Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE----
1XNG Chain:B ((3-264))
--KDYQKLIVYLCDFLEKEVQKRGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPENKTDALNLCEKFSIPYTEYSIAPYDAIFSSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELARRLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIDTETLAQLGYDEILVKNITSRIQKNAFKLELPAIAKRFNPELEHH
General information:
TITO was launched using:
RESULT:
Template:
1XNG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155226 for 2040 contacts (-76.1/contact) +
2D Compatibility (PS) -27399 + (NN) -11185 + (LL) 328
1D Compatibility (HY) -37200 + (ID) 12250
Total energy: -242932.0 ( -119.08 by residue)
QMean score : 0.570
(partial model without unconserved sides chains):
PDB file :
Tito_1XNG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XNG-query.scw
PDB file :
Tito_Scwrl_1XNG.pdb
: