Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
3TH5 Chain:A ((29-204))
-QAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL--------------
General information:
TITO was launched using:
RESULT:
Template:
3TH5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147200 for 1455 contacts (-101.2/contact) +
2D Compatibility (PS) -19093 + (NN) -10362 + (LL) 896
1D Compatibility (HY) -24400 + (ID) 6350
Total energy: -206509.0 ( -141.93 by residue)
QMean score : 0.719
(partial model without unconserved sides chains):
PDB file :
Tito_3TH5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TH5-query.scw
PDB file :
Tito_Scwrl_3TH5.pdb
: