Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS
1LW1 Chain:A ((3-177))
--IEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAFEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS
General information:
TITO was launched using:
RESULT:
Template:
1LW1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97859 for 1416 contacts (-69.1/contact) +
2D Compatibility (PS) -19331 + (NN) -14297 + (LL) 180
1D Compatibility (HY) -22400 + (ID) 8700
Total energy: -162407.0 ( -114.69 by residue)
QMean score : 0.716
(partial model without unconserved sides chains):
PDB file :
Tito_1LW1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LW1-query.scw
PDB file :
Tito_Scwrl_1LW1.pdb
: