Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4DAE Chain:A ((21-251))
MSVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSVS--
General information:
TITO was launched using:
RESULT:
Template:
4DAE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151403 for 2025 contacts (-74.8/contact) +
2D Compatibility (PS) -25072 + (NN) -13123 + (LL) 72
1D Compatibility (HY) -25200 + (ID) 6200
Total energy: -220926.0 ( -109.10 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_4DAE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAE-query.scw
PDB file :
Tito_Scwrl_4DAE.pdb
: