Comparison of PREDITOR
predictions with PDB-derived angles for Interleukin 1beta (Human) .
Chemical shifts were obtained from 1061,
Reference structure is 4I1B.
PDB Homologue: 1S0L; BLAST E value= 1e-53; %Seq Identity= 83.22
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
3 V -95.49* 31.00 NONE 125.62* 31.00 142.02 60.00* 0.85 36.32 180.00 -170.14
4 R -92.21* 31.00 -72.19 136.20* 31.00 126.59 -60.00* 0.85 -74.56 180.00 -177.82
5 S -131.56* 21.00 -125.92 172.30* 21.00 152.06 -60.00* 0.85 -75.29 180.00 175.75
6 L -152.59* 21.00 -133.06 141.67* 21.00 130.68 60.00* 0.85 -126.27 180.00 165.63
7 N -91.89* 11.00 -82.60 140.97* 11.00 152.53 -60.00* 0.85 -45.26 180.00 -156.33
8 C -160.25* 11.00 -175.35 173.18* 11.00 146.01 60.00* 0.85 73.87 180.00 161.49
9 T -125.43* 11.00 -111.33 161.87* 11.00 159.60 60.00* 0.85 55.65 180.00 178.39
10 L -136.05* 11.00 -113.51 141.92* 11.00 141.84 -60.00* 0.85 -100.76 180.00 167.66
11 R -134.11* 11.00 -132.95 144.43* 11.00 145.17 -60.00* 0.85 -137.28 180.00 -179.30
12 D -77.38* 21.00 -80.59 172.06* 21.00 172.36 60.00* 0.85 83.49 180.00 -168.21
13 S -62.77* 31.00 -69.99 -11.02* 31.00 -5.63 60.00* 0.85 47.74 180.00 179.10
14 Q -100.27* 31.00 -109.98 16.35* 31.00 7.24 -60.00* 0.85 -72.98 180.00 165.32
15 Q 63.09* 21.00 78.42 25.89* 21.00 16.49 -60.00* 0.85 -132.41 180.00 161.51
16 K -89.27* 21.00 -69.13 142.19* 21.00 133.51 -60.00* 0.85 -56.03 180.00 179.61
17 S -94.20* 21.00 -99.53 161.61* 21.00 159.87 -60.00* 0.85 -45.78 180.00 -169.88
18 L -105.06* 11.00 -104.70 137.72* 11.00 138.58 -60.00* 0.85 -94.07 180.00 -178.38
19 V -142.27* 11.00 -143.47 147.58* 11.00 155.51 -60.00* 0.85 -53.17 180.00 172.11
20 M -72.58* 11.00 -75.48 120.68* 11.00 117.36 -60.00* 0.85 -74.81 180.00 175.32
21 S -75.98* 5.50 -80.31 -76.17* 5.50 -78.57 180.00* 0.85 137.50 180.00 171.68
24 Y -131.85* 11.00 -147.38 33.61* 11.00 10.64 -60.00* 0.85 -64.03 180.00 171.40
25 E -137.79* 11.00 -116.90 145.69* 11.00 145.42 180.00* 0.85 -74.18 180.00 159.66
26 L -119.16* 11.00 -100.05 144.04* 11.00 146.67 -60.00* 0.85 -74.00 180.00 172.67
27 K -129.94* 11.00 -119.79 158.57* 11.00 149.57 -60.00* 0.85 -76.57 180.00 173.97
28 A -122.35* 11.00 -113.52 134.06* 11.00 133.76 NONE 0.00 NONE 180.00 -169.17
29 L -156.36* 11.00 -152.75 156.75* 11.00 150.24 60.00* 0.85 77.52 180.00 -179.17
30 H -71.17* 11.00 -76.80 115.98* 11.00 111.26 -60.00* 0.85 -78.82 180.00 -177.46
31 L -123.73* 11.00 -115.12 141.96* 11.00 144.21 180.00* 0.85 -85.68 180.00 167.15
32 Q -150.62* 21.00 -155.74 154.77* 21.00 168.81 180.00* 0.85 -143.66 180.00 179.81
38 Q -66.71* 41.00 -65.61 -36.00* 41.00 5.02 -60.00* 0.85 85.94 180.00 -171.15
39 Q -49.21* 41.00 -96.29 148.72* 41.00 141.69 60.00* 0.85 113.79 180.00 -170.53
40 V -75.50* 41.00 -75.42 136.43* 41.00 128.80 180.00* 0.85 165.41 180.00 170.58
41 V -104.51* 31.00 -96.43 123.42* 31.00 129.25 180.00* 0.85 178.61 180.00 176.23
42 F -99.94* 21.00 -90.39 156.32* 21.00 148.58 -60.00* 0.85 -63.69 180.00 150.21
43 S -116.38* 11.00 -99.91 103.83* 11.00 113.43 180.00* 0.85 83.75 180.00 -177.44
44 M -90.49* 11.00 -98.35 124.44* 11.00 118.60 180.00* 0.85 174.39 180.00 -176.19
45 S -110.45* 11.00 -104.25 138.43* 11.00 131.00 -60.00* 0.85 -60.97 180.00 171.03
46 F -95.81* 21.00 -82.76 104.71* 21.00 92.59 -60.00* 0.85 -43.66 180.00 -170.26
47 V -103.51* 21.00 -101.12 178.17* 21.00 170.11 -60.00* 0.85 -65.53 180.00 178.15
48 Q -75.67* 31.00 -72.76 150.26* 31.00 128.01 -60.00* 0.85 88.16 180.00 179.10
49 G 156.18* 41.00 179.11 177.32* 41.00 -165.90 NONE 0.00 NONE 180.00 -179.43
55 K -131.19* 11.00 -131.95 100.72* 11.00 117.39 180.00* 0.85 -126.52 180.00 179.79
56 I -110.30* 11.00 -124.21 125.43* 11.00 125.42 -60.00* 0.85 -41.94 180.00 -178.20
57 P -76.47* 11.00 -78.75 133.44* 11.00 131.00 32.54* 0.85 20.26 180.00 -179.44
58 V -140.22* 11.00 -132.63 166.93* 11.00 157.83 -60.00* 0.85 -65.70 180.00 157.33
59 A -123.56* 11.00 -105.67 145.99* 11.00 146.85 NONE 0.00 NONE 180.00 177.34
60 L -123.59* 11.00 -113.39 117.14* 11.00 100.88 -60.00* 0.85 -69.02 180.00 172.08
61 G -130.82* 11.00 -102.69 164.55* 11.00 167.19 NONE 0.00 NONE 180.00 172.97
62 L -79.91* 11.00 -91.97 144.80* 11.00 150.65 -60.00* 0.85 -54.60 180.00 -164.89
63 K -65.67* 11.00 -44.92 129.20* 11.00 -67.87 180.00* 0.85 -163.71 180.00 -177.72
64 E 73.92* 21.00 -128.91 -9.59* 21.00 49.30 -60.00* 0.85 -117.93 180.00 171.31
65 K -112.69* 11.00 -123.94 137.71* 11.00 144.34 -60.00* 0.85 -54.74 180.00 170.93
66 N -80.92* 11.00 -85.69 65.94* 11.00 65.23 60.00* 0.85 56.13 180.00 -178.47
67 L -138.23* 11.00 -134.92 127.03* 11.00 119.73 -60.00* 0.85 -75.08 180.00 -174.52
68 Y -128.36* 21.00 -121.76 151.12* 21.00 142.17 -60.00* 0.85 -81.71 180.00 167.09
69 L -74.63* 11.00 -71.98 138.19* 11.00 126.76 -60.00* 0.85 -59.17 180.00 173.13
70 S -135.13* 11.00 -128.88 146.17* 11.00 155.73 180.00* 0.85 44.84 180.00 170.25
71 C -113.65* 11.00 -104.32 119.82* 11.00 122.80 -60.00* 0.85 -40.69 180.00 -169.97
72 V -143.07* 11.00 -147.23 167.30* 11.00 149.11 -60.00* 0.85 114.45 180.00 178.60
73 L -87.24* 21.00 -78.31 126.05* 21.00 123.91 -60.00* 0.85 -101.95 180.00 -179.35
74 K -135.15* 21.00 -145.25 103.06* 21.00 85.00 180.00* 0.85 -104.83 180.00 -173.39
78 P -51.51* 31.00 -56.45 129.61* 31.00 133.17 -34.28* 0.85 -32.32 180.00 -175.89
79 T -136.99* 21.00 -136.21 145.12* 21.00 141.62 -60.00* 0.85 -72.10 180.00 172.59
80 L -95.80* 21.00 -91.76 133.80* 21.00 124.56 180.00* 0.85 -172.83 180.00 172.83
81 Q -149.05* 11.00 -130.07 158.80* 11.00 161.33 60.00* 0.85 50.02 180.00 163.52
82 L -93.67* 11.00 -90.35 128.88* 11.00 125.20 -60.00* 0.85 -91.22 180.00 -172.82
83 E -122.64* 11.00 -114.25 140.26* 11.00 128.89 180.00* 0.85 -137.52 180.00 167.20
84 S -83.78* 11.00 -64.05 136.63* 11.00 133.41 -60.00* 0.85 -83.52 180.00 171.13
85 V -128.57* 11.00 -123.15 163.57* 11.00 158.84 -60.00* 0.85 -56.18 180.00 168.62
86 D -65.32* 21.00 -57.63 118.59* 21.00 115.59 180.00* 0.85 -172.42 180.00 -168.71
87 P -62.36* 31.00 -75.89 -8.59* 31.00 -2.31 35.31* 0.85 19.36 180.00 175.43
88 K -91.34* 31.00 -91.88 -38.42* 31.00 -21.10 -60.00* 0.85 -78.17 180.00 -171.35
89 N -89.33* 31.00 -100.88 -0.15* 31.00 -0.84 -60.00* 0.85 -69.20 180.00 -170.71
90 Y -127.44* 21.00 -136.03 149.25* 21.00 141.68 -60.00* 0.85 -78.63 0.00 8.37
91 P -81.71* 21.00 -85.38 172.86* 21.00 160.93 38.06* 0.85 17.45 180.00 -177.88
92 K -149.65* 21.00 -123.01 152.84* 21.00 158.81 60.00* 0.85 -59.71 180.00 161.87
93 K -54.50* 5.50 -69.84 -42.04* 5.50 -45.17 -60.00* 0.85 -174.06 180.00 -179.52
94 K -103.82* 11.00 -95.23 86.17* 11.00 77.60 180.00* 0.85 -177.76 180.00 173.98
95 M -85.14* 11.00 -72.12 152.08* 11.00 155.85 -60.00* 0.85 -58.90 180.00 175.42
96 E -61.14* 11.00 -64.65 150.41* 11.00 145.71 -60.00* 0.85 -79.31 180.00 -174.20
97 K -54.64* 5.50 -53.50 -32.06* 5.50 -35.48 180.00* 0.85 -136.62 180.00 179.78
98 R -67.49* 5.50 -61.95 -21.45* 5.50 -27.30 60.00* 0.85 62.95 180.00 -177.01
99 F -90.04* 15.50 -89.22 -9.75* 15.50 7.56 -60.00* 0.85 -61.26 180.00 -171.13
100 V -89.94* 21.00 -106.07 131.92* 21.00 130.71 180.00* 0.85 169.68 180.00 168.55
101 F -126.60* 21.00 -114.29 145.77* 21.00 139.56 -60.00* 0.85 -53.96 180.00 164.04
102 N -94.99* 21.00 -87.61 112.03* 21.00 110.56 -60.00* 0.85 -53.77 180.00 169.70
103 K -78.97* 21.00 -76.65 120.89* 21.00 118.37 180.00* 0.85 -174.98 180.00 -171.40
104 I -116.69* 11.00 -120.32 138.80* 11.00 115.14 -60.00* 0.85 -54.50 180.00 176.13
105 E -117.83* 11.00 -87.53 116.77* 11.00 116.17 -60.00* 0.85 -41.98 180.00 -177.28
109 K -95.08* 11.00 -106.86 172.94* 11.00 155.39 -60.00* 0.85 -70.48 180.00 173.91
110 L -122.21* 11.00 -108.91 149.51* 11.00 142.05 -60.00* 0.85 -52.58 180.00 159.35
111 E -132.76* 11.00 -115.02 141.81* 11.00 143.83 -60.00* 0.85 -65.48 180.00 174.38
112 F -117.59* 11.00 -114.07 107.56* 11.00 100.55 -60.00* 0.85 -63.80 180.00 175.70
113 E -96.86* 21.00 -86.78 134.84* 21.00 136.89 180.00* 0.85 -158.81 180.00 175.41
114 S -68.12* 31.00 -74.23 129.53* 31.00 126.25 180.00* 0.85 149.42 180.00 171.47
115 A -71.10* 31.00 -59.31 -33.71* 31.00 -27.70 NONE 0.00 NONE 180.00 -170.74
116 Q -68.19* 21.00 -85.36 -45.40* 21.00 -37.96 180.00* 0.85 173.07 180.00 170.28
117 F -117.10* 11.00 -118.30 94.43* 11.00 99.74 -60.00* 0.85 -64.08 180.00 -175.66
118 P -50.80* 21.00 -63.04 143.11* 21.00 134.49 -32.74* 0.85 -28.04 180.00 175.86
119 N 63.06* 21.00 72.83 17.88* 21.00 19.64 -60.00* 0.85 -69.52 180.00 158.76
120 W -111.61* 21.00 -97.16 123.69* 21.00 131.09 -60.00* 0.85 -66.85 180.00 -168.90
121 Y -117.36* 11.00 -125.69 153.25* 11.00 143.40 -60.00* 0.85 -69.48 180.00 159.56
122 I -68.04* 11.00 -55.36 129.05* 11.00 118.41 -60.00* 0.85 -63.08 180.00 -172.06
123 S -134.91* 11.00 -125.93 161.23* 11.00 150.14 -60.00* 0.85 -56.10 180.00 161.44
124 T -126.98* 11.00 -119.40 160.04* 11.00 162.14 60.00* 0.85 75.40 180.00 168.59
125 S -91.80* 11.00 -71.25 157.72* 11.00 149.32 180.00* 0.85 -65.75 180.00 171.23
126 Q -67.16* 15.50 -62.79 -35.48* 15.50 -38.24 -60.00* 0.85 -147.43 180.00 176.45
127 A -64.50* 21.00 -75.31 161.07* 21.00 148.64 NONE 0.00 NONE 180.00 162.90
128 E -85.62* 21.00 -42.03 146.98* 21.00 141.24 180.00* 0.85 -65.50 180.00 150.84
129 N 54.88* 21.00 66.03 33.99* 21.00 19.93 180.00* 0.85 -117.13 180.00 166.37
130 M -101.36* 11.00 -95.69 157.46* 11.00 158.15 -60.00* 0.85 -53.71 180.00 -174.33
131 P -63.91* 11.00 -74.83 146.79* 11.00 149.82 -21.30* 0.85 -11.34 180.00 162.76
132 V -80.70* 11.00 -66.07 140.86* 11.00 131.79 180.00* 0.85 -174.22 180.00 -174.82
133 F -143.51* 11.00 -131.83 177.70* 11.00 164.53 60.00* 0.85 54.49 180.00 161.40
134 L -99.20* 11.00 -82.38 120.30* 11.00 117.87 180.00* 0.85 -139.48 180.00 -178.06
135 G -120.51* 21.00 -123.79 140.52* 21.00 145.16 NONE 0.00 NONE 180.00 -168.24
136 G -94.59* 21.00 -109.13 -0.63* 21.00 -0.38 NONE 0.00 NONE 180.00 -171.95
143 I -93.19* 21.00 -91.42 130.87* 21.00 128.69 -60.00* 0.85 -57.80 180.00 -174.34
144 T -128.16* 21.00 -121.22 8.03* 21.00 -0.37 60.00* 0.85 59.57 180.00 -179.10
145 D -117.10* 21.00 -122.48 144.54* 21.00 153.74 60.00* 0.85 57.39 180.00 -160.91
146 F -136.71* 21.00 -139.61 170.51* 21.00 152.60 -60.00* 0.85 -73.13 180.00 154.70
147 T -121.92* 21.00 -101.51 158.57* 21.00 159.77 60.00* 0.85 49.64 180.00 -178.89
148 M -118.93* 21.00 -122.03 139.32* 21.00 132.97 180.00* 0.85 175.50 180.00 174.19
149 Q -119.38* 21.00 -115.96 128.52* 21.00 136.37 -60.00* 0.85 -66.14 180.00 172.66
150 F -80.10* 31.00 -84.78 144.43* 31.00 154.54 -60.00* 0.85 -48.69 180.00 179.08
151 V -117.96* 31.00 -127.33 147.76* 31.00 141.81 -60.00* 0.85 -66.97 180.00 -177.73
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .