Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
2W5U Chain:B ((2-164))
-GKIGIFFGTDSGNAEAIAEKISKAIGNAEVVDVAKASKEQFNSFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTSTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERISKWVEQVRGSFA
General information:
TITO was launched using:
RESULT:
Template:
2W5U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102790 for 1428 contacts (-72.0/contact) +
2D Compatibility (PS) -17544 + (NN) -8248 + (LL) 208
1D Compatibility (HY) -19200 + (ID) 7950
Total energy: -155524.0 ( -108.91 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_2W5U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W5U-query.scw
PDB file :
Tito_Scwrl_2W5U.pdb
: