Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLILTADVDHLGSIGDTVEVKDGYGRNFLLPRGLAIVASRGAQKQADEIRRARETKSVRDLEHANEIKAAIEALGPIALPVKTSADSGKLFGSVTAADVVAAIKKAGGPNLDKRIVRLPKTHIKAVGTHFVSVHLHPEIDVEVSLDVVAQS
2HBA Chain:A ((1-51))
MKVIFLKDVKGMGKKGEIKNVADGYANNFLFKQGLAIEATPANLKALEAQK-----------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2HBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35321 for 315 contacts (-112.1/contact) +
2D Compatibility (PS) -5224 + (NN) 982 + (LL) 7368
1D Compatibility (HY) -3600 + (ID) 1000
Total energy: -36795.0 ( -116.81 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_2HBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HBA-query.scw
PDB file :
Tito_Scwrl_2HBA.pdb
: