Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDTPNKDDSIIRFSVSLQQNLLDELDNRIIKNGYSSRSELVRDMIREKLVEDNWVEDNPNDGSKIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCLETIILQGNSLEIQRLQLEIGGLRGVKFAKLTKASSFEYNE
2CAJ Chain:B ((9-147))
--------SIIRFSVSLQQNLLDELDNRIIKNGYSSRSELVRDMIREKLVEDNWAEDNPNDESKIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCLETIILQGNSFEIQRLQLEIGGLRGVKFAKLTKASSFEYN-
General information:
TITO was launched using:
RESULT:
Template:
2CAJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -42442 for 878 contacts (-48.3/contact) +
2D Compatibility (PS) -15887 + (NN) -9435 + (LL) -20
1D Compatibility (HY) -19600 + (ID) 6800
Total energy: -94184.0 ( -107.27 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_2CAJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CAJ-query.scw
PDB file :
Tito_Scwrl_2CAJ.pdb
: