Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIED
2I2F Chain:A ((1-264))
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGNGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKY--GKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIED
General information:
TITO was launched using:
RESULT:
Template:
2I2F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145728 for 2098 contacts (-69.5/contact) +
2D Compatibility (PS) -28318 + (NN) -11409 + (LL) 32
1D Compatibility (HY) -38400 + (ID) 13000
Total energy: -236823.0 ( -112.88 by residue)
QMean score : 0.479
(partial model without unconserved sides chains):
PDB file :
Tito_2I2F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I2F-query.scw
PDB file :
Tito_Scwrl_2I2F.pdb
: