Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4DA8 Chain:A ((22-251))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSVS--
General information:
TITO was launched using:
RESULT:
Template:
4DA8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -154640 for 2021 contacts (-76.5/contact) +
2D Compatibility (PS) -24908 + (NN) -9430 + (LL) 280
1D Compatibility (HY) -24800 + (ID) 6150
Total energy: -219648.0 ( -108.68 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_4DA8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DA8-query.scw
PDB file :
Tito_Scwrl_4DA8.pdb
: