Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKQIPVQDVTPPAKGDTNNNDLYAKREKIYTRAFTGIFRRLRMVGGAALFLLYFGTVWLNWSGRQAVWWDLPERKFYIFGATFWPQDFMLLSWLLIVCAFGLFFITVFAGRVWCGYTCPQSVWTWIYMWCEKVTEGDRNQRIKLDKAPMSGNKLLRKTAKHSLWLLIGLVTGLTFVGYFSPIRELIPELLTGQADGWAYFWVGFFTLATYGNAGWLREQVCIYMCPYARFQSVMFDKDTLIVSYDPRRGEKRGPRKKSLDYKAQGLGDCIDC--TMCVQVCPTGID--IRDGLQI----ECIGCAACIDACDSIMEKMNYPKGLISYTT--EHNLNGQKTHLARPRLIGYAIALVLMISALITAVVLRPLVGFDVSKDRVLYRENELGRIENVYSLKIMNKDQQDHTYILGAKGLEGLTLEGRRELKVAAGDILNLPMELSIEPEKLPSTTNEIVFTIESADDPSIHKEAKSRFIGPRTR |
2VPX Chain:F ((58-127)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CLHCENPPCVPVCPTGASYQTKDGLVLVDPKKCIACGACIAACPYDARYL-HPAGYVSKCTFCAHRLEKGKVPACVETCPTYCRTFGDLEDPESPVAKALKAAERVDVLRPEQGTRPKLFYLNAPSKKGLTRESEVHH-------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VPX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -31954 for 365 contacts (-87.5/contact) +
2D Compatibility (PS) -6139 + (NN) -1361 + (LL) 25392
1D Compatibility (HY) -4800 + (ID) 1350
Total energy: -20212.0 ( -55.38 by residue)
QMean score : 0.240
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