Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVNDGVDQMGAEPDIMEFVEQMGGYFESRSLTRLAGRLLGWLLVCDPERQSSEELATALAASSGGISTNARMLIQFGFIERLAVAGDRRTYFRLRPNAFAAGERERIRAMAELQDLADVGLRALGDAPPQRSRRLREMRDLLAYMENVVSDALGRYSQRTGEDD
4NB5 Chain:D ((14-159))
-------------PDIMEFVEQMGGYFESRSLTRLAGRLLGWLLVCDPERQSSEELATALAASSGGISTNARMLIQFGFIERLAVAGDRRTYFRLRPNAFAAGERERIRAMAELQDLADVGLRALGDAPPQRSRRLREMRDLLAYMENVVSDALGRYSQ------
General information:
TITO was launched using:
RESULT:
Template:
4NB5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79974 for 977 contacts (-81.9/contact) +
2D Compatibility (PS) -16298 + (NN) -12424 + (LL) 496
1D Compatibility (HY) -19200 + (ID) 7300
Total energy: -134700.0 ( -137.87 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_4NB5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NB5-query.scw
PDB file :
Tito_Scwrl_4NB5.pdb
: