Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGG-AVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERAL-AIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
2OAT Chain:A ((260-438))
FIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLY-PVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILS---
General information:
TITO was launched using:
RESULT:
Template:
2OAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103280 for 1235 contacts (-83.6/contact) +
2D Compatibility (PS) -18802 + (NN) -5804 + (LL) 136
1D Compatibility (HY) -13600 + (ID) 3500
Total energy: -144850.0 ( -117.29 by residue)
QMean score : 0.254
(partial model without unconserved sides chains):
PDB file :
Tito_2OAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OAT-query.scw
PDB file :
Tito_Scwrl_2OAT.pdb
: