Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVEVEHLTGGYTKRPVLKDISFAIEEKQIVGLIGLNGAGKSTTIKHITGLMHPKQGTIKINNHQLVE---DTETYRKQFSYIPETPVLYEELTLKEHLELTGMAYG-ISEEELHARMTPLLKEFRLEKKLNWFPAHFSKGMKQKVMIMSAFLIEPKLYIIDEPFVGLDPLGIQSLLNWMDEMRSKGASILMSTHILATAEKYCDTFIIIHQGEIRAEGTLKDLQTNFEMPGASLDEIYIQLTKEEEADEDDI
2OLJ Chain:A ((22-251))
LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQ------------------------
General information:
TITO was launched using:
RESULT:
Template:
2OLJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151998 for 1875 contacts (-81.1/contact) +
2D Compatibility (PS) -24495 + (NN) -9539 + (LL) 1664
1D Compatibility (HY) -18800 + (ID) 3050
Total energy: -206218.0 ( -109.98 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_2OLJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OLJ-query.scw
PDB file :
Tito_Scwrl_2OLJ.pdb
: