Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDKQQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
4DA6 Chain:A ((22-250))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHS---
General information:
TITO was launched using:
RESULT:
Template:
4DA6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169712 for 2003 contacts (-84.7/contact) +
2D Compatibility (PS) -24298 + (NN) -5018 + (LL) 620
1D Compatibility (HY) -28400 + (ID) 8050
Total energy: -234858.0 ( -117.25 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4DA6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DA6-query.scw
PDB file :
Tito_Scwrl_4DA6.pdb
: