Comparison of PREDITOR
predictions with PDB-derived angles for Staphylococcal Nuclease .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 1SNC.
PDB Homologue: 1SNM; BLAST E value= 6e-55; %Seq Identity= 88.15
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
9 K -75.42* 31.00 -86.36 132.06* 31.00 146.61 -60.00* 0.85 -60.15 180.00 175.97
10 E -124.90* 31.00 -133.26 150.20* 31.00 149.84 -60.00* 0.85 -52.68 180.00 -178.10
11 P -75.77* 31.00 -72.21 158.19* 31.00 150.36 -1.13* 0.85 -8.97 180.00 176.95
12 A -153.41* 31.00 -147.56 167.77* 31.00 160.68 NONE 0.00 NONE 180.00 179.40
13 T -124.94* 21.00 -120.49 135.01* 21.00 131.64 -60.00* 0.85 -57.70 180.00 -179.16
14 L -64.51* 21.00 -62.84 135.06* 21.00 138.04 180.00* 0.85 -158.41 180.00 172.49
15 I -111.99* 21.00 -107.59 -60.20* 21.00 -58.02 -60.00* 0.85 -64.36 180.00 -178.84
16 K -167.43* 31.00 -165.97 141.76* 31.00 135.68 180.00* 0.85 152.11 180.00 178.62
17 A -74.74* 31.00 -80.99 127.58* 31.00 132.44 NONE 0.00 NONE 180.00 -179.20
18 I -94.91* 31.00 -98.68 -57.50* 31.00 -48.90 -60.00* 0.85 -61.71 180.00 178.19
19 D -158.13* 21.00 -156.03 -161.18* 21.00 -165.64 60.00* 0.85 78.06 180.00 -172.85
20 G -57.80* 21.00 -60.24 -34.02* 21.00 -34.33 NONE 0.00 NONE 180.00 -174.50
21 D -128.05* 21.00 -121.70 17.00* 21.00 12.66 60.00* 0.85 68.92 180.00 -178.51
22 T -135.64* 21.00 -137.11 127.61* 21.00 130.54 -60.00* 0.85 -57.06 180.00 179.55
23 V -138.54* 21.00 -142.21 149.25* 21.00 148.01 -60.00* 0.85 -47.42 180.00 177.71
24 K -98.84* 11.00 -97.85 135.28* 11.00 129.94 -60.00* 0.85 -44.68 180.00 -178.51
25 L -131.53* 11.00 -131.77 159.89* 11.00 157.13 -60.00* 0.85 -52.92 180.00 173.75
26 M -93.76* 21.00 -97.46 116.51* 21.00 120.79 180.00* 0.85 -173.07 180.00 -177.14
27 Y -124.07* 21.00 -132.96 117.53* 21.00 118.77 180.00* 0.85 170.08 180.00 179.94
28 K 56.39* 21.00 58.24 40.85* 21.00 39.45 -60.00* 0.85 -69.81 180.00 -179.26
29 G 67.43* 21.00 72.53 20.98* 21.00 15.32 NONE 0.00 NONE 180.00 -179.43
30 Q -131.69* 11.00 -133.28 140.43* 11.00 138.92 60.00* 0.85 -164.12 180.00 178.10
31 P -76.21* 21.00 -70.71 134.28* 21.00 133.03 19.50* 0.85 22.03 180.00 178.73
32 M -145.05* 21.00 -150.74 154.33* 21.00 153.11 -60.00* 0.85 -67.14 180.00 173.95
33 T -93.48* 21.00 -101.06 135.37* 21.00 131.35 -60.00* 0.85 136.64 180.00 179.51
34 F -114.75* 11.00 -107.53 148.32* 11.00 142.39 -60.00* 0.85 -83.92 180.00 174.33
35 R -124.81* 11.00 -116.83 130.65* 11.00 127.82 180.00* 0.85 167.18 180.00 179.67
36 L -63.07* 21.00 -60.63 124.09* 21.00 124.85 -60.00* 0.85 -69.75 180.00 175.11
37 L -64.47* 21.00 -65.12 146.03* 21.00 151.93 -60.00* 0.85 -85.08 180.00 172.72
38 L 66.62* 21.00 58.91 7.77* 21.00 13.22 -60.00* 0.85 -57.79 180.00 179.31
39 V -134.71* 11.00 -138.62 173.63* 11.00 171.97 -60.00* 0.85 -51.02 180.00 176.83
40 D -147.66* 11.00 -148.78 114.19* 11.00 113.54 180.00* 0.85 -166.50 180.00 175.76
41 T -93.86* 11.00 -96.11 156.47* 11.00 154.28 60.00* 0.85 58.08 180.00 178.72
42 P -61.49* 11.00 -60.78 138.95* 11.00 140.25 -21.75* 0.85 -20.18 180.00 -178.74
56 P -56.65* 5.50 -60.12 -40.23* 5.50 -39.97 -14.27* 0.85 -24.21 180.00 177.26
57 E -59.91* 5.50 -65.30 -50.36* 5.50 -45.13 -60.00* 0.85 -75.72 180.00 177.96
58 A -58.35* 5.50 -61.57 -45.15* 5.50 -43.06 NONE 0.00 NONE 180.00 178.38
59 S -60.46* 5.50 -62.97 -43.48* 5.50 -43.05 -60.00* 0.85 -70.56 180.00 -177.35
60 A -74.47* 5.50 -65.70 -28.60* 5.50 -40.62 NONE 0.00 NONE 180.00 -178.25
61 F -62.79* 5.50 -60.04 -55.11* 5.50 -56.78 180.00* 0.85 -172.18 180.00 178.91
62 T -57.19* 5.50 -55.48 -46.77* 5.50 -48.91 -60.00* 0.85 -52.77 180.00 179.85
63 K -59.75* 5.50 -51.05 -38.30* 5.50 -54.16 180.00* 0.85 -171.20 180.00 -177.83
64 K -66.92* 5.50 -55.01 -47.94* 5.50 -52.31 60.00* 0.85 -135.42 180.00 -178.61
65 M -60.70* 5.50 -55.62 -44.11* 5.50 -49.42 180.00* 0.85 -161.09 180.00 -177.07
66 V -77.89* 5.50 -79.02 -34.66* 5.50 -29.05 -60.00* 0.85 -60.20 180.00 -175.35
67 E -73.36* 5.50 -76.80 -25.33* 5.50 -31.34 -60.00* 0.85 -64.49 180.00 -178.69
68 N -91.79* 21.00 -86.55 -0.45* 21.00 -5.00 -60.00* 0.85 -63.16 180.00 -176.70
69 A -77.18* 21.00 -73.24 146.46* 21.00 142.90 NONE 0.00 NONE 180.00 172.19
70 K -80.31* 21.00 -71.97 -49.41* 21.00 -49.79 -60.00* 0.85 -61.88 180.00 -175.96
71 K -121.79* 11.00 -126.31 135.05* 11.00 137.57 -60.00* 0.85 -51.45 180.00 174.53
72 I -114.54* 11.00 -116.99 139.80* 11.00 140.28 -60.00* 0.85 -74.65 180.00 176.34
73 E -134.65* 11.00 -135.37 143.87* 11.00 147.90 -60.00* 0.85 -64.55 180.00 179.53
74 V -115.79* 11.00 -116.22 143.00* 11.00 139.94 -60.00* 0.85 -58.97 180.00 177.58
75 E -130.33* 11.00 -129.51 111.95* 11.00 111.68 180.00* 0.85 173.09 180.00 179.78
76 F -72.59* 21.00 -78.49 155.18* 21.00 156.15 -60.00* 0.85 -71.63 180.00 177.73
77 N -95.40* 21.00 -91.27 -157.25* 21.00 -166.31 180.00* 0.85 -147.30 180.00 -176.05
78 K -87.16* 31.00 -92.29 -19.71* 31.00 -9.37 -60.00* 0.85 68.44 180.00 177.65
79 G -102.83* 31.00 -102.34 -134.64* 31.00 -144.95 NONE 0.00 NONE 180.00 178.30
80 Q -50.62* 31.00 -56.89 128.88* 31.00 143.00 -60.00* 0.85 -29.37 180.00 -177.33
81 R -98.38* 21.00 -103.13 -4.09* 21.00 -3.71 -60.00* 0.85 -65.88 180.00 178.93
82 T -138.24* 11.00 -137.46 153.74* 11.00 150.63 60.00* 0.85 63.57 180.00 176.42
83 D -92.62* 31.00 -96.39 175.85* 31.00 178.09 60.00* 0.85 71.45 180.00 -175.92
84 K -64.86* 41.00 -61.90 -8.01* 41.00 -11.90 60.00* 0.85 66.69 180.00 179.41
85 Y -96.76* 41.00 -95.99 0.18* 41.00 -0.24 -60.00* 0.85 -62.66 180.00 -177.80
86 G 82.81* 41.00 82.67 4.03* 41.00 15.88 NONE 0.00 NONE 180.00 -179.97
87 R -78.82* 41.00 -88.38 145.68* 41.00 137.19 -60.00* 0.85 -64.23 180.00 178.18
88 G -76.78* 31.00 -68.81 145.29* 31.00 145.06 NONE 0.00 NONE 180.00 177.98
89 L -107.78* 21.00 -110.12 111.79* 21.00 108.15 -60.00* 0.85 -66.73 180.00 -178.20
90 A -149.66* 11.00 -149.36 173.95* 11.00 171.32 NONE 0.00 NONE 180.00 167.75
91 Y -95.11* 11.00 -95.13 128.19* 11.00 130.27 -60.00* 0.85 -56.95 180.00 -179.58
92 I -109.07* 11.00 -111.32 138.06* 11.00 136.39 -60.00* 0.85 -65.23 180.00 -179.38
93 Y -120.38* 11.00 -118.08 132.32* 11.00 139.31 -60.00* 0.85 -68.41 180.00 178.50
94 A -116.88* 11.00 -119.19 112.25* 11.00 110.07 NONE 0.00 NONE 180.00 -178.95
95 D 53.94* 11.00 52.18 47.18* 11.00 42.89 -60.00* 0.85 -72.31 180.00 175.91
96 G 70.78* 11.00 76.16 1.29* 11.00 9.12 NONE 0.00 NONE 180.00 178.51
97 K -94.23* 11.00 -106.36 124.35* 11.00 128.81 180.00* 0.85 -159.85 180.00 -179.03
98 M -72.71* 11.00 -70.56 118.68* 11.00 117.55 180.00* 0.85 -157.05 180.00 178.66
99 V -60.11* 5.50 -62.51 -42.00* 5.50 -40.21 180.00* 0.85 177.55 180.00 -176.53
100 N -50.81* 5.50 -54.85 -44.11* 5.50 -44.76 -60.00* 0.85 -36.67 180.00 -176.14
101 E -74.91* 5.50 -74.36 -39.91* 5.50 -39.93 180.00* 0.85 -173.31 180.00 179.41
102 A -53.81* 5.50 -55.61 -47.68* 5.50 -44.43 NONE 0.00 NONE 180.00 178.53
103 L -61.20* 5.50 -60.82 -46.90* 5.50 -49.56 -60.00* 0.85 -76.67 180.00 179.60
104 V -63.19* 5.50 -62.34 -45.32* 5.50 -48.39 180.00* 0.85 174.38 180.00 -178.72
105 R -59.32* 21.00 -56.14 -34.63* 21.00 -32.61 180.00* 0.85 179.28 180.00 -179.71
106 Q -81.76* 21.00 -87.21 -0.51* 21.00 -1.45 -60.00* 0.85 -64.66 180.00 -179.01
107 G 72.68* 21.00 75.38 26.38* 21.00 24.97 NONE 0.00 NONE 180.00 179.34
108 L -106.96* 5.50 -102.04 3.42* 5.50 5.42 -60.00* 0.85 -64.08 180.00 -179.86
109 A -149.26* 11.00 -162.72 157.64* 11.00 155.97 NONE 0.00 NONE 180.00 177.46
110 K -116.07* 11.00 -108.80 155.50* 11.00 155.84 60.00* 0.85 -64.34 180.00 174.47
111 V -66.27* 11.00 -75.24 123.14* 11.00 125.74 180.00* 0.85 164.28 180.00 -178.42
112 A -146.94* 21.00 -148.03 169.65* 21.00 172.08 NONE 0.00 NONE 180.00 173.02
113 Y 51.23* 21.00 53.83 57.59* 21.00 47.21 -60.00* 0.85 -62.77 180.00 -178.85
114 V -87.05* 21.00 -80.44 107.40* 21.00 109.11 180.00* 0.85 -177.39 180.00 178.78
115 Y -114.87* 21.00 -122.20 101.34* 21.00 108.56 -60.00* 0.85 -54.98 180.00 176.64
116 K -52.89* 21.00 -64.55 143.75* 21.00 148.63 -60.00* 0.85 -37.50 0.00 -1.72
117 P -88.11* 21.00 -85.45 12.25* 21.00 16.51 26.91* 0.85 28.85 180.00 -177.63
118 N -86.36* 21.00 -84.17 63.26* 21.00 65.38 -60.00* 0.85 -85.68 180.00 -177.31
119 N -140.12* 11.00 -144.87 28.31* 11.00 31.69 60.00* 0.85 65.92 180.00 -178.06
120 T -49.34* 5.50 -53.02 -43.91* 5.50 -42.68 -60.00* 0.85 -55.47 180.00 -174.53
121 H -100.61* 5.50 -102.20 19.16* 5.50 22.27 -60.00* 0.85 -56.86 180.00 -179.04
122 E -55.06* 5.50 -56.83 -37.01* 5.50 -46.34 180.00* 0.85 178.87 180.00 -178.29
123 Q -67.51* 5.50 -64.63 -48.02* 5.50 -44.56 -60.00* 0.85 -63.83 180.00 176.18
124 H -58.07* 5.50 -56.12 -50.16* 5.50 -53.45 180.00* 0.85 178.38 180.00 176.79
125 L -65.65* 5.50 -61.79 -39.04* 5.50 -38.04 -60.00* 0.85 -61.16 180.00 -179.22
126 R -63.67* 5.50 -65.47 -40.09* 5.50 -33.71 -60.00* 0.85 -92.23 180.00 -179.36
127 K -63.60* 5.50 -70.69 -36.24* 5.50 -39.35 -60.00* 0.85 36.92 180.00 179.96
128 S -73.54* 5.50 -63.00 -35.80* 5.50 -38.51 -60.00* 0.85 -77.79 180.00 -179.37
129 E -64.27* 5.50 -63.96 -38.41* 5.50 -39.97 180.00* 0.85 -170.56 180.00 -179.79
130 A -59.89* 5.50 -62.81 -44.89* 5.50 -39.23 NONE 0.00 NONE 180.00 177.70
131 Q -63.75* 5.50 -65.42 -43.88* 5.50 -46.71 180.00* 0.85 -164.90 180.00 176.70
132 A -64.41* 5.50 -60.04 -37.43* 5.50 -39.18 NONE 0.00 NONE 180.00 -179.92
133 K -68.42* 5.50 -66.54 -52.06* 5.50 -49.09 -60.00* 0.85 -146.22 180.00 179.39
134 K -57.04* 5.50 -68.83 -33.31* 5.50 -19.37 180.00* 0.85 71.62 180.00 173.04
135 E -89.56* 31.00 -97.47 2.45* 31.00 3.72 -60.00* 0.85 -53.29 180.00 178.23
136 K 58.07* 31.00 51.79 39.37* 31.00 45.98 -60.00* 0.85 -35.31 180.00 -175.86
137 L -92.82* 31.00 -85.46 140.70* 31.00 135.82 -60.00* 0.85 -69.91 180.00 176.32
138 N 40.38* 31.00 40.72 -119.95* 31.00 -108.05 -60.00* 0.85 -65.95 180.00 -179.78
139 I -45.78* 31.00 -42.04 -30.08* 31.00 -48.03 60.00* 0.85 -88.09 180.00 -175.41
140 W -95.34* 31.00 -83.67 13.37* 31.00 2.69 -60.00* 0.85 -53.24 180.00 -175.53
141 S -66.62* 31.00 -79.21 -47.44* 31.00 NONE -60.00* 0.85 71.17 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .