[Fri Aug 26 17:23:12 2016] >Input file: TMA2CG20M1D.pdb >TM segments: 21-112 MAIDEN score = 60.3272 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 ----------- ---------------- P96 -E106 10 C88 -P111 10 P96 -G107 10 P76 -R93 8.17564086607263 P86 -P112 1.70941663998556 M94 -L109 1.55846873686163 P76 -P92 1.21902067303754 A89 -L109 1.01326301534469 P95 -P108 0.978935326262985 A89 -P111 0.899020766962699 P96 -P108 0.859402132249389 P85 -P112 0.85389559824565 L100 -F105 0.81556721161747 C88 -L109 0.794346007872254 A75 -R93 0.759009999019934 A48 -P86 0.727256836558039 C88 -P110 0.724192346602249 R45 -P85 0.687977711123263 H29 -R60 0.687764224538583 P79 -R93 0.684782789900458 P98 -R104 0.677173604609223 A89 -P95 0.657378550946778 S27 -R45 0.643242733386687 H28 -L43 0.621909803750764 A89 -P108 0.582215448494696 G49 -P85 0.58041995601701 P96 -F105 0.574355769473962 S27 -R60 0.571282648457474 H31 -T42 0.557467861594737 H33 -T40 0.552807764025499 P98 -F105 0.550674222022541 P95 -L109 0.549803309424575 D97 -P108 0.547222216857917 S26 -R45 0.546273182499527 H28 -T42 0.534970399771516 H32 -T40 0.533094167630312 C88 -M94 0.532208816950967 G87 -P112 0.525938489808601 R93 -L109 0.525094216096737 H28 -P44 0.52417559655355 A89 -M94 0.496699411224377 H36 -H74 0.487658007269044 H28 -Q59 0.477121555688901 H28 -A41 0.457593399584334 H32 -Q37 0.456692300251392 G39 -P92 0.450038338020491 G47 -P85 0.437045363663419 M94 -P108 0.434214975811083 A48 -P84 0.416496987790192 S27 -A58 0.416196987096476 H29 -L43 0.414494887534181 P44 -A58 0.405180889078202 P44 -Q59 0.405176423272811 C88 -P112 0.404925321002112 S63 -L91 0.402727969277493 T90 -L109 0.398751666269229 H36 -S63 0.397526498684298 S64 -Y99 0.388664359802246 L43 -R60 0.388521043252087 P62 -E106 0.387071908960832 H30 -S64 0.382637743077293 S57 -P111 0.365639591875867 A58 -A89 0.365031151304007 H32 -S63 0.35912683480741 P92 -P111 0.35430950405132 T40 -T90 0.352188110771531 A24 -A58 0.351666684608442 P92 -P98 0.349326919890499 M94 -G107 0.347456722834353 P77 -P96 0.34437129332897 E102 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-F105 0.254948345967957 H28 -L46 0.254334153155183 P76 -M94 0.251917343425652 R70 -D97 0.250473030102273 H30 -P92 0.249807163962173 L91 -P108 0.245131778533055 R60 -M94 0.24464153280422 T40 -L91 0.239688842869436 P69 -L100 0.234819353632262 P79 -P84 0.234738882481435 H29 -P62 0.233913837778506 S38 -P95 0.231898516565741 P77 -L109 0.230376147643971 L43 -G87 0.229748843506998 Q37 -P92 0.228904623498583 T23 -Q59 0.227697622547016 P84 -L91 0.227201948794419 P77 -P95 0.225025947059752 L91 -G107 0.223778470398735 H30 -Y35 0.222999154965162 L46 -G87 0.221641755680695 T67 -H74 0.219693063478916 G49 -Q59 0.218517326008568 R45 -A56 0.21707788255128 H30 -P62 0.216307365959423 S57 -P112 0.215990682278867 H30 -P44 0.213480765558701 H33 -T42 0.213363300010364 P62 -P110 0.213267588135228 H29 -T40 0.212729338173005 S65 -Q101 0.212416727272857 T42 -G87 0.211007379782377 P96 -P111 0.208412289350138 S26 -G61 0.208376501933018 Q101 -G107 0.207863948218973 P79 -L109 0.20750697511111 P71 -P96 0.20399985245427 P21 -H28 0.200657917550837 H36 -P92 0.200408784064399 H74 -P98 0.19986313165492 H30 -T90 0.197908006081468 G78 -P86 0.19747097857241 P44 -G50 0.194649592784502 P72 -P108 0.194355481597391 P98 -P108 0.192082063306871 S27 -S63 0.190335990788829 H74 -P108 0.190176060808815 S57 -P84 0.189326480630602 T42 -G61 0.189309055760434 T42 -A89 0.189302506279992 S38 -A80 0.18890565351536 Q59 -P108 0.188099926939029 H28 -P62 0.1878909969759 H28 -R45 0.186547171358985 P25 -G49 0.186414720086383 G78 -M94 0.185460689978272 H30 -T42 0.185014206526684 H74 -G107 0.184966563300981 P25 -R45 0.184855491482995 G87 -G107 0.18376350079809 P96 -T103 0.183108358247335 M94 -P110 0.182437958340805 S38 -A81 0.182104440881092 Y35 -P92 0.181873906833109 S65 -H74 0.181478223119185 P72 -P92 0.180757570413705 P79 -T90 0.180440632256938 P76 -L109 0.179216046882134 Q37 -G78 0.178704132895243 H31 -P92 0.178536282787632 P44 -P92 0.178355630542201 P72 -Y99 0.178243255279442 R93 -P111 0.178063683809968 G78 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0.111223836903037 G39 -A66 0.111187297190392 H30 -A58 0.109990933921245 S63 -P96 0.109497489596599 H30 -R60 0.109366354024346 P79 -P112 0.108789752071049 R45 -G61 0.108759593250278 A41 -P85 0.108609061598923 R70 -P98 0.107907215612483 H28 -S63 0.106979112434748 G39 -A89 0.106941528996591 R60 -L91 0.106396720198745 P95 -Q101 0.106396285156814 H30 -S65 0.106005477272682 H30 -G39 0.105144672300661 G50 -A56 0.104467775288341 P92 -Y99 0.103277979610125 Q59 -P110 0.102968090588228 G39 -G61 0.10292576994023 H30 -M94 0.10266973824418 P21 -G61 0.102530948127613 P62 -R104 0.100900342391333 D97 -E102 0.100140048271885 P76 -A89 0.0994785676052321 G78 -G87 0.0992113124418508 L43 -A80 0.0982938304694542 S63 -E102 0.0977744346900986 S38 -A89 0.0976672337486435 P92 -G107 0.0975345409415387 S57 -A89 0.0973273011398952 A41 -P95 0.0965482965842179 S27 -P84 0.094867645785282 A75 -P98 0.0946084380183603 A80 -P95 0.0945588584510091 A48 -A56 0.0943130378129724 H30 -A81 0.0943093431593391 P77 -T90 0.0939254349585799 P69 -P95 0.0938444245449901 T40 -G78 0.0926013837527095 A75 -P110 0.0915680555511482 T40 -M94 0.0914837407762642 Y35 -P76 0.0914056764637254 L51 -S57 0.0910929264014069 T42 -A80 0.0907739208011273 S63 -G107 0.0898507063259792 A56 -P86 0.0897864098931853 H73 -P95 0.0896985514920399 P25 -P44 0.0889586282010866 H32 -T42 0.0885817132846474 T42 -S63 0.0875681830087736 G47 -C88 0.087531771756117 S64 -G107 0.0873750843678547 R60 -P92 0.0873737314987753 G39 -P44 0.0870744632621125 A24 -P44 0.0869967364929201 T40 -S63 0.0866409200473157 G78 -C88 0.0864771162268916 S65 -E102 0.086391741141747 G82 -T90 0.0860904409120176 S27 -C88 0.0860318844569711 S64 -T90 0.0860199693235418 G39 -P77 0.0859251474413487 G39 -R60 0.0858832223499183 T42 -G82 0.0850842629849415 A24 -L46 0.0847991536396906 S64 -T103 0.0843278798073524 T90 -G107 0.0838860302186719 S27 -T40 0.0838564538733046 P21 -S57 0.0826202729990788 A52 -P85 0.081738592332405 A80 -C88 0.0816939590934018 A80 -M94 0.0815917734151101 H28 -C88 0.0815007586626404 H74 -Y99 0.0807706750068702 T40 -S64 0.0807438000212523 A81 -P86 0.080095130143425 R60 -L109 0.0795498620734789 G61 -L91 0.0790998612983901 A41 -A58 0.0771884189576264 P92 -D97 0.0771183047676489 A56 -P111 0.0770808421161364 S26 -T42 0.077063827070547 H32 -S64 0.0760851787216944 G50 -A83 0.0758149686625575 Y35 -T67 0.0748751695001371 G61 -R104 0.074741562055975 L43 -A48 0.0745521231346369 Q37 -S63 0.0745451558460122 P62 -L68 0.0743856282487126 P84 -P110 0.0736946347040561 S64 -P95 0.0736167623400554 L46 -Q59 0.0735564757622011 P95 -R104 0.0734290795662171 S26 -A58 0.0731486529512537 S64 -H74 0.0723838699905494 A48 -P111 0.0721937368353984 T40 -R60 0.0721035725186823 L100 -G107 0.0720113350002576 A41 -P86 0.0712690966938592 G49 -P84 0.0709676739813825 H31 -S64 0.070952513027271 H29 -S64 0.069333996242147 A75 -P96 0.0690671714613744 T23 -R60 0.068827876553173 H29 -S38 0.0684753200580587 S27 -P62 0.0683615578639545 P79 -P85 0.0676054140655609 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