Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKIIIVAHGNFPDGILSSLELIAGHQEYVVGINFIAGMSSNDVRVALQREVIDFKE---ILVLTDLLGGTPFNVSSALSVEYT---DKKIKVLSGLNLSMLMEAVLSRTMFEHVDDLVDKVITSSHEGIVDFSTCLATQTAEATFEGGI
3IPR Chain:A ((1-137))
MLGIVIATHGALSDGAKDAATVIMGATENIETVNLNSGDDVQALGGQIKTAIENVQQGDGVLVMVDLLSASPYNQAVLVINELEPALQKKIFVVSGTNLPMVLEAINHQLLGTPIAEAAQAIVAQGKESVQAWDISM-------------
General information:
TITO was launched using:
RESULT:
Template:
3IPR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110719 for 997 contacts (-111.1/contact) +
2D Compatibility (PS) -14017 + (NN) -1017 + (LL) 908
1D Compatibility (HY) -8000 + (ID) 1600
Total energy: -134445.0 ( -134.85 by residue)
QMean score : 0.439
(partial model without unconserved sides chains):
PDB file :
Tito_3IPR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IPR-query.scw
PDB file :
Tito_Scwrl_3IPR.pdb
: