Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQTWNLLQAGQERNYKVAYINARIIDPETKLDIEGSLLTEGSKIIDFGESLFSNGVPSGVDETINCEGLVLMPGLVDIHVHFREPGQEHKETIYTGSKSAAAGGVTTVVCQPNTTPAIDSVILAKYLKYRALETSHVNIEFYAKITTS--EEKLTEVALLKEAGAVGFTDDGIPVMNPMIMRQALLYSSMLNVPIAQHAEDLNLSAGGAINEGKISEALGVKGILSASESVMVSRDILLMKDIENVHYHILHISSKDSLDAVKRAKDLGLNVTCEVTPHHFTLTEDIVKQHGAIAKMNPPLRTEEDRLAMVEGLKTGVIDCIATDHAPHDRSSKDLPLESAAFGIVGLETMLPLSLELYHSGQIDLFDILAKLTYKPADIIHVPRGRVQKNFVADLTLVDLNYEWEIKIDSFASKSKNSPFGGRKVKGRVVRTIVSGKTVYSQK |
1XRT Chain:A ((46-467)) | --------------MLKLIVKNGYVIDPSQNLEGEFDILVENGKIKKIDKNILV-----PEAEIIDAKGLIVCPGFIDIHVHLRDPGQTYKEDIESGSRCAVAGGFTTIVCMPNTNPPIDNTTVVNYILQKSKSVGLCRVLPTGTITKGRKGKEIADFYSLKEAGCVAFTDDGSPVMDSSVMRKALELASQLGVPIMDHCEDDKLAY---------------------AEEIQIARDGILAQR-TGGHVHIQHVSTKLSLEIIEFFKEKGVKITCEVNPNHLL----------------------EDRLALIEGVKRGIIDCFATDHAPHQT------------GIIGLQTALPSALELYRKGIISLKKLIEMFTINPARIIGVDLGTLKLGSPADITIFDPNKEWILNEETNLSKSRNTPLWGKVLKGKVIYTIKDGKMVYKD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1XRT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166987 for 3425 contacts (-48.8/contact) +
2D Compatibility (PS) -39820 + (NN) -16993 + (LL) 4428
1D Compatibility (HY) -26400 + (ID) 7850
Total energy: -253622.0 ( -74.05 by residue)
QMean score : 0.480
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