Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDK-QQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
1PR5 Chain:A ((5-234))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHI------TAAERQTTFNDMIKIALESVL-
General information:
TITO was launched using:
RESULT:
Template:
1PR5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164540 for 1962 contacts (-83.9/contact) +
2D Compatibility (PS) -23206 + (NN) -3113 + (LL) 708
1D Compatibility (HY) -25600 + (ID) 6450
Total energy: -222201.0 ( -113.25 by residue)
QMean score : 0.531
(partial model without unconserved sides chains):
PDB file :
Tito_1PR5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PR5-query.scw
PDB file :
Tito_Scwrl_1PR5.pdb
: