[Mon Aug 29 17:48:20 2016] >Input file: TMQ8R2I1M1G.pdb >TM segments: 15-35_ 37-66_ 83-100_ 113-128_ 147-163_ 301-316 MAIDEN score = -22.7031 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 ----------- ---------------- Y23 -C56 2.18745301831212 L33 -D39 1.40898475233965 T59 -Y118 1.25352004225083 S29 -L43 1.2138897845929 L38 -L93 1.07193496332089 Y23 -I28 1.06408830425003 V31 -S96 1.06203969804764 F32 -I100 0.976860466643813 V31 -I100 0.953856792685044 V25 -L45 0.934288426332248 L95 -I100 0.910872310797533 D39 -L93 0.895078054837861 W157 -Q162 0.892072526121955 L66 -T126 0.870923063911029 L33 -L43 0.852618784191863 L95 -F117 0.831713596487335 W24 -L45 0.818958246518195 Q15 -L61 0.809337655276909 I28 -L43 0.80614488759372 V58 -Y118 0.800465990629821 I28 -D46 0.768458069002047 V113 -I160 0.76366779435084 L158 -E163 0.749455231719224 M30 -V92 0.724427517456077 L33 -S40 0.723656089036858 L124 -S310 0.713885996123643 I16 -S60 0.702080608410668 L43 -P48 0.701567338155977 M30 -L38 0.699353113990799 L124 -L306 0.680802345767522 V113 -G159 0.666884438696217 L37 -L93 0.655363772135769 M30 -L93 0.648902842612173 V19 -T59 0.634734465670729 S29 -S42 0.618596268429941 C63 -K87 0.61657043774304 F128 -W314 0.616345792630347 F128 -A311 0.609485777072383 I16 -K64 0.605081294425138 C63 -R122 0.596715697966123 R90 -G121 0.580602212874111 R90 -G308 0.578229431780643 V31 -L93 0.577856823599759 M30 -Q44 0.573429794587904 V113 -Y118 0.568269570222481 R90 -S309 0.558546479196116 L33 -P41 0.555399573202563 V31 -L95 0.549507985839416 N34 -I100 0.548455468593385 L66 -R122 0.539768557405992 P94 -F117 0.538342854733567 F128 -T313 0.53232291251846 L33 -I100 0.529286055929462 A89 -Y312 0.523900631529388 F32 -L43 0.520696123007525 V31 -L38 0.515401875409113 W24 -Q44 0.5114002679712 P116 -L306 0.508851678957297 F32 -L95 0.50872857360011 L22 -S27 0.505306439733763 V120 -L306 0.499682526553514 F32 -S96 0.485428184623384 V20 -S60 0.475460929778314 V120 -S309 0.472721507087719 L61 -Y118 0.471368151284342 F32 -F99 0.471056323457409 L37 -V97 0.461282557978994 L33 -S42 0.457255367581035 V31 -V92 0.443459737956793 R90 -Y312 0.440677597110263 V98 -F117 0.439188779815 F117 -V305 0.436319859649407 L62 -N119 0.436162682272497 K64 -N119 0.433621779848736 F156 -D161 0.429949126279248 V20 -C56 0.429531798165012 I28 -P48 0.428787903794727 F128 -S310 0.423996392127574 I28 -C56 0.423133931003435 S91 -Y118 0.422005075243802 D39 -I100 0.417059875153081 I16 -L61 0.414931321309473 Q15 -C63 0.412907418874839 T52 -E163 0.410445021974045 L86 -R316 0.408665555948691 V19 -L84 0.405931280977681 L86 -T313 0.399893353789276 L66 -T125 0.398718935012409 T59 -S91 0.394281491617368 V19 -L57 0.392593442642164 R122 -V127 0.392353700138405 V115 -V120 0.389549761505826 N34 -P41 0.385005727842828 V20 -L57 0.381549386719486 A89 -A311 0.375900213635267 K35 -P41 0.371895208274129 Y23 -S29 0.370042214507227 T47 -T52 0.365813346913683 T26 -L45 0.364320516001133 L37 -S96 0.36111895853117 C63 -T313 0.360346670615785 V31 -Y118 0.356189129414572 I28 -L33 0.354807767617052 V58 -G159 0.353627880936319 V120 -V305 0.347438303260123 P116 -S310 0.346883815617743 A17 -K87 0.344577197939497 Y23 -Q44 0.344471496175734 N34 -P48 0.343152941602976 V19 -K87 0.342959333657937 V127 -S310 0.340155244893867 Y118 -S123 0.338273280661334 M30 -L43 0.337777038676126 L22 -K87 0.334236295986583 V19 -D85 0.333359085304414 V20 -D46 0.331047175854668 M30 -V58 0.329107932436378 S27 -Q44 0.327264671485324 V120 -Y312 0.325100562266452 S27 -P94 0.322633221471265 R90 -T313 0.322550053125417 D39 -V88 0.322456377361424 M30 -S96 0.321281557311105 A89 -S96 0.319476288808713 I16 -L57 0.315139742489377 M30 -V88 0.313638299933598 Y54 -G114 0.313107263681625 R122 -S309 0.307702356541003 T26 -L43 0.304355198626163 P116 -V305 0.303344022966314 I28 -Q44 0.301907214135848 V19 -C56 0.301627450842362 I28 -V92 0.301429525995999 L22 -L84 0.298387511398223 L18 -L84 0.298103365570393 V31 -P94 0.296403477850231 C63 -I152 0.294762152054965 P94 -T125 0.294347251091012 I28 -T52 0.293290145838551 G121 -L306 0.293068335152047 R90 -L95 0.288901377675426 K87 -R122 0.288413332562512 Y54 -G155 0.286644372300566 L86 -G308 0.284470774034201 G308 -T313 0.283073714629882 R90 -N119 0.282135250425132 V58 -D161 0.280678206882823 L86 -S91 0.279906418424181 P94 -T313 0.273945546369114 G114 -N302 0.273910489642896 L38 -V97 0.273818307614333 C56 -I160 0.273612101765352 V97 -V305 0.27089718342644 A89 -G121 0.269330862167309 L33 -L38 0.268598962041739 G121 -L303 0.268518352831108 C63 -V127 0.267627273643084 K87 -P94 0.267375715648873 M30 -Q55 0.264889946432016 L61 -R122 0.264696512762148 S40 -P48 0.26422306408804 N302 -S309 0.262783432481519 V88 -L93 0.261027458511467 L86 -S309 0.259094176836053 Q15 -Q55 0.258538953387013 V19 -C63 0.258450617301188 L66 -S123 0.257375978866577 K64 -S91 0.256034645069333 W24 -P41 0.255983847560418 L38 -V92 0.253765553639111 V31 -Y54 0.251823012163166 G154 -Q162 0.250437437246663 R90 -M304 0.249279634300005 G65 -N83 0.245426245428785 F128 -G308 0.244055965197073 S91 -F117 0.243548881275718 T52 -L95 0.24210860958605 T26 -L84 0.242008687124522 V51 -E163 0.241818921583803 S91 -N119 0.241223956893551 L33 -T47 0.241206481775382 D39 -D46 0.239823534533836 N119 -S309 0.239564586482094 P94 -F99 0.23893860247454 P48 -C56 0.234902125011997 T26 -D46 0.23408997400773 T26 -T59 0.233868875668604 Q44 -Q55 0.23280632275174 S123 -G307 0.231300978015333 F50 -E163 0.230780931584594 L66 -N83 0.230613046888391 S91 -G121 0.23009490896007 Y23 -D46 0.229718137918539 P41 -P48 0.228806460160045 F53 -Q162 0.227702732344766 V31 -S91 0.226867783240129 F117 -G308 0.225846698587191 S301 -S310 0.221719422896548 S60 -S123 0.221684047883754 G114 -V305 0.221173543133842 C63 -F128 0.220612769456726 T59 -T125 0.220059910856933 N34 -L43 0.219676181407586 Q15 -C56 0.219616803089659 L57 -G155 0.219051808454913 S91 -S301 0.218266225377727 T59 -K87 0.217246269117361 T125 -Y312 0.214766811962816 G150 -W157 0.214579607051238 V97 -G114 0.214292140261289 V115 -M304 0.214255374715261 C56 -C63 0.213385850019166 G114 -Q162 0.212918545588626 G121 -V305 0.212826230501626 Y54 -F99 0.212559677779045 L86 -T126 0.211629241027834 V31 -F117 0.211325044734183 V92 -Y312 0.210779324538669 T59 -L84 0.209471995698638 V31 -L43 0.209282163271814 V113 -E163 0.207728991792193 M30 -V98 0.206949879054301 T126 -G308 0.206726419618228 L33 -T52 0.206618573385672 Y23 -N83 0.2065675437766 C63 -G159 0.20584748455415 Y54 -E163 0.205145724829459 Y118 -N302 0.204969844443196 V115 -G159 0.203946302613524 N83 -G121 0.2038916818036 T26 -C56 0.201813163884411 F128 -G307 0.200633836357341 S96 -G114 0.200074704149356 S60 -P94 0.195704673542594 V19 -L61 0.194058261910603 V19 -M30 0.193614836627923 S96 -S309 0.190602217661017 V31 -F99 0.188377181295535 D39 -V92 0.187537495263463 V19 -F53 0.18742588296864 P94 -V305 0.187222467344357 S42 -S96 0.187073532719981 F117 -R122 0.185855727986137 K35 -I100 0.185468286621264 L57 -K87 0.184938235987349 R90 -W314 0.182371133107204 K64 -L84 0.182357051386419 Y118 -G308 0.182297169541387 N83 -T126 0.182026545594878 N119 -G159 0.181829101299085 V31 -S42 0.18153461271234 G155 -D161 0.180406021707068 K87 -L93 0.178901688613122 L38 -K87 0.178370738701834 Y23 -S42 0.177503329285351 K87 -W314 0.176536207731608 G114 -I160 0.176354818650354 S29 -L38 0.175838722045608 G65 -L86 0.17574449302453 M30 -V51 0.175593507936886 Y54 -F156 0.174840572180588 K35 -L95 0.174419905025555 T52 -Q162 0.174323179512408 W24 -C56 0.173229535042122 S123 -L306 0.173135557653605 S96 -Y118 0.172937194556254 V51 -F99 0.171752095351514 T52 -F99 0.171611051587095 S27 -Y54 0.170602911891717 V58 -G155 0.170465461301498 V58 -V120 0.169972602853649 L93 -G114 0.169256791307044 L61 -G121 0.169095628530508 S123 -M304 0.169037448114454 K35 -L43 0.16854302104376 T59 -T126 0.16824232981533 R90 -V315 0.16803999641428 K87 -T126 0.167786061962022 C56 -V88 0.166980231928372 T59 -L66 0.166708268311069 Y118 -E163 0.166653247367217 G65 -I152 0.166147441364844 L33 -S96 0.165898143695168 S123 -Y312 0.16563403920098 A17 -G65 0.165602460266315 L22 -I28 0.164117793483277 S29 -K87 0.164099936692077 W24 -L84 0.16390031193663 V92 -S309 0.163731667699964 L33 -P94 0.163442452460073 G114 -N119 0.163045308671661 N119 -F156 0.162998845912397 S60 -L95 0.162071329439316 S60 -P116 0.161694761256921 L86 -P94 0.161618568584528 L37 -G308 0.161592599705251 D85 -W314 0.161292299651658 D85 -T125 0.161273251309854 Q55 -K87 0.160530362694415 Q15 -N83 0.159348402660309 L86 -S123 0.159059754857438 I28 -N34 0.15836719219958 I28 -I49 0.157945414680104 C149 -W157 0.157277570169092 C63 -L95 0.157081463867838 C56 -L84 0.157039816192418 Y23 -S40 0.155870455245206 C56 -G155 0.154987340384739 N83 -Y312 0.153895654823008 D39 -P48 0.152134132110676 P94 -L124 0.151857157037814 K64 -L86 0.1511255941929 V58 -R122 0.151066657563971 S21 -P48 0.150303047463019 D85 -V315 0.149480273124073 T59 -L95 0.148919178564674 L45 -C56 0.148528924702167 D85 -R316 0.148472188986014 C56 -L158 0.14799167084086 W24 -S42 0.147388279528019 F53 -E163 0.147036054366781 D39 -K87 0.14700817671477 G65 -G114 0.14658872510183 M30 -D39 0.146407137700074 W24 -T59 0.146021188372351 Y23 -L61 0.145747867305406 S96 -V305 0.145502691153461 V25 -D39 0.145369745316643 S21 -S91 0.144193801193611 L66 -W314 0.144134386078645 S29 -C56 0.143694571071743 Q55 -L95 0.143550203246634 N119 -L124 0.14188880102386 S96 -P116 0.141683891008519 Y23 -L62 0.140891198109767 S27 -C63 0.14087199111452 G65 -V127 0.138854973870861 A17 -V58 0.138566875497104 S96 -N302 0.13847247316855 P94 -R122 0.138455848612419 Y54 -L62 0.138430672422533 S21 -C63 0.138212909023835 L66 -N119 0.137866440287332 L93 -S301 0.137042367939369 Y23 -L93 0.136026282652845 S123 -G308 0.135994342471565 T125 -L306 0.135448509903559 V97 -S309 0.13508854574307 C63 -G114 0.134278492298884 C56 -S96 0.133609647761323 V88 -V305 0.133578577356244 Y23 -S96 0.133163264927115 P116 -G308 0.132271010509586 C56 -G65 0.130948461386492 I16 -K87 0.130861309906752 V20 -K64 0.130793728103406 L95 -L306 0.130350728449036 V92 -V115 0.129818719900619 L22 -V31 0.129752092926534 Y54 -Y118 0.129005769841059 K64 -G121 0.128898434601405 V20 -L61 0.128832507484191 L33 -V97 0.128670914644637 V127 -W314 0.128640699271842 Y54 -Q162 0.128326332380277 I28 -A89 0.128209113021239 A89 -R122 0.128077941435396 K35 -F99 0.127961406704225 V151 -L158 0.127650508895638 S60 -V88 0.127372669351273 Y23 -F50 0.127311507010253 S91 -N302 0.127022541066025 T26 -D85 0.126135301795366 L18 -Y23 0.126124395942912 N302 -S310 0.125936945468464 R90 -V120 0.12567730706361 L18 -N83 0.125464784688508 F117 -T125 0.12452873218421 L95 -G308 0.124228927154341 V88 -V97 0.12401182795592 Y23 -K87 0.12344229090765 V115 -S309 0.122672359977738 L43 -C56 0.121184333643377 K64 -D85 0.120760789453882 V19 -Y118 0.120651558177358 S29 -L37 0.120622334970239 G114 -L158 0.120210523073287 L61 -C149 0.120085714674211 N34 -L95 0.119691003089402 A89 -W314 0.119057163482091 V120 -A311 0.11842885511355 L62 -G121 0.117937569955895 G114 -F156 0.117445314741428 S60 -A89 0.117433443918599 R122 -W314 0.117308612658906 V58 -V113 0.116650948227456 Q15 -L62 0.116384425750807 S40 -L93 0.115319565390164 P48 -Q55 0.115305763510852 Y54 -L95 0.115168376179698 K87 -S310 0.114857956577139 R90 -F128 0.114802301174671 L62 -L93 0.114543536506282 S29 -F50 0.114499447508028 V88 -G308 0.11449693869869 V19 -G65 0.114479205313496 L93 -P116 0.113937699854681 L61 -S91 0.11286824051449 Y23 -A89 0.112671137820576 A17 -L61 0.112583284303894 V113 -G155 0.112163101535677 V127 -L306 0.112008187285726 L61 -G114 0.111736366655572 L62 -L95 0.111717219663376 L62 -G159 0.111570647452315 P94 -S309 0.111528537940839 S27 -L43 0.111103410110251 P116 -Y312 0.110270158923083 A17 -S27 0.110044398811794 G65 -V115 0.109935926436894 L95 -V113 0.109837177439605 Q15 -S27 0.109713358586959 V88 -S96 0.10953414473312 S40 -P94 0.109381403657492 A17 -V25 0.109236898009878 L22 -Q55 0.108833524131765 S60 -V92 0.108492860446094 V20 -S29 0.107864496853795 L61 -L84 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