Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIFPAIDLKNGQCVRLFQGDFSKKTVVNEDPIAQAKAFATDGATYLHIVDLDGALEGRPINLEVIQKMKITAKIPVQVGGGIRSMAQVDYYLESGIDRVIIGSAALTDPDFLRAAVQKYGAK-IAAGIDAK-----NGFVATRGWLDVSQVSYLDLAKRMEKVGVETIIYTDISRDGTLTGPNLEQMANL-KEHVKVNLIASGGVSSRADLEALAQLGLYGAIAGKALYNHHISMSDIVEVEQIAY
5AHE Chain:A ((2-243))
--IIPALDLIDGTVVRL-------QRDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDIS------GSNVSLYEEVCARYPQIAFQSSGGIGDIDDIAALRGTGVRGVIVGRALLEGKFTVKEAIQCWQ---
General information:
TITO was launched using:
RESULT:
Template:
5AHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149416 for 1782 contacts (-83.8/contact) +
2D Compatibility (PS) -23868 + (NN) -6078 + (LL) 1100
1D Compatibility (HY) -20000 + (ID) 3600
Total energy: -201862.0 ( -113.28 by residue)
QMean score : 0.672
(partial model without unconserved sides chains):
PDB file :
Tito_5AHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5AHE-query.scw
PDB file :
Tito_Scwrl_5AHE.pdb
: