474 P134A-C142A 0.191773670343787 L72A-N355A 0.19167024309653 T156A-A201A 0.191625162673802 V67A-M352A 0.191604257499294 T153A-A360A 0.191586614804421 N241A-L322A 0.191462205536672 T156A-A316A 0.191344930945253 S245A-V318A 0.190648456946661 N355A-A360A 0.190066828844596 L72A-M352A 0.18959469721074 R327A-A358A 0.189048010753181 C152A-W321A 0.189034497571541 I253A-T258A 0.187946576372717 F243A-Y324A 0.187842121469105 C320A-Y359A 0.187118959255695 Y71A-Y351A 0.186890855066439 P249A-N257A 0.186597839383299 Y126A-Y145A 0.18649793864332 T242A-L247A 0.185990390223533 R327A-H348A 0.18575060098426 Y168A-M181A 0.184757445510166 A110A-I364A 0.183660639795369 H132A-Y351A 0.183353405479371 L74A-A360A 0.182895805671497 K187A-L195A 0.182802718413396 W321A-R328A 0.182704184831118 W321A-M352A 0.182651435057237 N58A-F350A 0.182113723797497 R149A-N355A 0.182083205064804 F246A-F317A 0.179728488605773 A151A-A201A 0.179410656612921 W135A-R143A 0.179266228823343 G107A-V160A 0.178576238965332 T68A-A360A 0.178567777741669 Y154A-S191A 0.177807397346876 L199A-S245A 0.177556684999641 E124A-W130A 0.176109201225463 R328A-D345A 0.175902806787934 L115A-S361A 0.175527875164842 Y168A-V313A 0.175124439031435 M121A-W130A 0.174361102227826 V65A-Y349A 0.1740920638906 Y71A-F128A 0.174024253495572 Y324A-A360A 0.173210207298859 P249A-L322A 0.172588855076305 A155A-S362A 0.171342374186002 Y146A-S197A 0.168826669097428 Y126A-G141A 0.168730394776717 Y154A-S362A 0.168555554179158 Y71A-L125A 0.168366040593375 V165A-I253A 0.168057214041315 G144A-D150A 0.167972730598783 I116A-V123A 0.167968108367841 A151A-I202A 0.167838196611397 L119A-E124A 0.167813491829483 L200A-V240A 0.167504174268696 Y104A-S182A 0.166255550520261 L111A-S191A 0.166093033746098 V240A-V326A 0.165605083930179 V57A-F344A 0.165158390053567 Y104A-S112A 0.164210446974036 A161A-I255A 0.164142697642002 I116A-N355A 0.16365895561201 V131A-H348A 0.163058762601765 M352A-S361A 0.162548573774563 R185A-A192A 0.161693677833594 G107A-A192A 0.161636831452177 K64A-E124A 0.161512867436412 V313A-A363A 0.161428450191617 D56A-K64A 0.16095846490167 S162A-K188A 0.160695707993018 I315A-N365A 0.160345885051619 L357A-S362A 0.160204765833383 C152A-I202A 0.159730807255216 L117A-N365A 0.159188576210794 V65A-A356A 0.158897922811827 I70A-I364A 0.158500924942451 I116A-A360A 0.158067258830506 S63A-L125A 0.157446744971877 S112A-L195A 0.155037793983739 M121A-Y351A 0.154876095517758 D60A-T68A 0.154648457960492 C152A-L199A 0.154274555381412 A151A-T242A 0.153989456030288 Y71A-C320A 0.153597770618193 D113A-A151A 0.153432666974529 V160A-F246A 0.153285474260339 L106A-L163A 0.15304427629238 V326A-Y349A 0.152713532997011 Y154A-S361A 0.152613862099293 T242A-P249A 0.151956413020328 T156A-P249A 0.151882046323689 Y145A-Y154A 0.151350462980185 V326A-M352A 0.151271443754403 L251A-V314A 0.151093961544547 Y154A-Y359A 0.150790898231048 N127A-M352A 0.150646085785728 S108A-S184A 0.149977082586416 I129A-A136A 0.149934454225743 H132A-C142A 0.149845245094188 T68A-T354A 0.149648525282763 F317A-L322A 0.149421592839916 A155A-I193A 0.149410370713851 L163A-K187A 0.14879205345419 L158A-W321A 0.148508710826831 F75A-A120A 0.148489704194754 S245A-A358A 0.14840020553093 L109A-S197A 0.147545034856559 H325A-A360A 0.14712402367434 D150A-A157A 0.146921132464448 H325A-A356A 0.146776517812611 N159A-S197A 0.146683094107795 R149A-S245A 0.14662591873966 V123A-H133A 0.146051607253838 T156A-A360A 0.145864570999318 A73A-S361A 0.14566161727586 A161A-M244A 0.145484528349016 A161A-I253A 0.14499131188386 S162A-V252A 0.14495465573159 V160A-I190A 0.14493845148402 Y168A-S182A 0.144492637966677 A161A-T258A 0.144315952362592 M250A-Y324A 0.14430715203915 Y62A-Y71A 0.144016121509171 I315A-I364A 0.143809866580201 Y71A-Y349A 0.1436430860401 V57A-H132A 0.143413820514946 R143A-A151A 0.142052182319894 T156A-A192A 0.141930315526321 N159A-M244A 0.141872023385971 L106A-N159A 0.141788892808893 F246A-S361A 0.141518262528765 K64A-D345A 0.140923443952818 Y168A-M250A 0.140917037921988 P122A-L148A 0.140050321269738 A166A-I253A 0.139688527553212 Y347A-N355A 0.139496720921193 Y71A-A120A 0.139271436469576 M121A-Y324A 0.138949778446029 S108A-L195A 0.138839732753658 L353A-S361A 0.13872073305646 Y324A-Y359A 0.138192858811262 C152A-S191A 0.137962979952722 V67A-A358A 0.137777732269927 L251A-W321A 0.137288781102248 I129A-A356A 0.137183883781018 Y168A-S254A 0.136589169336879 V57A-S63A 0.136189260247471 V240A-R328A 0.135923790636955 S162A-V313A 0.135604154088166 A157A-S254A 0.13507147612729 S112A-S245A 0.134002367517046 F246A-V319A 0.133922900962021 E124A-R149A 0.133826525335351 N127A-N355A 0.133592588753171 A155A-A358A 0.133453401338484 L118A-C152A 0.133444947648026 V318A-S362A 0.132952263356801 V319A-H325A 0.132926058990034 A110A-A360A 0.13279516405523 I61A-Y126A 0.132373862077482 T242A-T354A 0.13226515393614 A155A-N241A 0.131876584419165 S182A-K188A 0.131834536967467 S108A-S164A 0.131770697658034 I255A-V313A 0.130979090773238 S197A-F246A 0.130938216506501 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