Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHY----------------DALLDAMVPL----GTQCVLDVGCGDGLLAARLAR-RIPYVTAVDIDAPVLRRAQTRFANAP----IRWLHADIMTAELPNAGFDAVVSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
3BUS Chain:A ((24-168))
----WGENLHFGYWEDAGADVSVDDATDRLTDEMIALLDVRSGDRVLDVGCGIGKPAVRLATARDVRVTGISISRPQVNQANARATAAGLANRVTFSYADAMDLPFEDASFDAVWALESLHHMPDRGRALREMARVLRPGGTVAIADFV-------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3BUS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98192 for 890 contacts (-110.3/contact) +
2D Compatibility (PS) -13350 + (NN) -8191 + (LL) 5080
1D Compatibility (HY) -8800 + (ID) 2450
Total energy: -125903.0 ( -141.46 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_3BUS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BUS-query.scw
PDB file :
Tito_Scwrl_3BUS.pdb
: