Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIFPAIDLKNGQCVRLFQGDFSKKTVVNEDPIAQAKAFATDGATYLHIVDLDGALEGRPINLEVIQKMKITAKIPVQVGGGIRSMAQVDYYLESGIDRVIIGSAALTDPDFLRAAVQKYGAK-IAAGIDAK-----NGFVATRGWLDVSQVSYLDLAKRMEKVGVETIIYTDISRDGTLTGPNLEQMANL-KEHVKVNLIASGGVSSRADLEALAQLGLYGAIAGKALYNHHISMSDIVEVEQIAY
5A5W Chain:A ((2-243))
--IIPALNLIDGTVVRLHQGDYARQRDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDISRAGTLAGSNVSLYEEVCARYPQIAFQSSGGIGDIDDIAALRGTGVRGVIVGRALLEGKFTVKEAIQCWQ---
General information:
TITO was launched using:
RESULT:
Template:
5A5W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143483 for 2027 contacts (-70.8/contact) +
2D Compatibility (PS) -25936 + (NN) -9549 + (LL) 768
1D Compatibility (HY) -20400 + (ID) 3950
Total energy: -202550.0 ( -99.93 by residue)
QMean score : 0.607
(partial model without unconserved sides chains):
PDB file :
Tito_5A5W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5A5W-query.scw
PDB file :
Tito_Scwrl_5A5W.pdb
: