Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRDLAPALQALSPLLGSWAGRGAGKYPTIRPFEYLEEVVFAHVGKPFLTYTQQTRAVADGKPLHSETGYLRVCRPGCVELVLAHPSGITEIEVGTYSVTGDVIELELSTRADGSIGLAPTAKEVTALDRSYRIDGDELSYSLQMRAVGQPLQDHLAAVLHRQR
3WJB Chain:A ((26-173))
------PFVAPLSYLLGTWRGQGEGEYPTIPSFRYGEEIRFSHSGKPVIAYTQKTWKLESGAPLLAESGYFRPRPDGSIEVVIACSTGLVEVQKGTYNVDEQSIKL----KSD----LVGNASKVKEISREFELVDGKLSYVVRLSTTTNPLQPLLKAILDK--
General information:
TITO was launched using:
RESULT:
Template:
3WJB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55213 for 1063 contacts (-51.9/contact) +
2D Compatibility (PS) -15876 + (NN) -8932 + (LL) 960
1D Compatibility (HY) -12800 + (ID) 3000
Total energy: -94861.0 ( -89.24 by residue)
QMean score : 0.434
(partial model without unconserved sides chains):
PDB file :
Tito_3WJB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WJB-query.scw
PDB file :
Tito_Scwrl_3WJB.pdb
: