Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPRAVVQLGKAQPAGEELATANQTAQQPSSPAMRRLTVDDFEIGRPLGKGKFGNVYLARLKESHFIVALKVLFKSQIEKEGLEHQLRREIEIQAHLQHPNILRLYNYFHDARRVYLILEYAPRGELYKELQKSEKLDEQRTATIIEELADALTYCHDKKVIHRDIKPENLLLGFRGEVKIADFGWSVHTPSLRRKTMCGTLDYLPPEMIEGRTYDEKVDLWCIGVLCYELLVGYPPFESASHSETYRRILKVDVRFPLSMPLGARDLISRLLRYQPLERLPLAQILKHPWVQAHSRRVLPPCAQMAS
4AF3 Chain:A ((18-286))
-----------------------------------RHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFG----------------LDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPTGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPS-----
General information:
TITO was launched using:
RESULT:
Template:
4AF3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157697 for 1895 contacts (-83.2/contact) +
2D Compatibility (PS) -27096 + (NN) -12659 + (LL) 3612
1D Compatibility (HY) -32400 + (ID) 10600
Total energy: -236840.0 ( -124.98 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_4AF3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AF3-query.scw
PDB file :
Tito_Scwrl_4AF3.pdb
: