Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4D8V Chain:B ((22-251))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSVS--
General information:
TITO was launched using:
RESULT:
Template:
4D8V.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151743 for 2022 contacts (-75.0/contact) +
2D Compatibility (PS) -24764 + (NN) -10351 + (LL) 280
1D Compatibility (HY) -24800 + (ID) 6150
Total energy: -217528.0 ( -107.58 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4D8V.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4D8V-query.scw
PDB file :
Tito_Scwrl_4D8V.pdb
: