[Fri Aug 26 16:54:44 2016] >Input file: TMD0LKQ7M1D.pdb >TM segments: 73-86_ 90-108 MAIDEN score = -11.1106 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 ----------- ---------------- A81 -E86 0.765280767726363 V78 -A95 0.488769270426584 H82 -T91 0.476322867838466 F74 -L79 0.380968875346728 A81 -A92 0.347620388935725 R102 -L107 0.326639578080133 Q96 -A101 0.279406186839934 L79 -S84 0.230254421642679 F74 -Q96 0.20745322182426 F74 -H105 0.171387553233114 L79 -G85 0.166318705676586 G75 -A101 0.16488649835669 R93 -A101 0.158658869898968 V73 -A95 0.157906209029697 V80 -A95 0.148244196376018 A81 -R93 0.143258268969997 A94 -R102 0.139271502130869 L79 -T91 0.138914330158514 V78 -R93 0.133547275699643 G75 -R102 0.133495093224261 L77 -T91 0.126157276293991 G75 -F99 0.124869825861677 H82 -A94 0.122968716218582 S84 -A95 0.116600068278275 V80 -T90 0.110404617275973 A92 -W100 0.107643569925474 I97 -H105 0.10491421199988 V78 -G85 0.100752550281596 E86 -T91 0.098884370675163 V80 -T91 0.0979508621998528 V83 -A94 0.0971800895732269 A81 -T90 0.0969780060483793 A76 -A95 0.092968850194457 A76 -V83 0.0899532540331902 G75 -A94 0.0850595866131307 E86 -A95 0.082066430459836 A76 -S84 0.0812745754766713 L79 -A92 0.0789569742520815 H82 -T90 0.076717345548734 L79 -F98 0.0741757166272927 W100 -H105 0.0721481609175706 A76 -F98 0.0599684165008414 V78 -Q96 0.0584564448659706 G75 -A92 0.0573152619100803 A94 -V103 0.0537120162435745 V73 -R102 0.0487919011650908 G85 -A95 0.0467544954305055 R93 -W100 0.0439385754153236 V73 -F99 0.0433871633039967 L77 -A92 0.0369617767533867 L77 -Q96 0.0344304839817964 V73 -F98 0.0325247792870993 L77 -A94 0.0319014150818351 Q96 -A104 0.0316807602210765 L79 -Q96 0.0274797045701707 A76 -F99 0.0260604721954119 F74 -T91 0.0236742513058771 H82 -F98 0.023667002556456 G85 -T90 0.0234156911986851 H82 -Q96 0.0223292626641696 F99 -L107 0.0205191354858583 G75 -V83 0.0190081295654716 T90 -F98 0.01744131253985 L77 -E86 0.0168261642333185 V73 -A101 0.0158005036041153 T90 -F99 0.0152949539644665 S84 -A92 0.0142184959015985 A92 -A101 0.0109525140598556 A76 -A94 0.00678824895162755 V80 -A94 0.00670474010866506 V80 -A92 0.00332947095835223 G85 -A92 0.00327630649678401 S84 -T90 0.0030801344775373 Q96 -H105 0.00245580561983338 F74 -A95 0.000397670335089195 L77 -T90 -9.07090874830985e-05 F74 -A92 -0.00106758708738219 E86 -Q96 -0.00249413009771082 F74 -S84 -0.00530365000969013 V73 -A94 -0.00936495855902586 T91 -F99 -0.00953526326887899 L79 -T90 -0.0107960613917308 R93 -F98 -0.0110175727873809 G85 -A94 -0.011423453738507 I97 -R102 -0.012388303607147 E86 -R93 -0.0185841474244949 A95 -V103 -0.0194401751772504 R93 -R102 -0.0199982759304236 V73 -A81 -0.0232141023760062 V83 -A92 -0.0255369725881378 V83 -T90 -0.0315457373834596 G75 -S84 -0.0328591882327109 T90 -Q96 -0.0331381432956948 A76 -T91 -0.0331956349777101 L79 -F99 -0.0341456498063373 L77 -G85 -0.0353994520470611 T91 -W100 -0.0450425345355306 V83 -A95 -0.045268901513785 A95 -A104 -0.0474072725154779 W100 -L107 -0.0483294254288031 L77 -I97 -0.0510067822167848 G75 -T91 -0.0510583332196906 F98 -V103 -0.0539317315428178 E86 -A92 -0.0544000769830291 F99 -F106 -0.0574789924097798 G75 -F98 -0.060976957595722 T91 -F98 -0.0618863187940235 L79 -R93 -0.0621052357984107 F74 -R102 -0.0622777599402751 L79 -E86 -0.0633690312292217 V78 -F99 -0.0634300426259609 G85 -T91 -0.0662032176259992 F99 -H105 -0.0670628608368284 A95 -W100 -0.0676435760005827 G75 -H82 -0.0695377965839974 V78 -T90 -0.0695387813655217 F74 -W100 -0.0698829833526431 F74 -A101 -0.0773583480910203 F98 -F106 -0.0844831696999111 L77 -R93 -0.085954480243744 G75 -Q96 -0.0866845561017291 F74 -R93 -0.0896235741068856 F98 -V108 -0.0904353210923032 H82 -A92 -0.094692844063617 W100 -V108 -0.0961675763177965 L79 -A94 -0.096240428353962 V78 -E86 -0.0969223625556399 A81 -Q96 -0.0999012898731024 G75 -A95 -0.10149918386433 F74 -I97 -0.101952029564028 G75 -I97 -0.10299890763748 R93 -F99 -0.104266809922761 V83 -T91 -0.107215679961186 A94 -W100 -0.107469795929448 F74 -H82 -0.110154937085436 F74 -V103 -0.11428112636808 L77 -F99 -0.11657613467609 S84 -A94 -0.119422389860075 A81 -F98 -0.1196849969138 F98 -L107 -0.123669636829897 A76 -H82 -0.124621263888282 V78 -T91 -0.131932066881372 V73 -V78 -0.135669229287071 I97 -F106 -0.137141701045815 F99 -V108 -0.140503842133061 F74 -V83 -0.140568514966004 H82 -A95 -0.144565797150322 T91 -Q96 -0.145774751486869 A92 -F99 -0.145971876640747 Q96 -R102 -0.14635081258442 A94 -A101 -0.147886693276313 G85 -R93 -0.151491065071507 V78 -I97 -0.152921112417131 L77 -S84 -0.155483049899109 F99 -A104 -0.157539019920204 L77 -F98 -0.161964976133768 V78 -A92 -0.163712876261096 R102 -V108 -0.165116004949002 V78 -V83 -0.170034976467797 A81 -T91 -0.170687631095577 F74 -A94 -0.178600132949513 H82 -R93 -0.18360332964687 A81 -A94 -0.186949164130028 A81 -A95 -0.187181630236953 F74 -A81 -0.189154932236743 T90 -I97 -0.197537690081849 L79 -A95 -0.202263870948732 V80 -G85 -0.202615544439551 L77 -A95 -0.204593438483258 V73 -V80 -0.207564527157062 T90 -A95 -0.213266893240868 G75 -V80 -0.214863002173135 S84 -T91 -0.22181342148463 F74 -V80 -0.226435505387574 A92 -F98 -0.227656527650975 G75 -A81 -0.237890771179512 Q96 -V103 -0.237924787936499 V73 -H82 -0.238808798678112 A95 -A101 -0.239681021548233 I97 -A104 -0.244525697734081 A95 -R102 -0.24995453618694 F74 -F99 -0.256615082473922 V78 -A94 -0.263526701130086 L77 -V83 -0.270574842218833 V103 -V108 -0.278578316769661 V78 -R102 -0.281096976030156 F98 -A104 -0.283811594084244 V80 -E86 -0.286308803095445 A92 -I97 -0.294703258023677 E86 -A94 -0.299659664169563 A101 -L107 -0.302435762971951 W100 -F106 -0.331785037378859 F98 -H105 -0.334594696670681 V78 -F98 -0.339770941629157 A101 -V108 -0.343321907198391 T91 -I97 -0.350670556819529 L77 -H82 -0.351154474440849 V78 -S84 -0.361824285093106 F74 -F98 -0.373051972972065 A76 -A81 -0.385412537374853 V73 -L79 -0.406134988649364 A101 -F106 -0.446255563527456 A94 -F99 -0.459633391235989 I97 -V103 -0.460642893130358