Comparison of PREDITOR
predictions with PDB-derived angles for Ubiquitin (Human) .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 1UBQ.
PDB Homologue: 1YIW; BLAST E value= 2e-30; %Seq Identity= 98.61
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 M NONE 21.00 NONE 137.85* 21.00 149.63 180.00* 0.85 80.37 180.00 178.31
2 Q -103.51* 11.00 -91.02 131.12* 11.00 138.26 -60.00* 0.85 165.96 180.00 173.36
3 I -127.17* 11.00 -131.10 159.32* 11.00 163.05 60.00* 0.85 60.27 180.00 179.57
4 F -114.07* 11.00 -115.99 139.87* 11.00 140.23 -60.00* 0.85 -60.67 180.00 175.79
5 V -121.15* 11.00 -118.03 117.78* 11.00 114.22 180.00* 0.85 -179.79 180.00 -178.12
6 K -93.14* 11.00 -95.23 141.30* 11.00 127.54 -60.00* 0.85 -175.56 180.00 179.94
7 T -107.63* 11.00 -99.58 171.26* 11.00 170.75 60.00* 0.85 76.71 180.00 -177.98
8 L -71.35* 21.00 -73.43 -11.73* 21.00 -6.94 -60.00* 0.85 -68.17 180.00 179.94
9 T -99.92* 31.00 -101.40 3.50* 31.00 14.93 60.00* 0.85 70.71 180.00 179.80
10 G 98.09* 41.00 77.44 2.62* 41.00 16.54 NONE 0.00 NONE 180.00 175.01
11 K -80.72* 41.00 -96.27 144.38* 41.00 138.08 180.00* 0.85 -179.28 180.00 176.16
12 T -107.76* 31.00 -119.94 127.07* 31.00 131.76 -60.00* 0.85 -63.40 180.00 179.70
13 I -102.95* 21.00 -109.47 127.50* 21.00 141.99 -60.00* 0.85 125.72 180.00 178.15
14 T -100.44* 21.00 -101.44 132.17* 21.00 139.74 -60.00* 0.85 66.52 180.00 -179.26
15 L -124.58* 11.00 -126.41 142.78* 11.00 154.00 -60.00* 0.85 -117.78 180.00 173.99
16 E -96.89* 11.00 -111.80 125.94* 11.00 121.13 180.00* 0.85 -75.05 180.00 -177.94
17 V -141.22* 11.00 -139.02 164.97* 11.00 170.72 -60.00* 0.85 -62.54 180.00 174.70
18 E -95.11* 11.00 -120.04 153.50* 11.00 144.51 -60.00* 0.85 -73.86 180.00 177.73
19 P -58.51* 5.50 -54.94 -27.89* 5.50 -24.53 13.25* 0.85 -28.95 180.00 -177.54
20 S -99.37* 5.50 -79.84 9.78* 5.50 -8.14 -60.00* 0.85 35.73 180.00 -179.00
21 D -51.32* 11.00 -71.01 138.45* 11.00 148.44 -60.00* 0.85 -80.58 180.00 175.73
22 T -78.54* 11.00 -83.70 162.26* 11.00 160.43 60.00* 0.85 60.61 180.00 175.79
23 I -63.04* 5.50 -61.33 -33.63* 5.50 -37.21 -60.00* 0.85 -60.92 180.00 177.00
24 E -56.05* 5.50 -57.57 -46.22* 5.50 -40.49 180.00* 0.85 -169.60 180.00 -179.64
25 N -61.84* 5.50 -65.49 -39.92* 5.50 -44.44 -60.00* 0.85 177.55 180.00 178.62
26 V -67.01* 5.50 -58.42 -40.09* 5.50 -46.41 180.00* 0.85 168.23 180.00 -179.78
27 K -58.67* 5.50 -60.81 -39.00* 5.50 -37.96 -60.00* 0.85 -71.71 180.00 176.86
28 A -68.66* 5.50 -66.12 -36.03* 5.50 -38.12 NONE 0.00 NONE 180.00 176.03
29 K -67.67* 5.50 -64.22 -35.89* 5.50 -37.26 -60.00* 0.85 -60.82 180.00 179.91
30 I -69.39* 5.50 -70.00 -38.94* 5.50 -39.56 -60.00* 0.85 -70.89 180.00 179.46
31 Q -56.81* 5.50 -62.13 -43.80* 5.50 -48.63 180.00* 0.85 176.95 180.00 179.14
32 D -66.68* 5.50 -53.41 -42.15* 5.50 -41.77 -60.00* 0.85 -150.08 180.00 -175.65
33 K -69.54* 21.00 -93.58 -42.67* 21.00 -24.40 -60.00* 0.85 78.32 180.00 179.87
34 E -121.86* 21.00 -123.58 -9.70* 21.00 -6.35 -60.00* 0.85 -60.08 180.00 176.50
35 G 84.89* 21.00 81.22 5.49* 21.00 5.32 NONE 0.00 NONE 180.00 179.71
36 I -88.80* 11.00 -79.73 124.29* 11.00 124.87 -60.00* 0.85 -54.44 180.00 178.30
37 P -60.44* 11.00 -57.00 138.25* 11.00 136.97 -19.53* 0.85 -31.57 180.00 -179.29
38 P -54.55* 5.50 -57.18 -36.01* 5.50 -32.17 -28.66* 0.85 -28.39 180.00 -177.44
39 D -68.77* 15.50 -68.24 -13.20* 15.50 -15.57 60.00* 0.85 134.58 180.00 178.71
40 Q -94.02* 31.00 -95.80 -8.73* 31.00 -10.47 -60.00* 0.85 -61.88 180.00 -177.62
41 Q -91.47* 31.00 -84.83 138.71* 31.00 129.70 -60.00* 0.85 -53.13 180.00 172.10
42 R -131.61* 31.00 -121.24 129.43* 31.00 115.96 -60.00* 0.85 161.69 180.00 -177.51
43 L -112.54* 11.00 -103.56 144.70* 11.00 130.24 -60.00* 0.85 -68.26 180.00 -177.56
44 I -131.96* 11.00 -122.07 138.28* 11.00 131.81 -60.00* 0.85 -48.87 180.00 177.59
45 F -132.96* 21.00 -144.27 120.51* 21.00 129.64 180.00* 0.85 178.04 180.00 177.38
46 A 55.06* 31.00 48.17 41.85* 31.00 45.99 NONE 0.00 NONE 180.00 -179.53
47 G 84.51* 31.00 61.71 -8.02* 31.00 21.62 NONE 0.00 NONE 180.00 177.65
48 K -93.70* 31.00 -115.07 132.75* 31.00 142.71 -60.00* 0.85 -61.53 180.00 174.57
49 Q -81.07* 31.00 -85.77 123.46* 31.00 130.28 -60.00* 0.85 -172.64 180.00 -175.92
50 L -93.87* 31.00 -79.56 140.74* 31.00 138.33 -60.00* 0.85 -50.76 180.00 -177.70
51 E -103.01* 31.00 -101.83 138.04* 31.00 139.96 -60.00* 0.85 173.03 180.00 -175.84
52 D -56.00* 21.00 -48.19 -37.10* 21.00 -42.21 -60.00* 0.85 -77.97 180.00 -177.24
53 G -92.57* 21.00 -82.93 16.08* 21.00 -8.89 NONE 0.00 NONE 180.00 176.47
54 R -107.67* 11.00 -85.45 162.67* 11.00 165.46 -60.00* 0.85 -55.91 180.00 177.11
55 T -97.74* 11.00 -104.51 162.21* 11.00 164.59 60.00* 0.85 59.85 180.00 177.18
56 L -58.34* 5.50 -61.22 -44.15* 5.50 -36.21 -60.00* 0.85 -60.29 180.00 -179.45
57 S -61.22* 5.50 -63.89 -32.73* 5.50 -29.62 -60.00* 0.85 59.35 180.00 179.76
58 D -61.02* 5.50 -55.55 -27.43* 5.50 -39.30 -60.00* 0.85 -72.99 180.00 179.28
59 Y -101.23* 31.00 -91.02 8.00* 31.00 4.65 -60.00* 0.85 -63.29 180.00 179.92
60 N 59.74* 31.00 57.94 35.79* 31.00 45.36 -60.00* 0.85 -159.07 180.00 175.85
61 I -79.06* 31.00 -88.67 131.78* 31.00 116.44 -60.00* 0.85 -69.62 180.00 -176.84
62 Q -126.20* 21.00 -103.44 -175.85* 21.00 169.54 -60.00* 0.85 -79.36 180.00 -176.92
63 K -46.70* 21.00 -54.79 124.40* 21.00 143.06 180.00* 0.85 49.73 180.00 179.49
64 E 66.50* 21.00 66.90 20.96* 21.00 19.15 -60.00* 0.85 -72.19 180.00 174.80
65 S -65.43* 21.00 -71.15 149.33* 21.00 159.52 -60.00* 0.85 -73.23 180.00 175.93
66 T -107.31* 21.00 -119.15 128.72* 21.00 126.67 -60.00* 0.85 -60.60 180.00 175.08
67 L -110.31* 21.00 -103.14 163.52* 21.00 154.61 -60.00* 0.85 -43.50 180.00 177.98
68 H -116.61* 21.00 -105.58 137.16* 21.00 135.67 -60.00* 0.85 -69.15 180.00 176.58
69 L -100.72* 21.00 -106.97 126.45* 21.00 115.78 180.00* 0.85 172.76 180.00 175.08
70 V -124.06* 21.00 -108.12 168.09* 21.00 139.93 180.00* 0.85 177.03 180.00 178.44
71 L -128.42* 21.00 -96.02 163.64* 21.00 138.80 60.00* 0.85 -108.13 180.00 177.24
72 R -138.51* 21.00 -117.62 119.86* 21.00 98.81 180.00* 0.85 133.85 180.00 -179.31
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