Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMRLTLKSKVLLLAMVPVLLFALVLSGGAVLILKKQADAEVKDTRERLLGDRRAELEHYVQIAMGSIQAEYDRSANGDLNARAEAIARLSKIKYGKDGYIFGYDSQVVRLFRGDSPVDVGKSFRDRRDPSGVYLNRELVEAGRNGSHYVTYTSPLPGNESVMVPKLSYTLYLPKWDMVIGSAINLDGVEAQLVEIKQDIDERIGTLIASIVGIAGVLLVVLLVIGLAVANAMLRPLHQIRQNLDDIAAGEGDLTRRLPVTSYDELGELAGSFNRFVEKIHGLVRQIAGMTGDLKQLVEQMSAQAERSEQAMERQRHETDQVATAINEMSAAAHEVAQSAQRAAEAAQQTDHEGQAAKRVVDGSIERIHALVDEIRDSGTSLDSLQQDVQSIVSVLGVIRSIAEQTNLLALNAAIEAARAGEAGRGFAVVADEVRALASRTQQSTQEIQGMIDRLQQGTNAAVDAMRRSGEAGEGTSNQANQAGDSLDAIAQLIATINAMNAQIASAAEEQTAVAEEINRSVHQIAGAVDSVADEAQQGAQTARSLAQLGQGLGRLVGQFRI------------- |
2CH7 Chain:A ((1-309)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSHMKDVQTETFSVAESIEEISKANEEITNQLLGISKEMDNISTRIESISASVQETTAGSEEISSATKNIADSAQQAASFADQSTQLAKEAGDALKKVIEVTRMISNSAKDVERVVESFQKGAEEITSFVETINAIAEQTNLLALNAAIEAARAGEAGRGFAVVADEIRKLAEESQQASENVRRVVNEIRSIAEDAGKVSSEITARVEEGTKLADEADEKLNSIVGAVERINEMLQNIAAAIEEQTAAVDEITTAMTENAKNAEEITNSVKEVNARLQEISASTEEVTSRVQTIRENVQMLKEIVARYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CH7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9000 for 1683 contacts (-5.3/contact) +
2D Compatibility (PS) -32998 + (NN) -11684 + (LL) 19592
1D Compatibility (HY) -8800 + (ID) 4150
Total energy: -47040.0 ( -27.95 by residue)
QMean score : 0.461
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