Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4DAO Chain:A ((22-251))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSV---
General information:
TITO was launched using:
RESULT:
Template:
4DAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154740 for 1997 contacts (-77.5/contact) +
2D Compatibility (PS) -24990 + (NN) -10694 + (LL) 384
1D Compatibility (HY) -24800 + (ID) 6150
Total energy: -220990.0 ( -110.66 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_4DAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAO-query.scw
PDB file :
Tito_Scwrl_4DAO.pdb
: