Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
1XNG Chain:A ((3-257))
--KDYQKLIVYLCDFLEKEVQKRGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPENKTDALNLCEKFSIPYTEYSIAPYDAIFSSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELARRLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIDTETLAQLGYDEILVKNITSRIQKNAFKLELPAIAKRF---
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) -159608 for 2031 contacts (-78.6/contact) +
2D Compatibility (PS) -26974 + (NN) -9362 + (LL) 212
1D Compatibility (HY) -37200 + (ID) 12100
Total energy: -245032.0 ( -120.65 by residue)
QMean score : 0.538
(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
: