Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS
4LKE Chain:C ((1-121))
-AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS
General information:
TITO was launched using:
RESULT:
Template:
4LKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58529 for 956 contacts (-61.2/contact) +
2D Compatibility (PS) -13368 + (NN) -11491 + (LL) 208
1D Compatibility (HY) -15600 + (ID) 6050
Total energy: -104830.0 ( -109.65 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_4LKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LKE-query.scw
PDB file :
Tito_Scwrl_4LKE.pdb
: