Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDKQQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
4DA8 Chain:A ((22-250))
-SVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHS---
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) -169737 for 2001 contacts (-84.8/contact) +
2D Compatibility (PS) -24206 + (NN) -3958 + (LL) 620
1D Compatibility (HY) -28400 + (ID) 8050
Total energy: -233731.0 ( -116.81 by residue)
QMean score : 0.558
(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
: