Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKDNASYLQAFILVGSSDRPGLEKILFAVILIFCILTLV-GNTAIILLLVMDVRLHTPMYFFLGNLSFLDLCFTASIAP-------QLLWNLGGPEKTITYHGCVAQLYIYMMLGSTECVLLVVMSHDRYVAVCRSLHYMAVMRPHLCLQLVTVAWCCGFLNSFIMCPQTMQLSRCGRRRVDHFLCEMPALIAMSCEETMLVEAIHLCPGGGSPPGAALPHPHLLWRDCSRGAEDEVSSRAKESLPHLLFSPHSGLSLLRNHHLRVPEAGQQLLPRSGEVPDSLLHHRHSQHQPPHLHFEEQGCEGDHEETSGVGERGWGASTRGTL |
3NYA Chain:A ((46-175)) | -----------------------------IVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGN-------FWCEFWTSIDVLCVTASIWTLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NYA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -98740 for 771 contacts (-128.1/contact) +
2D Compatibility (PS) -11813 + (NN) 572 + (LL) 2208
1D Compatibility (HY) -12400 + (ID) 1400
Total energy: -121573.0 ( -157.68 by residue)
QMean score : 0.166
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