Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFRENVLEILEEITETDEVVQNTNIKLFDEGLLDSMATVQLLIEIEEKLDITVPVSEFDRDEWATPEMIITQLEALK
1HQB Chain:A ((5-78))
-AIKNGVLDILADLTGSDDVKKNLDLNLFETGLLDSMGTVQLLLELQSQFGVDAPVSEFDRKEWDTPNKIIAKVE---
General information:
TITO was launched using:
RESULT:
Template:
1HQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44891 for 509 contacts (-88.2/contact) +
2D Compatibility (PS) -7733 + (NN) -3136 + (LL) 592
1D Compatibility (HY) -9200 + (ID) 1850
Total energy: -66218.0 ( -130.09 by residue)
QMean score : 0.605
(partial model without unconserved sides chains):
PDB file :
Tito_1HQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HQB-query.scw
PDB file :
Tito_Scwrl_1HQB.pdb
: