Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGQEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKP
1HE1 Chain:D ((2-136))
-QAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTP
General information:
TITO was launched using:
RESULT:
Template:
1HE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68051 for 960 contacts (-70.9/contact) +
2D Compatibility (PS) -14809 + (NN) -10240 + (LL) 208
1D Compatibility (HY) -19600 + (ID) 5100
Total energy: -117592.0 ( -122.49 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_1HE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HE1-query.scw
PDB file :
Tito_Scwrl_1HE1.pdb
: