Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MESSVINQSEKVTKPAIDLFGCLYATGRRKESAARVWIKSGSGKFSVNQQDKLLSYFKRESVCQIVKMPLIVTSTLDKYDVFATVKGGGLSGQAGALAHGISKALSKISQDLYSILRKSGYLTRNSCVKERKKYGQRGARAKYQFSKR
2YKR Chain:I ((4-129))
---------------------QYYGTGRRKSSAARVFIKPGNGKIVINQRS-LEQYFGRETARMVVRQPLELVDMVEKLDLYITVKGGGISGQAGAIRHGITRALMEYDESLRSELRKAGFVTRDARQVERKKVGLRKARRRPQFSKR
General information:
TITO was launched using:
RESULT:
Template:
2YKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55252 for 1059 contacts (-52.2/contact) +
2D Compatibility (PS) -12775 + (NN) 392 + (LL) 1472
1D Compatibility (HY) -7600 + (ID) 3300
Total energy: -77063.0 ( -72.77 by residue)
QMean score : 0.357
(partial model without unconserved sides chains):
PDB file :
Tito_2YKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YKR-query.scw
PDB file :
Tito_Scwrl_2YKR.pdb
: