Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
1XNH Chain:A ((5-255))
----YQKLIVYLCDFLEKEVQKRGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPENKTDALNLCEKFSIPYTEYSIAPYDAIFSSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELARRLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIDTETLAQLGYDEILVKNITSRIQKNAFKLELPAIAK-----
General information:
TITO was launched using:
RESULT:
Template:
1XNH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147571 for 1988 contacts (-74.2/contact) +
2D Compatibility (PS) -26571 + (NN) -10104 + (LL) 432
1D Compatibility (HY) -36800 + (ID) 11900
Total energy: -232514.0 ( -116.96 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_1XNH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XNH-query.scw
PDB file :
Tito_Scwrl_1XNH.pdb
: