Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKEGRPFEEVIKEICSIVDGPVSAEVIGLEADKMVEEARILAKWAPNVVVKIPMTEEGLKAVHTLTAEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDIGTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
3R8R Chain:D ((1-210))
MLFFVDTANIDEIREANELGILAGVTTNPSLVA----SFHDRLREITDVVKGSVSAEVISLKAEEMIEEGKELAKIAPNITVKIPMTSDGLKAVRALTDLGIKTNVTLIFNANQALLAARAGATYVSPFLGRLDDIGHNGLDLISEVKQIFDIHGLDTQIIAASIRHPQHVTEAALRGAHIGTMPLKVIHALTKHPLTDKGIEQFLADW---------
General information:
TITO was launched using:
RESULT:
Template:
3R8R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148130 for 1679 contacts (-88.2/contact) +
2D Compatibility (PS) -22272 + (NN) -4327 + (LL) 484
1D Compatibility (HY) -22400 + (ID) 6050
Total energy: -202695.0 ( -120.72 by residue)
QMean score : 0.603
(partial model without unconserved sides chains):
PDB file :
Tito_3R8R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R8R-query.scw
PDB file :
Tito_Scwrl_3R8R.pdb
: