Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDFIDEVKLYLKAGDGGDGCVSFRREKFVEFGGPNGGNGGKGGNIVFVSDANLNTLLNFRYRRHVKAGSGKSGASRDRSGTAGKNIVLKVPVGTQIIDEESEKIILDFNKPDMEFLIAQGGKGGLGNTNFKSSINRAPRHFTCGQFGEEKYVVLKLKVLSDVGIIGMPNAGKSKFLTRCSNADTKVGDYPFTTIKPHLGVAKVDNSEVVIVDIPGIITDAH--LGIGLGHKFLKHVERCKILLHLIDVTHDNVVSAYNCMRNELELYNSDLVKKEEIIVLNKCDLLRKVE--IFEKKNHLANYLNKEVLCLSI--GEDLQPILRLLNEKLKKGSSKKVDVYDPFKR |
| 3A1S Chain:A ((5-167)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------MVKVALAGCPNVGKTSLFNALTGTKQYVANWPGVTVEKKEGVFTYKGYTINLIDLPGTYSLGYSSIDEKIARDYL-LKGDADLVILVADSVNP--EQSLYLLLEILE------MEKKVILAMTAIDEAKKTGMKIDRYEL--QKHLGIPVVFTSSVTGEGLEELKEKIVEYAQKNTILHRMILDYGEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -92297 for 1244 contacts (-74.2/contact) +
2D Compatibility (PS) -17187 + (NN) -7028 + (LL) 6824
1D Compatibility (HY) -8000 + (ID) 1550
Total energy: -119238.0 ( -95.85 by residue)
QMean score : 0.521
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