Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
1NF3 Chain:A ((5-194))
IQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGLEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVL-
General information:
TITO was launched using:
RESULT:
Template:
1NF3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133913 for 1570 contacts (-85.3/contact) +
2D Compatibility (PS) -20547 + (NN) -11011 + (LL) 176
1D Compatibility (HY) -27600 + (ID) 9400
Total energy: -202295.0 ( -128.85 by residue)
QMean score : 0.766
(partial model without unconserved sides chains):
PDB file :
Tito_1NF3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NF3-query.scw
PDB file :
Tito_Scwrl_1NF3.pdb
: