Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNRVRELRAERGWSQAELAGKLEVSRQTVNAIETGRYDPSLPLAFKLARVFGLAIEAIFDDREGQLD
2LYP Chain:A ((4-61))
--NNLKLIREKKKISQSELAALLEVSRQTINGIEKNKYNPSLQLALKIAYYLNTPLEDIF--------
General information:
TITO was launched using:
RESULT:
Template:
2LYP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36363 for 414 contacts (-87.8/contact) +
2D Compatibility (PS) -6324 + (NN) -3243 + (LL) 408
1D Compatibility (HY) -6800 + (ID) 1400
Total energy: -53722.0 ( -129.76 by residue)
QMean score : 0.682
(partial model without unconserved sides chains):
PDB file :
Tito_2LYP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2LYP-query.scw
PDB file :
Tito_Scwrl_2LYP.pdb
: