Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCPCPHSQAQGETDGEAEWHNAALDFTHAMSYGDYLKLDKVLDAQFPLS--PDHNEMLFIIQHQTSELWMKLMLHELRAAREHVKSGKLGPALKMLARVSRIFDQLVHAWAVLATMTPTEYNTIRPYLGQSSGFQSYQYREIEFILGNKNATLLKPHAHRAELLAALEQALHTPSLYDEAIRLMAAQGLPVSQERLARDAAAGTCYEASVEAAWRQVYQAPERYWDLYQLAEKLIDLEDSFRQWRFRHVTTVERIIGFKPGTGGTEGVGYLRSMLDTILFPELWRLRSNL |
3BK9 Chain:A ((17-282)) | ------------------------DLEGRLTYGGYLRLDQLLSAQQPLSEPAHHDEMLFIIQAQTSELWLKLLAHELRAAIVHLQRDEVWQCRKVLARSKQVLRQLTEQWSVLETLTPSEYMGFRDVLGPSSGFQSLQYRYIEFLLGNKNPQMLQVFAYDPAGQARLREVLEAPSLYEEFLRYLARFGHAIPQQYQARDWTAAHVADDTLRPVFERIYENTDRYWREYSLCEDLVDVETQFQLWRFRHMRTVMRVIGFKRGTGGSSGVGFLQQALALTFFPELFDVRTSV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BK9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103316 for 1884 contacts (-54.8/contact) +
2D Compatibility (PS) -29122 + (NN) -19450 + (LL) 1112
1D Compatibility (HY) -27600 + (ID) 6250
Total energy: -184626.0 ( -98.00 by residue)
QMean score : 0.489
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