Hi all,
There is a format change in the pred.tab again. Could you please fix the
formatConverter to recognise this new format, thanks.
Old:
VARS RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %s
1 G 9999.000 9999.000 0.000 0.000 0.000 0.019 0 None
2 A -103.836 142.770 34.281 15.812 40.265 0.030 10 Dyn
New:
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table
REMARK Prediction Summary for Chemical Shift Input talos+-110125.tab
REMARK
REMARK PHI is the predicted torsion angle C(i-1) N(i) CA(i) C(i)
(degrees).
REMARK PSI is the predicted torsion angle N(i) CA(i) C(i) N(i+1)
(degrees).
REMARK
REMARK DPHI and DPSI are the estimated standard deviations of the
REMARK prediction errors in PHI and PSI (degrees).
REMARK
REMARK DIST is the TALOS+ database matching score.
REMARK
REMARK S2 is the Wishart RCI chemical shift order parameter,
REMARK JACS, 127(43), 14970-14971.
REMARK
REMARK COUNT is the number of database triplets used to form
REMARK the torsion angle predictions.
REMARK
REMARK CLASS is the classification of the prediction result:
REMARK None: no torsion prediction was made.
REMARK
REMARK Good: majority consensus in database matches;
REMARK prediction is likely to be good.
REMARK
REMARK Warn: no consensus in database matches, do not use prediction.
REMARK
REMARK Dyn: RCI S2 value indicates that residue has dynamic
conformation.
REMARK
REMARK Reference:
REMARK Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax:
REMARK TALOS plus: A hybrid method for predicting protein
REMARK torsion angles from NMR chemical shifts.
REMARK J. Biomol. NMR 44, 213-223 (2009).
REMARK
REMARK TALOS+ Version 3.30F1 Rev 2011.004.13.40 TALOS_INFO
DATA FIRST_RESID 1
DATA SEQUENCE XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
DATA SEQUENCE XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
DATA SEQUENCE XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
VARS RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s
1 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 8 None
2 A -86.551 130.439 80.346 48.830 43.304 0.032 9 14 Dyn
Thanks justin
--
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117
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