Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVRDVNFSYNGTDAILKNVSFTIQKNKINTIVGPNGSGKSTLLEILARLLSPNSGDVLLEGKSIFEWKAKE-----FAQNVAIVHQS-NVLPNELMVKELLYFGRLPYKNWRMTRTKEDDLAVERALMQTELTEKAEKFVDSLSGGERQRVFIATALVQDTPILLLDEPTTFLDMYFQLEILELVKRLNQEENLTIVMILHDLNQALMYSDHLIVMKNGEVVAKGEPEELLTTDLIAETYGVVADVLNDANNGKYIVPQRRKEF
3C41 Chain:J ((14-226))
-----------GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL---KAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITL---APMKVRKWPREKAEAKAME-LLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLAN-EGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLF---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119919 for 1632 contacts (-73.5/contact) +
2D Compatibility (PS) -22423 + (NN) -9016 + (LL) 3548
1D Compatibility (HY) -18400 + (ID) 3600
Total energy: -169810.0 ( -104.05 by residue)
QMean score : 0.449
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: