Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAALEPPEPKKSRRCVLL
2WKQ Chain:A ((153-330))
KELIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGLEDYDRLRPLSYPQTDVFLICFSLVSPASFHHVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVLC-------------
General information:
TITO was launched using:
RESULT:
Template:
2WKQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142203 for 1438 contacts (-98.9/contact) +
2D Compatibility (PS) -18950 + (NN) -5433 + (LL) 584
1D Compatibility (HY) -24000 + (ID) 6150
Total energy: -196152.0 ( -136.41 by residue)
QMean score : 0.714
(partial model without unconserved sides chains):
PDB file :
Tito_2WKQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WKQ-query.scw
PDB file :
Tito_Scwrl_2WKQ.pdb
: