Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGPLPVCLPIMLLLLLPSLLLLLLLPGPGSGEASRILRVHRRGILELAGTVGCVGPRTPIAYMKYGCFCGLGGHGQPRDAIDWCCHGHDCCYTRAEEAGCSPKTERYSWQCVNQSVLCGPAENKCQELLCKCDQEIANCLAQTEYNLKYLFYPQFLCEPDSPKCD
1LE6 Chain:B ((1-123))
------------------------------------------GILELAGTVGCVGPRTPIAYMKYGCFCGLGGHGQPRDAIDWCCHGHDCCYTRAEEAGCSPKTERYSWQCVNQSVLCGPAENKCQELLCKCDQEIANCLAQTEYNLKYLFYPQFLCEPDSPKCD
General information:
TITO was launched using:
RESULT:
Template:
1LE6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63634 for 940 contacts (-67.7/contact) +
2D Compatibility (PS) -12976 + (NN) -6434 + (LL) 2984
1D Compatibility (HY) -18800 + (ID) 6150
Total energy: -105010.0 ( -111.71 by residue)
QMean score : 0.317
(partial model without unconserved sides chains):
PDB file :
Tito_1LE6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LE6-query.scw
PDB file :
Tito_Scwrl_1LE6.pdb
: