Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDK-QQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
1PR6 Chain:A ((5-234))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIR---QTTAAERQTTFNDMIKIALESVL-
General information:
TITO was launched using:
RESULT:
Template:
1PR6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166809 for 1922 contacts (-86.8/contact) +
2D Compatibility (PS) -23658 + (NN) -3875 + (LL) 420
1D Compatibility (HY) -25200 + (ID) 6500
Total energy: -225622.0 ( -117.39 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_1PR6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PR6-query.scw
PDB file :
Tito_Scwrl_1PR6.pdb
: