Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELWPAIDLIGSTSVRLTEGKYDSEEKMSRSAEESIAYYSQFECVNRIHIVDLIGAKAQYAREFDYIKSLRRLTTKDIEVGGGIRTKSQIMDYFAAGINYCIVGTKGIQDTDWLKEMAHTFPGR-----IYLSVDAYG-EDIKVNGWEEDTELNLFSFVRQLSDIPLGGIIYTDIAKDGKMSGPNFELTGQLV-KATTIPVIASGGIRHQQDIQRLASLNVHAAIIGKAAHQASFWEGLE
5AHE Chain:A ((4-233))
-----PALDLIDGTVVRL-------QRDYGNDPLPRLQDYAA-QGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDIS------GSNVSLYEEVCARYPQIAFQSSGGIGDIDDIAALRGTGVRGVIVGRALLEGKF-----
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) -108703 for 1585 contacts (-68.6/contact) +
2D Compatibility (PS) -22542 + (NN) -6277 + (LL) 1444
1D Compatibility (HY) -19200 + (ID) 3050
Total energy: -158328.0 ( -99.89 by residue)
QMean score : 0.453
(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
: