Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVLAESELGSEAQRERRKRILDATMAIASKGGYEAVQMRAVADRADVAVGTLYRYFPSKVHLLVSALGREFSRIDAKTDRSAVAGATPFQRLNFMVGKLNRAMQRNPLLTEAMTRAYVFADASAASEVDQVEKLIDSMFARAMANGEPTEDQYHIARVISDVWLSNLLAWLTRRASATDVSKRLDLAVRLLIGDQDSA
3MNL Chain:A ((13-201))
--------LGSEAQRERRKRILDATMAIASKGGYEAVQMRAVADRADVAVGTLYRYFPSKVHLLVSALGREFSRIDAKTDRSAVAGATPFQRLNFMVGKLNRAMQRNPLLTEAMTRAYVFADASAASEVDQVEKLIDSMFARAMA-GEPTEDQYHIARVISDVWLSNLLAWLTRRASATDVSKRLDLAVRLLIGDQD--
General information:
TITO was launched using:
RESULT:
Template:
3MNL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -116749 for 1410 contacts (-82.8/contact) +
2D Compatibility (PS) -20610 + (NN) -13269 + (LL) 1080
1D Compatibility (HY) -24400 + (ID) 9400
Total energy: -183348.0 ( -130.03 by residue)
QMean score : 0.694
(partial model without unconserved sides chains):
PDB file :
Tito_3MNL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MNL-query.scw
PDB file :
Tito_Scwrl_3MNL.pdb
: