Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4NI5 Chain:A ((11-253))
----FKDKVVIVTGGASGIGEATARAFIREGAKVVIADF-SD---------------ALFIKTDVADTRAVQALIARTVENYGRLDIMFANAGIAAD-APIDELDEAAWQKTIDINLTGVYLCDKYAIDQMRSQGGGVIVNCGSIHSHVGKSGVTAYAAAKGGVKLLTQTLAIDYGPQNIRVNAVCPGYIDT------PD---DKKQALVALHPMGRLGRAEEVANAVLFLASDEASFVNGASLLVDGGYTAQ
General information:
TITO was launched using:
RESULT:
Template:
4NI5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180090 for 1922 contacts (-93.7/contact) +
2D Compatibility (PS) -24906 + (NN) -13894 + (LL) 1408
1D Compatibility (HY) -16400 + (ID) 5250
Total energy: -239132.0 ( -124.42 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_4NI5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NI5-query.scw
PDB file :
Tito_Scwrl_4NI5.pdb
: