Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKSKRLEIVSTIVKKHKIYKKEQIISYIEEYFGVRYSATTIAKDLKELNIYRVPIDCET-WIYKAINNQTEQEM-----REKFRHYCEHEVLSSIINGSYIIVKTSPGFAQGINYFIDQLNIEEILGTVSGNDTTLILTASNDMAEYVYAKLFK
3LAP Chain:A ((16-167))
ANRAGRQARIVAILSSAQVRSQNELAALLAA-EGIEVTQATLSRDLEELGAVKLRGADGGTGIYVVPE-------GVSGGTDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFE-
General information:
TITO was launched using:
RESULT:
Template:
3LAP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94207 for 984 contacts (-95.7/contact) +
2D Compatibility (PS) -15153 + (NN) -7491 + (LL) 784
1D Compatibility (HY) -5200 + (ID) 1200
Total energy: -122467.0 ( -124.46 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_3LAP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3LAP-query.scw
PDB file :
Tito_Scwrl_3LAP.pdb
: