Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDKQQLAD-YGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
1PKE Chain:C ((4-233))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQT-----QTTFNDMIKIALESVL-
General information:
TITO was launched using:
RESULT:
Template:
1PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157290 for 1925 contacts (-81.7/contact) +
2D Compatibility (PS) -23341 + (NN) -3080 + (LL) 860
1D Compatibility (HY) -25200 + (ID) 6450
Total energy: -214501.0 ( -111.43 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_1PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PKE-query.scw
PDB file :
Tito_Scwrl_1PKE.pdb
: