Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAVQPWLYSNMPAIRGAVLDQIGVPRPYWR-SKPISVVELHLDPPDRGEVLVRIEAAGVCHSDLSVVDGTRVRPVPILLGHEAAGIVEQVGDGVDGVAVGQRVVLVFLPRCGQCAACATDGRTPCEPGSAANKAGTLLGGGIRLSRGGRPVYHHLGVSGFATHVVVNRASVVPVPHEVPPTVAALLGCAVLTGGGAVLNVGDPQPGQSVAVVGLGGVGMAAVLTALTYTDVRVVAVDQLPEKLSAAKALGAHEIYTPQ-----------QATAGGVKAAVVVEAVGH-PAALHTAIGLTAPGGRTITVGLPPPDVRISLSPLDFVTEGRSLIGSYLGSAVPSHDIPRFVSLWQSGRLPVESLVTSTIRLDDINEAMDHLADGIAVRQLISFTGDL |
1U3W Chain:B ((15-374)) | -----------------------------WELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSDEHVVSGNLVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLFTPQCGKCRICKNPESNYCLKNDLGNPRGTLQDGTRRFTCSGKPIHHFVGVSTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTPGSTCAVFGLGGVGLSVVMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFS--FEVIGQLDTMMASLLCCHEACGTSVIVGVPPDSQNLSINPMLLLT-GRTWKGAIFGGFKSKESVPKLVADFMAKKFSLDALITNVLPFEKINEGFDLLRSGKSIRTVLTF---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U3W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254097 for 3185 contacts (-79.8/contact) +
2D Compatibility (PS) -38234 + (NN) -22578 + (LL) 2204
1D Compatibility (HY) -28400 + (ID) 6150
Total energy: -347255.0 ( -109.03 by residue)
QMean score : 0.545
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