Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRWKQGWTRGSLFAALNIAAVVAVLMLGAGVAVAD-----PDA--APGDPGGPGAPGAQR----DPSTRRQLTCWRRHPTRWRCRRHLTRWRRRHLTRSRRPRLTRWQCR
3ICP Chain:A ((214-290))
LAAWKKFEEMDAPFLALNVGNVDAVRVLDIAQIVAEVLGLRPEIRLV----------GDVKYMTLAVTKLMKLTGWR----------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3ICP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 2991 for 232 contacts (12.9/contact) +
2D Compatibility (PS) -5641 + (NN) 1501 + (LL) 1580
1D Compatibility (HY) -2400 + (ID) 900
Total energy: -2869.0 ( -12.37 by residue)
QMean score : -0.040
(partial model without unconserved sides chains):
PDB file :
Tito_3ICP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ICP-query.scw
PDB file :
Tito_Scwrl_3ICP.pdb
: