Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTIAKDQTQINDKIRAKELRLIGQDGEQIGVKSKREALEMAERVDLDLVVVAPNAKPPVARIMDYGKFKFEQQKKEKEMKKKQKIINVKEIRLSPTIEEHDFQTKLKNGRKFLTKGDKCKVSIRFRGRAITHKEIGQRVLEKYADECKDIATVEQKPKMDGRQMFIMLAPTAEK
1YUN Chain:A ((22-64))
----------------GKRIGLFGGTFDPVHIGHMRSAVEMAEQFALDELRLLPNARPP--------------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1YUN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5837 for 211 contacts (-27.7/contact) +
2D Compatibility (PS) -4890 + (NN) -1771 + (LL) 10616
1D Compatibility (HY) -3600 + (ID) 800
Total energy: -6282.0 ( -29.77 by residue)
QMean score : 0.436
(partial model without unconserved sides chains):
PDB file :
Tito_1YUN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YUN-query.scw
PDB file :
Tito_Scwrl_1YUN.pdb
: