Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
3Q72 Chain:A ((2-165))
--VYKVLLLGAPGVGKSALARIFGGV-----------HTYDRSIVVDGEEASLMVYDIW---------------GDAYVIVYSVTDKGSFEKASELRVQLRRAR---DVPIILVGNKSDLVRSREVSVDEGRACAVVF-DCKFIETSAALHHNVQALFEGVVRQIRLR----------------
General information:
TITO was launched using:
RESULT:
Template:
3Q72.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92428 for 1109 contacts (-83.3/contact) +
2D Compatibility (PS) -14864 + (NN) -3210 + (LL) 3508
1D Compatibility (HY) -11200 + (ID) 2700
Total energy: -120894.0 ( -109.01 by residue)
QMean score : 0.509
(partial model without unconserved sides chains):
PDB file :
Tito_3Q72.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3Q72-query.scw
PDB file :
Tito_Scwrl_3Q72.pdb
: