Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSK-INVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
3KKQ Chain:A ((16-183))
LPTYKLVVVGDGGVGKSALTIQFFQKIFVDDYDPTIEDSYLKHTEIDNQWAILDVLDTAGQEEFSAMREQYMRTGDGFLIVYSVTDKASFEHVDRFHQLILRVKDRESFPMILVANKVDLMHLRKVTRDQGKEMATKY-NIPYIETSAKDPPLNVDKTFHDLVRVIRQQ----------------
General information:
TITO was launched using:
RESULT:
Template:
3KKQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93411 for 1345 contacts (-69.5/contact) +
2D Compatibility (PS) -18059 + (NN) -4398 + (LL) 1064
1D Compatibility (HY) -19600 + (ID) 4450
Total energy: -138854.0 ( -103.24 by residue)
QMean score : 0.710
(partial model without unconserved sides chains):
PDB file :
Tito_3KKQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKQ-query.scw
PDB file :
Tito_Scwrl_3KKQ.pdb
: