[Wed Nov 23 03:57:08 2016] >Input file: TMB1B3L4E20D.pdb >TM segments: 34-57_ 104-124 MAIDEN score = -12.2126 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 ----------- ---------------- C106 -I111 0.493295262942203 I115 -K120 0.385574410807173 K37 -A45 0.253176334636476 T107 -I115 0.194148155369863 L34 -T42 0.185525637845624 A45 -I51 0.183105874128381 N35 -M43 0.183008383861182 W39 -G46 0.175482190186757 K37 -L44 0.174148019902911 F50 -F55 0.167467369995254 N104 -I109 0.161519586028341 V114 -F121 0.153202860630535 A45 -K120 0.152151574498427 W39 -L44 0.145840881838555 N104 -W110 0.142894325765872 I111 -I116 0.137669016840955 I48 -I116 0.135297236012128 Y36 -L44 0.128269667343756 I115 -K123 0.123930543352695 L41 -P49 0.122610168206363 C106 -L113 0.114864993843973 T107 -V114 0.110976677318381 P49 -S56 0.109783216549276 L34 -Y40 0.0951229546977685 I105 -I111 0.0914070322820209 V112 -K120 0.0781319845441755 T42 -K123 0.0707188300176895 W110 -S118 0.0702636999505519 W39 -L47 0.066842717801979 A45 -P52 0.0654081844882164 A45 -L113 0.0624757655963748 V108 -I116 0.0623708343884273 L113 -L122 0.0596275408343505 G46 -I51 0.0570811552744885 I105 -V114 0.0564678461045762 P49 -K54 0.0524338207505073 V38 -K123 0.0492580207987432 L117 -A124 0.0491059606651199 I48 -L113 0.0487325078439316 W110 -F119 0.0333851781114771 T107 -V112 0.0332241864831451 T42 -K120 0.0324652681521316 F50 -F57 0.0299013937260577 Y36 -L41 0.0255079804111586 I111 -K120 0.0224711308602779 G46 -P52 0.0186504707562218 T42 -F50 0.0171058760951185 A45 -K123 0.0166130329635124 I51 -S56 0.0136994592773085 I111 -S118 0.0119868880514851 N104 -I111 0.0105752452822676 L113 -F121 0.0085877363418847 L47 -F55 0.0085158777164609 L113 -S118 0.00755728918261589 G46 -I53 0.00063021122170781 A45 -F50 -0.00252141962007291 G46 -K54 -0.00472046763403133 P49 -K120 -0.00511282292987536 L34 -W39 -0.00715687308968427 V38 -G46 -0.00767366685271398 W39 -I48 -0.00801411358842685 Y40 -I48 -0.0110707795681781 N104 -V112 -0.0183322548182292 L41 -F50 -0.0260279563360264 I109 -I116 -0.0281435440473281 I105 -L113 -0.0286507282475643 V114 -L122 -0.0286587374954745 M43 -I51 -0.0310928387963401 P49 -F55 -0.0311794384306795 V108 -I115 -0.033783142762208 T42 -I51 -0.0356302684877847 V114 -F119 -0.0372554478994633 N35 -T42 -0.0386568835983767 V114 -K120 -0.0432351203483821 L44 -P52 -0.0432935054181316 N35 -A45 -0.0433652627340813 Y36 -M43 -0.0470968222525135 P49 -F57 -0.0473338457780024 L34 -K123 -0.0488945983711233 L41 -F119 -0.0562086473813501 I109 -S118 -0.0587068186497666 M43 -I48 -0.060795423611463 I111 -F119 -0.0607964396424991 F50 -S56 -0.0666320386844639 L41 -I116 -0.0675461488078746 A45 -I53 -0.0727961632795129 V108 -L117 -0.0744660360452079 W110 -L117 -0.0752527624615862 I48 -F55 -0.0775075005984593 L117 -L122 -0.0798586576956311 I116 -A124 -0.0846725239389086 Y36 -T42 -0.0855869367784827 A45 -F119 -0.0909117498999468 L41 -I48 -0.0927677966025904 L44 -I116 -0.0928419362498545 V112 -F121 -0.0949836734478193 L34 -M43 -0.0952082640695251 V112 -L117 -0.0952638709064413 A45 -I116 -0.0967735336825533 L44 -P49 -0.101300599755406 V38 -L47 -0.105390306689539 I48 -S56 -0.107433654363255 Y36 -A45 -0.108382913313977 K37 -T42 -0.112809468904765 C106 -V114 -0.113010247136519 C106 -V112 -0.113508924098091 I48 -K120 -0.114588896578037 P52 -F57 -0.115132664252774 P49 -I116 -0.115192569418566 V112 -F119 -0.117172826727167 W39 -A45 -0.120877091891473 M43 -F50 -0.125685997767836 K37 -G46 -0.13565078084737 N35 -L44 -0.137094926141685 L44 -I51 -0.143829612136647 L41 -K120 -0.146974474561823 A45 -L117 -0.147475398867841 V108 -L113 -0.149082454559952 I115 -A124 -0.15125001998753 L47 -I53 -0.151543885271969 M43 -P49 -0.163786743511057 I109 -L117 -0.164061425172659 Y40 -L47 -0.166785725009285 W110 -I115 -0.167390788434066 S118 -K123 -0.170223595648009 L47 -K54 -0.173916992092563 I105 -V112 -0.174224547244092 L113 -K120 -0.174976082112664 K37 -M43 -0.175532747515265 Y40 -G46 -0.176482044338574 L41 -K123 -0.184624220311958 I116 -F121 -0.187357204609412 L34 -L41 -0.190408352661653 S118 -A124 -0.19503854838134 V114 -K123 -0.20872974768946 T42 -P49 -0.212852720561596 V38 -L44 -0.217464359858889 L44 -F50 -0.217599699065513 L117 -K123 -0.227703827064521 T42 -I48 -0.240977204730322 I116 -L122 -0.252176722640677 N35 -L41 -0.255593931899435 I115 -F121 -0.265483362898116 I51 -F57 -0.268926856705024 L113 -F119 -0.274282592490593 C106 -I115 -0.275631757333137 Y40 -A45 -0.278904566731026 T107 -L113 -0.286920220866214 I116 -K123 -0.300020063528187 V112 -S118 -0.302897090021081 N35 -Y40 -0.3075406075423 T42 -L47 -0.317925464890892 I115 -L122 -0.322573124638101 I48 -I53 -0.332847282586284 W110 -I116 -0.33924900491253 I105 -W110 -0.34520510127869 I109 -I115 -0.350383387791014 V108 -V114 -0.353139292147929 I48 -K54 -0.356970902344407 V38 -M43 -0.358781098210052 V38 -A45 -0.360310641910484 I111 -L117 -0.363287053898872 L41 -G46 -0.394560860832543 F119 -A124 -0.418718664364158 L47 -P52 -0.431447103279007 I109 -V114 -0.446432194559192 L41 -L47 -0.452618963246283