Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------------------------MVLFLSIFKKSFNDFLSARMLLINLGPILLSLAFFGAIFYYNGGSIVNYCQTLLPQSLNDYAHSQ---------GFFAGVFAWVFKALVYFLIFWIVILL----SLVINIFASIFYTPLVVSYLHQKYYPHVVLEEFGSILFSIKYFLKSLTFMLLFLAVLTPLYFIPFIGVFGVFFSIVPHFLFFKNTMSLDIASMIFNHQSYQNLLKQHRLKHYRFSFFCYLFSLI--PFFNFFATLLQTLMLTHYFFIFKEKEC-------------- |
3CKJ Chain:A ((15-329)) | GLRDTRPGDTWLADRSWNRPGWTVAELEAAKAGRTISVVLPALDEEDTIGSVIDSISPLVDGLVD--ELIVLDSGSTDDTEIRAVAAGARVVSREQALPEVPIRPGKGEALWRSLAASRGDIVVFVDSDLINPHPMFVPWLVGPLLTGDGVHLVKSFYRRPGRVTELVARPLLAALRPELGCILQPLGGEYAATRELLTSVPFAPGYGVEIGLLVDTFDRLGLDAIAQVNLGVREHRNRPLAELGAMSRQVIATLLSRCGIPDSGVGLTQFVADGPEGQSYTQHTWPVSLADRPPMQAIRPR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CKJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -316693 for 1945 contacts (-162.8/contact) +
2D Compatibility (PS) -23715 + (NN) 10800 + (LL) -40
1D Compatibility (HY) 4400 + (ID) 1150
Total energy: -326398.0 ( -167.81 by residue)
QMean score : 0.113
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