Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRTLHVDLGERSYPIYIGENLLGDARWFAPHIVGRRVAVISNETVAPLYLETLLKALQGHEVTP--VVLPDGEAYKQWETLQLIFDVLLKERHDRKTTLIALGGGVIGDMAGFAAACYQRGVNFIQVPTTLLSQVDSSVGGKTGINHPLGKNMIGAFYQPQAVVIDTASLKTLPSRELSAGLAEVIKYGFICDEPFITWLEAHMDALLALEPTVVTEAIERSCAAKARVVGADERESGVRATLNLGHTFGHAIETQQGYGVWLHGEAVGAGTVMALEMSHRLGWLSAAERDRGIRLLRRAGLPVVPPAEMTAEDFMEHMAVDKKVLDGRLRLVLLQGLGNAVVTGDFPREILDATLRTDYRALADQLGDE |
3QBD Chain:A ((45-346)) | -----------------------------------KVAVVHQPGLAETA-EEIRKRLAGKGVDAHRIEIPDAEAGKDLPVVGFIWEVLGRIGIGRKDALVSLGGGAATDVAGFAAATWLRGVSIVHLPTTLLGMVDAAVGGKTGINTDAGKNLVGAFHQPLAVLVDLATLQTLPRDEMICGMAEVVKAGFIADPVILDLIEADPQAALDPAGDVLPELIRRAITVKAEVVAA-----ELREILNYGHTLGHAIERRERY-RWRHGAAVSVGLVFAAELARLAGRLDDATAQRHRTILSSLGLPVSYDPDALPQ-LLEIMAG-------VLRFVVLDGLAK------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QBD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197055 for 2417 contacts (-81.5/contact) +
2D Compatibility (PS) -30893 + (NN) -13246 + (LL) 4504
1D Compatibility (HY) -22400 + (ID) 6350
Total energy: -265440.0 ( -109.82 by residue)
QMean score : 0.494
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