Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRDLAPALQALSPLLGSWAGRGAGKYPTIRPFEYLEEVVFAHVGKPFLTYTQQTRAVADGKPLHSETGYLRVCRPGCVELVLAHPSGITEIEVGTYSVTGDVIELELSTRADGSIGLAPTAKEVTALDRSYRIDGDELSYSLQMRAVGQPLQDHLAAVLHRQR
3WJE Chain:A ((18-165))
------PFVAPLSYLLGTWRGQGEGEYPTIPSFRYGEEIRFSHSGKPVIAYTQKTWKLESGAPWLAESGYFRPRPDGSIEVVIACSTGLVEVQKGTYNVDEQSIKL----KSD----LVGNASKVKEISREFELVDGKLSYVVRLSTTTNPLQPLLKAILDK--
General information:
TITO was launched using:
RESULT:
Template:
3WJE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61987 for 1072 contacts (-57.8/contact) +
2D Compatibility (PS) -15835 + (NN) -8938 + (LL) 960
1D Compatibility (HY) -12800 + (ID) 2950
Total energy: -101550.0 ( -94.73 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_3WJE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WJE-query.scw
PDB file :
Tito_Scwrl_3WJE.pdb
: