NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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549746 |
2lug   |
18520 | cing | 1-original | 1 | NMRPipe | dihedral angle |
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input myshifts.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 3.70F1 Rev 2012.029.12.03 TALOS_INFO DATA FIRST_RESID 1 DATA SEQUENCE SQHGRTQDENPVVHFFKNIVTPRTPPPSQGKGRGLS 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 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None 2 Q -78.000 134.000 65.000 22.000 26.690 0.597 10 15 Dyn 3 H -56.000 128.000 50.000 28.000 33.830 0.617 10 13 Dyn 4 G 112.315 158.653 108.752 33.729 36.539 0.591 9 13 Dyn 5 R -82.977 125.777 62.704 26.835 34.506 0.577 10 13 Dyn 6 T -59.000 134.000 75.000 41.000 31.490 0.605 10 15 Dyn 7 Q -71.000 125.000 70.000 20.000 28.910 0.663 8 15 Dyn 8 D -70.000 134.000 63.000 20.000 27.650 0.742 9 15 Dyn 9 E -78.000 129.000 63.000 26.000 28.210 0.763 10 15 Dyn 10 N -86.000 138.000 30.000 19.000 47.190 0.805 10 14 Dyn 11 P -57.000 -32.000 10.000 9.000 61.570 0.835 10 14 Good 12 V -62.000 -40.000 9.000 10.000 45.250 0.888 10 14 Good 13 V -63.000 -46.000 6.000 5.000 26.420 0.915 10 15 Good 14 H -60.000 -37.000 6.000 4.000 25.450 0.934 10 15 Good 15 F -64.000 -46.000 5.000 6.000 25.500 0.934 10 15 Good 16 F -64.000 -40.000 6.000 14.000 24.970 0.929 10 15 Good 17 K -59.000 -40.000 5.000 10.000 26.090 0.915 10 15 Good 18 N -69.000 -29.000 7.000 9.000 27.440 0.892 10 15 Good 19 I -68.000 -38.000 9.000 8.000 31.700 0.853 10 15 Good 20 V -95.000 -9.000 19.000 14.000 37.790 0.816 10 15 Good 21 T -104.000 143.000 31.000 27.000 59.330 0.743 10 14 Dyn 22 P -67.000 150.000 12.000 11.000 66.580 0.710 10 14 Good 23 R -68.000 136.000 78.000 41.000 45.550 0.691 10 14 Dyn 24 T -100.000 133.000 27.000 17.000 49.170 0.740 10 14 Dyn 25 P -71.000 146.000 11.000 8.000 73.590 0.728 10 13 Good 26 P -68.000 155.000 6.000 10.000 86.470 0.701 10 12 Good 27 P -70.000 152.000 8.000 9.000 67.190 0.629 10 13 Good 28 S -55.000 139.000 71.000 43.000 47.880 0.594 10 14 Dyn 29 Q -91.000 -16.000 27.000 28.000 36.920 0.570 8 14 Dyn 30 G -152.000 154.000 91.000 28.000 34.840 0.561 8 14 Dyn 31 K -86.000 139.000 30.000 28.000 38.910 0.557 10 13 Dyn 32 G 1.000 158.000 99.000 37.000 34.370 0.548 8 14 Dyn 33 R -90.000 -2.000 21.000 10.000 49.100 0.527 5 13 Dyn 34 G 93.000 -2.000 13.000 21.000 67.930 0.479 10 14 Dyn 35 L -65.000 127.000 55.000 16.000 41.580 0.432 10 14 Dyn 36 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None # talos2cns_phi_psi.tbl
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