Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKDYQKLIVYLCDFLEKEVQKKGFKKVVYGLSGGLDSAVVGVLCQKVFKENAHALLMPSSVSMPESRTDALNLCEKFSIPYTEYSIAPYDKIFGSHFKDASLTRKGNFCARLRMAFLYDYSLKSDSLVIGTSNKSERMLGYGTLFGDLACAINPIGELFKTEVYELAYYLNIPKKILNKPPSADLFVGQSDEKDLGYPYSVIDPLLKDIEALFQTKPIHLETLIQLGYAEILVKNIISRIQKNAFKLELPTIAKRFNPE
3P52 Chain:A ((5-246))
---DWQKITEKMCDFIQEKVKNSQSQGVVLGLSGGIDSALVATLCKRALKENVFALLMPTQISNKANLEDALRLCADLNLEYKIIEIQSILDAFIKQSENTTLVSLGNFAARIRMSLLYDYSALKNSLVIGTSNKSELLLGYGTIYGDLACAFNPIGSLYKSEIYALAKYLNLHENFIKK-----------------FSYTKIDEGLKALET---NDEKLLRTL-----DPSLIAMLKNRMQKNAFKGKMPEILE-----
General information:
TITO was launched using:
RESULT:
Template:
3P52.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140862 for 1703 contacts (-82.7/contact) +
2D Compatibility (PS) -23917 + (NN) -9025 + (LL) 1800
1D Compatibility (HY) -22800 + (ID) 5250
Total energy: -200054.0 ( -117.47 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_3P52.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3P52-query.scw
PDB file :
Tito_Scwrl_3P52.pdb
: