Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDFIDEVKLYLKAGDGGDGCVSFRREKFVEFGGPNGGNGGKGGNIVFVSDANLNTLLNFRYRRHVKAGSGKSGASRDRSGTAGKNIVLKVPVGTQIIDEESEKIILDFNKPDMEFLIAQGGKGGLGNTNFKSSINRAPRHFTCGQFGEEKYVVLKLKVLSDVGIIGMPNAGKSKFLTRCSNADTKVGDYPFTTIKPHLGVAKVDNSEVVIVDIPGIITDAHL--GIGLGHKFLKHVERCKILLHLIDVTHDNVVSAYNCMRNELELYNSDLVKKEEIIVLNKCDLLRKVEI--FEKKNHLANYLNKEVLCLSI--GEDLQPILRLLNEKLKKGSSKKVDVYDPFKR |
3B1V Chain:A ((3-164)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------MTEIALIGNPNSGKTSLFNLITGHNQRVGNWPGVTVERKSGLVK-KNKDLEIQDLPGIYSMSPYSPEAKVARDYL-LSQRADSILNVVDATNLE---RNLYLTTQLIE-----TGIPVTIALNMIDVLDGQGKKINVDKLS--YHLGVPVVATSALKQTGVDQVVKKAAHTTTSTVGDLAFPIYDDRL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B1V.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88878 for 1297 contacts (-68.5/contact) +
2D Compatibility (PS) -16421 + (NN) -4649 + (LL) 7184
1D Compatibility (HY) -5200 + (ID) 1650
Total energy: -109614.0 ( -84.51 by residue)
QMean score : 0.362
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