Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDKQQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
4D8Y Chain:D ((21-250))
MSVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFYNDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEETTAEERQTTFHDMIDVALHS---
General information:
TITO was launched using:
RESULT:
Template:
4D8Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171226 for 2014 contacts (-85.0/contact) +
2D Compatibility (PS) -24366 + (NN) -5584 + (LL) 412
1D Compatibility (HY) -28800 + (ID) 8100
Total energy: -237664.0 ( -118.01 by residue)
QMean score : 0.591
(partial model without unconserved sides chains):
PDB file :
Tito_4D8Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4D8Y-query.scw
PDB file :
Tito_Scwrl_4D8Y.pdb
: