Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
3TH5 Chain:B ((29-204))
-QAIKCVVVGDGAVGKTCLLISYTTNAFP-----TVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL--------------
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) -144998 for 1413 contacts (-102.6/contact) +
2D Compatibility (PS) -18565 + (NN) -11475 + (LL) 1116
1D Compatibility (HY) -23600 + (ID) 6200
Total energy: -203722.0 ( -144.18 by residue)
QMean score : 0.674
(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
: