Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSLDQCIVNACKNSWDKSYLAGTPNKDNCSGFVQSVAAELGVPMPRGNANAMVDGLEQSWTKLASGAEAAQKAAQGFLVIAGLKGRTYGHVAVVISGPLYRQKYPMCWCGSIAGAVGQSQGLKSVGQVWNRTDRDRLNYYVYSLASCSLPRAS
3VPI Chain:A ((23-174))
--SLDQCIVNACKNSWDKSYLAGTPNKDNCSGFVQSVAAELGVPMPRGNANAMVDGLEQSWTKLASGAEAAQKAAQGFLVIAGLKGRTYGHVAVVISGPLYRQKYPMCWCGSIAGAVGQSQGLKSVGQVWNRTDRDRLNYYVYSLASCSLPRAS
General information:
TITO was launched using:
RESULT:
Template:
3VPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100152 for 1292 contacts (-77.5/contact) +
2D Compatibility (PS) -16445 + (NN) -6822 + (LL) 132
1D Compatibility (HY) -20400 + (ID) 7600
Total energy: -151287.0 ( -117.10 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_3VPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VPI-query.scw
PDB file :
Tito_Scwrl_3VPI.pdb
: