Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDATDRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFARNKTTYNKKYQYYSNKHCRGSTPRC
1AYP Chain:A ((1-124))
--------------------NLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDATDRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFARNKTTYNKKYQYYSNKHCRGSTPRC
General information:
TITO was launched using:
RESULT:
Template:
1AYP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43978 for 940 contacts (-46.8/contact) +
2D Compatibility (PS) -13560 + (NN) -9833 + (LL) 2428
1D Compatibility (HY) -15600 + (ID) 6200
Total energy: -86743.0 ( -92.28 by residue)
QMean score : 0.391
(partial model without unconserved sides chains):
PDB file :
Tito_1AYP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1AYP-query.scw
PDB file :
Tito_Scwrl_1AYP.pdb
: