Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKAKQIYLEFKREADFLELDFPLFLGDGPGFGELCMDYSEQDGYMLYGYEHGKRNSEFKTTDFDEFKYEVFLHICWYMGMEF--ELRHRKEDIERDDNILETDTRKIAFEKTLQLLKMVNPAWIDKAAIGYSNYLNLWRKNKNVYFDKEAMQFKVNL
3KVA Chain:A ((285-329))
-------------------------------------------GMQLRCYEMEKR---LKTPDL--FKFPFFEAICWFVAKNLLETLKELRED-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KVA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12997 for 181 contacts (-71.8/contact) +
2D Compatibility (PS) -4487 + (NN) -2138 + (LL) 7780
1D Compatibility (HY) -4800 + (ID) 900
Total energy: -17542.0 ( -96.92 by residue)
QMean score : -0.173
(partial model without unconserved sides chains):
PDB file :
Tito_3KVA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KVA-query.scw
PDB file :
Tito_Scwrl_3KVA.pdb
: