Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQIFPAIDLKNGQCVRLFQGDFSKKTVVNEDPIAQAKAFATDGATYLHIVDLDGALEGRPINLEVIQKMKITAKIPVQVGGGIRSMAQVDYYLESGIDRVIIGSAALTDPDFLRAAVQKYGAK-IAAGIDAK-----NGFVATRGWLDVSQVSYLDLAKRMEKVGVETIIYTDISRDGTLTGPNLEQMANL-KEHVKVNLIASGGVSSRADLEALAQLGLYGAIAGKALYNHHISMSDIVEVEQIAY
5AHF Chain:A ((2-243))
--IIPALNLIDGTVVRL-------QRDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDIS--------NVSLYEEVCARYPQIAFQSSGGIGDIDDIAALRGTGVRGVIVGRALLEGKFTVKEAIQCWQ---
General information:
TITO was launched using:
RESULT:
Template:
5AHF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151022 for 1800 contacts (-83.9/contact) +
2D Compatibility (PS) -23911 + (NN) -6288 + (LL) 760
1D Compatibility (HY) -20000 + (ID) 3550
Total energy: -204011.0 ( -113.34 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_5AHF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5AHF-query.scw
PDB file :
Tito_Scwrl_5AHF.pdb
: