Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKP
2Q3H Chain:A ((20-146))
--GVKCVLVGDGAVGKTSLVVSYTT--------PTAFDNFSAVVSVDGRPVRLQLCDTAGQDEFDKLRPLCYTNTDIFLLCFSVVSPSSFQNVSEKWVPEIRCHCPKAPIILVGTQSDLREDVKVLIEL-------
General information:
TITO was launched using:
RESULT:
Template:
2Q3H.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72125 for 845 contacts (-85.4/contact) +
2D Compatibility (PS) -12515 + (NN) -4977 + (LL) 900
1D Compatibility (HY) -15200 + (ID) 3800
Total energy: -107717.0 ( -127.48 by residue)
QMean score : 0.313
(partial model without unconserved sides chains):
PDB file :
Tito_2Q3H.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2Q3H-query.scw
PDB file :
Tito_Scwrl_2Q3H.pdb
: