Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSASSPAAWRGTLAGLIAFHIFIIIASNYLVQLPITLFGWHTTWGAFSFPFIFLATDLTVRLLGKGPARLVIARVMIPALIASYVVSVLFQEAAFRGFSALLEFNTFVARISLASFLAYVLGQILDIQVFDRLRRSRHWWTAPVASTIL----GNLLDTFTFFFVAFWRSDNPFMAQHWVEIATVDYGVKLSISLLLFVPLYGMLLNGILKMLPGRPQSNA |
3QR8 Chain:A ((51-91)) | -----------------------------------------------------------------------------------------------------------------------------------RAGRSRTWWAPSVGEQVLILAVGGELDT-AFVLPGIYSGDNPSPSVSADALHIRFPDGAVIEYEPETSALTVSGIKTASVTASGSVTATV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QR8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -7570 for 131 contacts (-57.8/contact) +
2D Compatibility (PS) -4166 + (NN) -1714 + (LL) 12532
1D Compatibility (HY) -3200 + (ID) 800
Total energy: -4918.0 ( -37.54 by residue)
QMean score : -0.250
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