Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELTKENFQKLDLIHLSLENRHSMSEIIDILSESYIEITQSGVVKDYAYYKSLTTLGD----SNLAIMEYDVKILDETKVLSYYKLKNLS------ENNYTMRSNIWIFENGSWKLTFHQGTRII
3KSP Chain:A ((5-126))
-SAKHLQLQTLLSERHAYLMEGNREAMHQLLSSDFSFIDGQGRQFDAETYLDHYVDPDQIQWSNQISESMVVEVFE-TTALVQEIVEDHFSYGRSMYIGRFRSVSLYHWANEGWKWHFHQLTPL-
General information:
TITO was launched using:
RESULT:
Template:
3KSP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17723 for 749 contacts (-23.7/contact) +
2D Compatibility (PS) -11964 + (NN) -545 + (LL) 516
1D Compatibility (HY) 400 + (ID) 1050
Total energy: -30366.0 ( -40.54 by residue)
QMean score : 0.376
(partial model without unconserved sides chains):
PDB file :
Tito_3KSP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KSP-query.scw
PDB file :
Tito_Scwrl_3KSP.pdb
: