Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDK-QQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
1PR6 Chain:B ((5-234))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHI----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) -164317 for 1933 contacts (-85.0/contact) +
2D Compatibility (PS) -23704 + (NN) -3536 + (LL) 552
1D Compatibility (HY) -25600 + (ID) 6500
Total energy: -223105.0 ( -115.42 by residue)
QMean score : 0.579
(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
: