Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIGGGIPHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELLTSESRGVLPDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLWHEKYRSQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR
3HUL Chain:B ((3-290))
LRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNI----PHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELL--------PDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLW---------PHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR
General information:
TITO was launched using:
RESULT:
Template:
3HUL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -211533 for 2325 contacts (-91.0/contact) +
2D Compatibility (PS) -29355 + (NN) -13562 + (LL) 948
1D Compatibility (HY) -38000 + (ID) 13300
Total energy: -304802.0 ( -131.10 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3HUL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HUL-query.scw
PDB file :
Tito_Scwrl_3HUL.pdb
: