Comparison of PREDITOR
predictions with PDB-derived angles for Phosphocarrier protein III (E.coli) .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 1F3G.
PDB Homologue: 1O2F; BLAST E value= 5e-56; %Seq Identity= 93.92
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
21 E -103.80* 31.00 -130.42 127.33* 31.00 136.21 -60.00* 0.85 -162.17 180.00 -178.53
22 I -97.00* 31.00 -102.36 124.43* 31.00 118.68 -60.00* 0.85 -85.58 180.00 179.56
23 I -94.05* 31.00 -84.16 149.00* 31.00 146.37 -60.00* 0.85 -95.60 180.00 179.91
24 A -55.75* 31.00 -46.30 127.40* 31.00 124.09 NONE 0.00 NONE 180.00 177.47
25 P -83.50* 31.00 -84.71 -15.86* 31.00 -8.43 31.64* 0.85 6.14 180.00 -179.12
26 L -152.03* 31.00 -164.21 165.36* 31.00 155.09 60.00* 0.85 55.50 180.00 -179.23
27 S -86.64* 31.00 -85.86 149.54* 31.00 156.67 -60.00* 0.85 -30.53 180.00 179.52
28 G 156.73* 31.00 143.75 -157.39* 31.00 -158.73 NONE 0.00 NONE 180.00 -179.84
29 E -116.41* 21.00 -103.12 136.57* 21.00 133.14 180.00* 0.85 -110.45 180.00 178.26
30 I -74.72* 11.00 -68.98 141.16* 11.00 135.84 -60.00* 0.85 -78.95 180.00 -179.64
31 V -132.56* 21.00 -128.71 158.08* 21.00 159.12 180.00* 0.85 155.99 180.00 179.37
32 N -73.72* 21.00 -83.72 137.10* 21.00 152.05 -60.00* 0.85 -60.73 180.00 179.79
33 I -67.12* 21.00 -52.98 -23.71* 21.00 -48.27 180.00* 0.85 -161.08 180.00 178.67
34 E -73.53* 5.50 -55.47 -14.03* 5.50 -17.11 60.00* 0.85 -59.37 180.00 -178.40
35 D -94.48* 5.50 -90.90 12.92* 5.50 -1.53 -60.00* 0.85 -66.48 180.00 179.72
36 V -82.45* 21.00 -84.08 138.10* 21.00 120.03 180.00* 0.85 178.61 180.00 -178.96
37 P -75.15* 21.00 -61.87 48.81* 21.00 38.42 19.94* 0.85 15.61 180.00 179.48
38 D -151.91* 11.00 -138.65 115.62* 11.00 124.51 180.00* 0.85 -150.44 180.00 179.65
39 V -61.39* 5.50 -50.53 -37.54* 5.50 -50.56 -60.00* 0.85 -145.33 180.00 -178.88
40 V -64.17* 5.50 -56.36 -34.19* 5.50 -42.61 -60.00* 0.85 153.34 180.00 178.08
41 F -80.52* 5.50 -83.40 -47.44* 5.50 -55.59 -60.00* 0.85 -55.91 180.00 -179.16
42 A -58.80* 5.50 -52.45 -35.44* 5.50 -39.04 NONE 0.00 NONE 180.00 -178.73
43 E -91.83* 21.00 -87.40 11.16* 21.00 8.87 -60.00* 0.85 -74.60 180.00 177.13
44 K 49.69* 21.00 56.40 40.58* 21.00 38.45 -60.00* 0.85 -60.35 180.00 -177.57
45 I -65.05* 21.00 -74.06 -34.46* 21.00 -27.03 -60.00* 0.85 -75.43 180.00 178.19
46 V -87.32* 21.00 -95.52 -5.37* 21.00 -28.58 60.00* 0.85 -167.88 180.00 -177.41
47 G 135.64* 21.00 164.62 -176.43* 21.00 -179.19 NONE 0.00 NONE 180.00 -179.40
48 D -120.14* 21.00 -113.94 155.68* 21.00 160.88 180.00* 0.85 -159.40 180.00 178.90
49 G 171.63* 21.00 170.29 -138.24* 21.00 -152.18 NONE 0.00 NONE 180.00 178.86
50 I -135.63* 11.00 -123.35 179.38* 11.00 178.35 60.00* 0.85 58.92 180.00 175.82
51 A -125.88* 11.00 -133.68 160.57* 11.00 151.12 NONE 0.00 NONE 180.00 178.95
52 I -134.91* 11.00 -121.36 132.39* 11.00 139.44 -60.00* 0.85 -76.27 180.00 176.42
53 K -89.33* 11.00 -96.25 108.50* 11.00 111.57 180.00* 0.85 -126.70 180.00 -176.09
54 P -67.78* 21.00 -66.13 149.77* 21.00 151.74 -6.74* 0.85 11.49 180.00 -179.38
55 T -138.20* 31.00 -136.08 2.22* 31.00 1.33 60.00* 0.85 -111.89 180.00 -177.28
56 G -110.32* 31.00 -129.20 -145.00* 31.00 -153.20 NONE 0.00 NONE 180.00 -176.62
57 N -142.88* 21.00 -130.93 17.06* 21.00 9.36 60.00* 0.85 74.68 180.00 176.44
58 K -159.56* 21.00 -139.20 155.74* 21.00 148.21 60.00* 0.85 46.32 180.00 177.01
59 M -117.90* 11.00 -108.59 120.42* 11.00 112.89 -60.00* 0.85 -96.79 180.00 -175.31
60 V -113.90* 11.00 -105.71 174.89* 11.00 166.18 -60.00* 0.85 126.94 180.00 178.40
61 A -68.86* 11.00 -72.95 126.95* 11.00 132.69 NONE 0.00 NONE 180.00 -177.50
62 P -84.41* 5.50 -88.68 -1.32* 5.50 -18.40 24.45* 0.85 23.15 180.00 -179.51
63 V -158.85* 11.00 -132.90 169.20* 11.00 162.48 -60.00* 0.85 -67.16 180.00 176.79
64 D -85.55* 21.00 -84.35 128.74* 21.00 126.15 -60.00* 0.85 -84.88 180.00 179.47
65 G 173.73* 21.00 170.18 -158.45* 21.00 -150.69 NONE 0.00 NONE 180.00 -177.93
66 T -122.14* 21.00 -118.75 133.98* 21.00 118.35 -60.00* 0.85 -42.61 180.00 178.68
67 I -68.07* 31.00 -55.56 137.77* 31.00 130.59 -60.00* 0.85 -84.20 180.00 -179.65
68 G -101.39* 21.00 -96.06 -62.61* 21.00 -70.09 NONE 0.00 NONE 180.00 -178.53
69 K -143.92* 21.00 -124.53 142.31* 21.00 147.12 180.00* 0.85 -121.52 180.00 175.08
70 I -120.96* 21.00 -125.34 127.55* 21.00 117.08 -60.00* 0.85 -44.83 180.00 -179.91
71 F -64.54* 21.00 -57.40 144.91* 21.00 136.38 -60.00* 0.85 -79.11 180.00 -179.62
72 E -63.51* 5.50 -55.98 -12.73* 5.50 -18.24 60.00* 0.85 81.04 180.00 179.57
73 T -99.15* 5.50 -93.33 10.82* 5.50 6.11 60.00* 0.85 22.54 180.00 178.90
74 N 47.53* 11.00 54.79 42.43* 11.00 17.18 -60.00* 0.85 -65.02 180.00 178.98
75 H -124.77* 5.50 -102.15 -1.71* 5.50 2.73 60.00* 0.85 79.11 180.00 -179.33
76 A -152.47* 11.00 -149.58 153.19* 11.00 155.25 NONE 0.00 NONE 180.00 179.36
77 F -154.22* 11.00 -155.86 165.50* 11.00 161.95 60.00* 0.85 67.61 180.00 177.94
78 S -117.99* 11.00 -121.66 140.35* 11.00 166.12 180.00* 0.85 -53.25 180.00 179.55
79 I -142.82* 11.00 -162.78 152.77* 11.00 133.87 180.00* 0.85 176.20 180.00 176.53
80 E -120.99* 11.00 -109.77 129.87* 11.00 117.68 -60.00* 0.85 69.86 180.00 -179.63
81 S -78.49* 21.00 -66.33 165.97* 21.00 160.37 60.00* 0.85 70.53 180.00 177.79
86 E -100.30* 11.00 -108.37 121.12* 11.00 114.10 180.00* 0.85 -91.67 180.00 -179.98
87 L -114.53* 11.00 -121.83 159.66* 11.00 160.55 -60.00* 0.85 51.96 180.00 -177.61
88 F -143.52* 11.00 -132.91 115.39* 11.00 129.61 180.00* 0.85 160.27 180.00 -178.97
89 V -99.72* 11.00 -117.48 119.06* 11.00 125.71 180.00* 0.85 177.02 180.00 -176.02
91 F -73.95* 21.00 -77.65 121.32* 21.00 119.68 180.00* 0.85 -169.02 180.00 178.55
92 G 69.18* 11.00 68.50 -176.48* 11.00 -179.79 NONE 0.00 NONE 180.00 179.67
93 I -118.86* 11.00 -113.92 133.91* 11.00 124.94 -60.00* 0.85 -100.70 180.00 179.67
94 D 55.07* 11.00 69.28 24.28* 11.00 15.82 -60.00* 0.85 -80.50 180.00 -177.81
95 T -64.79* 5.50 -51.56 -17.94* 5.50 -18.52 60.00* 0.85 -9.49 180.00 -179.61
96 V -58.88* 15.50 -59.75 -28.09* 15.50 -18.28 -60.00* 0.85 85.56 180.00 179.82
97 E -64.89* 21.00 -59.95 -15.71* 21.00 -53.97 -60.00* 0.85 -35.34 180.00 -179.16
98 L -81.35* 31.00 -46.33 -1.87* 31.00 -16.82 -60.00* 0.85 -52.46 180.00 -179.26
99 K 46.89* 31.00 53.74 48.34* 31.00 23.62 -60.00* 0.85 -93.65 180.00 178.80
100 G 90.20* 31.00 114.04 -13.44* 31.00 -17.43 NONE 0.00 NONE 180.00 -178.72
101 E -63.20* 31.00 -63.90 123.21* 31.00 125.88 180.00* 0.85 -142.40 180.00 175.09
102 G 98.86* 31.00 104.92 -6.45* 31.00 -14.93 NONE 0.00 NONE 180.00 179.81
103 F -117.62* 31.00 -118.14 154.93* 31.00 132.47 -60.00* 0.85 -52.02 180.00 177.73
104 K -144.30* 31.00 -121.89 115.49* 31.00 122.45 -60.00* 0.85 -110.57 180.00 -179.83
105 R -69.68* 21.00 -91.16 124.91* 21.00 113.00 60.00* 0.85 144.30 180.00 179.75
106 I -105.59* 15.50 -86.97 -36.25* 15.50 -31.17 -60.00* 0.85 -79.09 180.00 -178.70
107 A -95.15* 11.00 -101.73 179.68* 11.00 173.03 NONE 0.00 NONE 180.00 -179.76
108 E -120.49* 11.00 -123.01 152.90* 11.00 142.00 -60.00* 0.85 NONE 180.00 179.29
109 E -64.32* 21.00 -53.84 141.75* 21.00 121.67 -60.00* 0.85 -93.15 180.00 179.42
110 G 88.38* 31.00 108.81 -5.18* 31.00 -29.22 NONE 0.00 NONE 180.00 -179.08
111 Q -66.94* 31.00 -55.59 139.04* 31.00 149.08 180.00* 0.85 -168.73 180.00 179.06
112 R -90.10* 31.00 -100.28 133.20* 31.00 129.19 180.00* 0.85 NONE 180.00 -177.84
113 V -137.88* 11.00 -132.49 162.04* 11.00 174.04 -60.00* 0.85 -72.73 180.00 -179.56
114 K -112.65* 11.00 -132.92 158.89* 11.00 146.97 -60.00* 0.85 NONE 180.00 -179.68
115 V -47.87* 11.00 -34.47 137.93* 11.00 134.85 180.00* 0.85 -167.00 180.00 -179.36
116 G 89.18* 11.00 87.17 -13.46* 11.00 -18.05 NONE 0.00 NONE 180.00 177.49
117 D -64.53* 11.00 -68.76 137.69* 11.00 129.92 -60.00* 0.85 -80.87 180.00 179.56
118 T -77.23* 11.00 -63.04 133.27* 11.00 132.10 -60.00* 0.85 -72.44 180.00 176.96
119 V -107.80* 5.50 -113.35 -47.02* 5.50 -48.20 180.00* 0.85 -169.47 180.00 -178.78
120 I -148.66* 21.00 -143.01 143.76* 21.00 144.14 -60.00* 0.85 -60.48 180.00 177.85
121 E -112.00* 21.00 -111.61 146.64* 21.00 137.91 -60.00* 0.85 -108.33 180.00 -177.95
122 F -132.12* 11.00 -137.39 165.38* 11.00 152.22 60.00* 0.85 70.58 180.00 -179.24
123 D -105.12* 11.00 -90.27 94.35* 11.00 98.35 180.00* 0.85 -170.52 180.00 -178.08
124 L -55.81* 5.50 -58.45 -56.09* 5.50 -36.29 180.00* 0.85 -166.07 180.00 -177.91
125 P -55.08* 5.50 -79.68 -43.97* 5.50 -27.89 -20.11* 0.85 -9.09 180.00 177.02
126 L -61.18* 5.50 -70.11 -47.62* 5.50 -58.44 180.00* 0.85 -176.04 180.00 179.70
127 L -69.95* 5.50 -56.07 -29.77* 5.50 -31.55 -60.00* 0.85 -73.92 180.00 179.65
128 E -67.08* 5.50 -72.03 -35.99* 5.50 -31.30 -60.00* 0.85 179.75 180.00 179.63
129 E -77.34* 5.50 -90.16 -42.45* 5.50 -11.90 180.00* 0.85 NONE 180.00 179.81
130 K -95.94* 5.50 -124.82 -29.23* 5.50 13.42 -60.00* 0.85 32.59 180.00 -178.80
131 A -77.24* 11.00 -119.54 143.94* 11.00 140.94 NONE 0.00 NONE 180.00 -178.68
132 K -58.19* 5.50 -48.91 -35.13* 5.50 -40.65 180.00* 0.85 -65.69 180.00 178.49
133 S -165.29* 21.00 -159.17 146.95* 21.00 152.11 180.00* 0.85 -156.48 180.00 178.02
134 T -99.81* 21.00 -103.87 3.09* 21.00 2.78 60.00* 0.85 51.73 180.00 -179.85
135 L -58.51* 21.00 -55.80 127.28* 21.00 119.47 -60.00* 0.85 -76.78 180.00 -178.98
136 T -118.06* 21.00 -104.05 103.26* 21.00 98.50 -60.00* 0.85 -63.47 180.00 178.65
137 P -66.18* 21.00 -63.53 144.24* 21.00 134.26 -12.65* 0.85 -14.81 180.00 176.16
138 V -130.28* 21.00 -119.70 107.30* 21.00 104.35 -60.00* 0.85 -175.77 180.00 -176.59
139 V -125.22* 11.00 -124.55 162.35* 11.00 151.11 -60.00* 0.85 -43.28 180.00 -177.48
140 I -100.28* 21.00 -96.75 125.56* 21.00 112.98 -60.00* 0.85 -84.16 180.00 -175.41
141 S -98.41* 31.00 -76.52 -6.35* 31.00 -25.29 -60.00* 0.85 -78.93 180.00 -176.61
142 N -91.85* 31.00 -111.44 15.30* 31.00 51.24 180.00* 0.85 66.55 180.00 -179.45
146 I -118.51* 21.00 -98.48 140.69* 21.00 112.90 60.00* 0.85 -89.39 180.00 177.92
147 K -76.44* 31.00 -81.91 -51.88* 31.00 -42.12 180.00* 0.85 -56.72 180.00 178.44
148 E -148.05* 31.00 -137.81 148.36* 31.00 132.52 180.00* 0.85 -76.39 180.00 176.79
149 L -118.45* 31.00 -125.62 113.69* 31.00 121.28 180.00* 0.85 -172.70 180.00 -179.63
150 I -110.12* 31.00 -114.49 112.17* 31.00 129.09 -60.00* 0.85 -49.14 180.00 -178.43
151 K -86.51* 31.00 -107.59 131.50* 31.00 124.56 -60.00* 0.85 -45.38 180.00 -179.96
152 L -96.45* 31.00 -87.77 177.76* 31.00 -178.50 -60.00* 0.85 -34.39 180.00 -179.56
153 S -131.14* 31.00 -143.23 161.35* 31.00 -177.05 -60.00* 0.85 60.67 180.00 179.01
154 G 100.28* 31.00 88.90 -159.36* 31.00 -157.86 NONE 0.00 NONE 180.00 -178.97
155 S -95.04* 31.00 -91.50 141.26* 31.00 134.70 -60.00* 0.85 -95.74 180.00 -179.10
156 V -129.87* 21.00 -123.35 159.25* 21.00 151.62 -60.00* 0.85 -52.79 180.00 177.82
157 T -121.92* 21.00 -123.90 125.66* 21.00 134.57 -60.00* 0.85 88.81 180.00 -179.47
158 V -41.70* 31.00 -35.82 129.62* 31.00 135.02 60.00* 0.85 -119.87 180.00 177.09
159 G 58.47* 31.00 52.64 25.42* 31.00 6.64 NONE 0.00 NONE 180.00 179.89
160 E -136.26* 31.00 -118.01 -55.08* 31.00 -65.90 180.00* 0.85 -102.49 180.00 -178.03
161 T -82.98* 31.00 -63.21 124.73* 31.00 128.37 -60.00* 0.85 -27.79 180.00 178.16
163 V -118.71* 15.50 -106.84 -25.35* 15.50 -27.33 -60.00* 0.85 -73.96 180.00 -178.43
164 I -141.78* 11.00 -147.08 154.30* 11.00 154.47 -60.00* 0.85 -69.40 180.00 177.54
165 R -129.01* 11.00 -131.35 130.58* 11.00 131.76 -60.00* 0.85 -98.85 180.00 -179.15
166 I -128.08* 11.00 -124.32 157.39* 11.00 149.97 60.00* 0.85 75.88 180.00 176.67
167 K -122.29* 11.00 -110.77 154.81* 11.00 116.53 180.00* 0.85 176.56 180.00 -179.72
168 K 360.00* 21.00 -87.68 360.00* 21.00 NONE 180.00* 0.85 -72.36 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .