Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTASELVAGDLAGGRAPGALPLDT-----TWHRPGWTIGELEAAKAGRTISVVLPALNEEATIESVIDSISPLVDGLVDELIVLDSGSTDDTEIRAIASGARVVSREQALPEVPVRPGKGEALWRSLAATSGDIVVFIDSDLINPHPLFVPWLVGPLLTGEGIQLVKSFYRRPLQVSDVTSGVCATGGGRVTELVARPLLAALRPELGCVLQPLSGEYAASRELLTSLPFAPGYGVEIGLLIDTFDRLGLDAIAQVNLGVRAHRNRPLDELGAMSRQVIATLLSRCGIPDSGVGLTQFLPGGPDDSDYTRHTWPVSLVDRPPMKVMRPR |
3CKQ Chain:A ((15-329)) | --------------GLRDTRPGDTWLADRSWNRPGWTVAELEAAKAGRTISVVLPALDEEDTIGSVIDSISPLVDGLVDELIVLDSGSTDDTEIRAVAAGARVVSREQALPEVPIRPGKGEALWRSLAASRGDIVVFVDSDLINPHPMFVPWLVGPLLTGDGVHLVKSFYRRPL-------------GGRVTELVARPLLAALRPELGCILQPLGGEYAATRELLTSVPFAPGYGVEIGLLVDTFDRLGLDAIAQVNLGVREHRNRPLAELGAMSRQVIATLLSRCGIPDSGVGLTQFVADGPEGQSYTQHTWPVSLADRPPMQAIRPR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CKQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -184241 for 2473 contacts (-74.5/contact) +
2D Compatibility (PS) -32608 + (NN) -19534 + (LL) 1244
1D Compatibility (HY) -38400 + (ID) 12700
Total energy: -286239.0 ( -115.75 by residue)
QMean score : 0.522
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