Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEIKDLVYKASDRIILDHISLKVDKGESIAIIGPSGSGKSTFQKQICNLISPTSGELYFKGKPYNDYDPEEL----RQRISYLMQQSDLFGE-TIEDNMIFPSL--ARNDKFDRKRAKQLIKDVGLGHYQLSSEVENMSGGERQRIAIARQLMYTPDILLLDESTSALDVNNKEKIENIIFKLVEQDVAIMWITHSDDQS-MRHFQKRITIVDGKISKVEELNQHE
2PCJ Chain:A ((19-217))
----------------ILKGISLSVKKGEFVSIIGASGSGKSTLLYILGLLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALENVIVPMLKMGKPKKEAKERGEYLLSELGLGD-KLSRKPYELSGGEQQRVAIARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERELAELTH--RTLEMKDGKV----------
General information:
TITO was launched using:
RESULT:
Template:
2PCJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64798 for 1452 contacts (-44.6/contact) +
2D Compatibility (PS) -20799 + (NN) -6928 + (LL) 2868
1D Compatibility (HY) -15600 + (ID) 3600
Total energy: -108857.0 ( -74.97 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_2PCJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCJ-query.scw
PDB file :
Tito_Scwrl_2PCJ.pdb
: