Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEIQGLTIAYKQKVAIDNVTLQIASGKLTGIVGPNGAGKSTLLKGMMGLIPREQGQVTLADKPLT-----YWRKKIAYVPQRSEVDLTFPITVFDMVLLGTYPALGLIKRPGKKEKQLALDALEQVEMTGFMKRQIGELSGGQLQRVFIARALAQHAEIFFLDEPFAGIDMTSEALIMRLLKKLRDN--GKTIVVVHHDFHKVAAYFDDIILL-NKKLVAHGPVEQTFTEEKIQFAYGDAPVAFAAGV
2IHY Chain:A ((22-256))
IQLDQIGRMKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMP-GYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGA---------IDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENM---------------
General information:
TITO was launched using:
RESULT:
Template:
2IHY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169563 for 1691 contacts (-100.3/contact) +
2D Compatibility (PS) -23422 + (NN) -12813 + (LL) 1716
1D Compatibility (HY) -15600 + (ID) 3250
Total energy: -222932.0 ( -131.83 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_2IHY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IHY-query.scw
PDB file :
Tito_Scwrl_2IHY.pdb
: