Comparison of PREDITOR
predictions with PDB-derived angles for Profilin I (A.castellani) .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 1ACF.
PDB Homologue: 2ACG; BLAST E value= 2e-31; %Seq Identity= 72.00
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
3 Q -71.47* 9.00 -56.84 -27.39* 10.00 -49.68 180.00* 0.75 -156.83 180.00 173.63
4 T -81.26* 9.00 -54.90 -29.89* 10.00 -44.77 60.00* 0.75 -48.32 180.00 -177.39
5 Y -64.55* 9.00 -50.85 -28.81* 10.00 -53.12 -60.00* 0.75 -69.83 180.00 177.43
6 V -81.44* 9.00 -61.45 -54.01* 10.00 -58.42 180.00* 0.75 149.73 180.00 -175.15
7 D -67.02* 9.00 -67.56 -43.80* 10.00 -57.12 -60.00* 0.75 -64.74 180.00 179.82
8 T -99.93* 9.00 -82.85 -53.32* 10.00 -46.32 -60.00* 0.75 -47.03 180.00 -173.20
9 N -71.85* 9.00 -85.33 -22.55* 10.00 -18.49 -60.00* 0.75 -64.36 180.00 178.39
10 L -111.10* 9.00 -110.22 -78.25* 10.00 -71.18 -60.00* 0.75 -83.63 180.00 -177.65
11 V -61.64* 9.00 -63.39 -32.11* 10.00 -51.08 180.00* 0.75 164.63 180.00 178.45
12 G -62.71* 28.00 -49.39 -31.35* 30.00 -20.23 NONE 0.00 NONE 180.00 -176.47
13 T -64.98* 38.00 -87.02 -36.79* 40.00 -20.49 60.00* 0.75 79.85 180.00 -178.21
14 G 102.89* 48.00 76.24 -16.15* 50.00 12.71 NONE 0.00 NONE 180.00 -178.97
15 A -71.22* 38.00 -96.25 -6.85* 40.00 -9.48 NONE 0.00 NONE 180.00 -178.63
16 V -149.25* 28.00 -140.39 138.85* 30.00 141.38 -60.00* 0.75 141.64 180.00 -178.82
17 T -81.74* 28.00 -89.31 -47.13* 30.00 -46.62 60.00* 0.75 -74.68 180.00 -178.98
18 Q -128.45* 18.00 -135.05 153.36* 20.00 137.93 -60.00* 0.75 -57.32 180.00 -179.90
19 A -160.61* 28.00 -142.65 166.63* 30.00 148.21 NONE 0.00 NONE 180.00 176.85
20 A -164.71* 18.00 -138.91 166.48* 20.00 159.89 NONE 0.00 NONE 180.00 176.51
21 I -134.31* 18.00 -127.38 109.39* 20.00 116.86 -60.00* 0.75 -76.43 180.00 178.88
22 L -98.53* 18.00 -108.90 160.36* 20.00 166.73 -60.00* 0.75 -72.16 180.00 174.10
23 G -92.54* 28.00 -93.67 164.58* 30.00 157.18 NONE 0.00 NONE 180.00 179.69
24 L -62.28* 38.00 -68.70 -13.74* 40.00 -9.86 -60.00* 0.75 -68.98 180.00 174.16
25 D -86.24* 38.00 -88.35 -25.90* 40.00 -1.60 60.00* 0.75 53.72 180.00 -178.07
26 G 118.65* 38.00 85.76 -19.11* 40.00 3.33 NONE 0.00 NONE 180.00 178.12
27 N -73.64* 38.00 -84.75 124.67* 40.00 140.73 -60.00* 0.75 -69.16 180.00 -177.42
28 T -63.12* 28.00 -75.30 129.86* 30.00 141.87 -60.00* 0.75 -62.23 180.00 179.24
29 W -91.29* 9.00 -100.15 -46.61* 10.00 -38.90 -60.00* 0.75 -74.89 180.00 179.22
30 A -147.89* 18.00 -161.59 161.30* 20.00 147.50 NONE 0.00 NONE 180.00 -179.51
31 T -160.20* 28.00 -140.91 165.59* 30.00 152.81 180.00* 0.75 -157.20 180.00 176.40
32 S -96.47* 28.00 -73.24 157.74* 30.00 139.02 60.00* 0.75 52.05 180.00 -176.51
33 A -31.93* 38.00 -42.43 -64.80* 40.00 126.90 NONE 0.00 NONE 180.00 -177.68
34 G -98.08* 28.00 79.85 37.49* 30.00 -10.55 NONE 0.00 NONE 180.00 176.15
35 F -142.23* 28.00 -91.08 138.79* 30.00 125.10 180.00* 0.75 178.21 180.00 -179.84
36 A -155.30* 28.00 -130.18 140.86* 30.00 107.91 NONE 0.00 NONE 180.00 176.23
37 V -123.72* 18.00 -93.96 133.29* 20.00 117.03 60.00* 0.75 168.63 180.00 -177.77
39 P -51.50* 9.00 -52.58 -46.55* 10.00 -57.39 -37.52* 0.75 -30.00 180.00 177.83
40 A -57.33* 9.00 -48.52 -46.69* 10.00 -50.43 NONE 0.00 NONE 180.00 179.63
41 Q -64.05* 9.00 -64.30 -35.08* 10.00 -40.67 -60.00* 0.75 -81.67 180.00 179.30
42 G -79.47* 9.00 -62.66 -38.11* 10.00 -48.06 NONE 0.00 NONE 180.00 179.77
43 Q -72.95* 9.00 -66.19 -20.30* 10.00 -32.26 180.00* 0.75 84.13 180.00 176.85
44 T -78.34* 9.00 -66.02 -28.54* 10.00 -42.62 180.00* 0.75 -65.27 180.00 -177.36
45 L -80.38* 9.00 -59.50 -46.56* 10.00 -58.13 180.00* 0.75 -167.83 180.00 -178.63
46 A -55.89* 9.00 -47.82 -18.33* 10.00 -55.60 NONE 0.00 NONE 180.00 -179.71
47 S -101.55* 9.00 -48.00 -33.78* 10.00 -44.35 180.00* 0.75 NONE 180.00 -178.52
48 A -56.45* 9.00 -67.54 -12.14* 10.00 -25.02 NONE 0.00 NONE 180.00 179.19
49 F -80.07* 9.00 -63.91 -23.06* 10.00 -33.65 -60.00* 0.75 -82.87 180.00 176.02
50 N -87.24* 38.00 -76.59 -25.52* 40.00 -62.20 -60.00* 0.75 -59.74 180.00 179.14
51 N 178.01* 38.00 -127.90 114.31* 40.00 112.42 60.00* 0.75 177.33 180.00 179.91
55 I -73.50* 9.00 -48.53 -31.54* 10.00 -40.51 60.00* 0.75 -91.19 180.00 -178.87
56 R -57.54* 9.00 -61.53 -34.45* 10.00 -40.62 180.00* 0.75 -158.93 180.00 -179.08
57 A -98.12* 19.00 -90.00 -41.57* 20.00 -34.38 NONE 0.00 NONE 180.00 -176.57
58 S -93.33* 28.00 -101.34 -36.41* 30.00 -8.39 -60.00* 0.75 NONE 180.00 -176.39
59 G 106.90* 38.00 76.58 -164.77* 40.00 -173.70 NONE 0.00 NONE 180.00 179.74
60 F -148.50* 28.00 -145.72 154.58* 30.00 162.53 60.00* 0.75 49.48 180.00 178.60
61 D -111.91* 28.00 -107.48 147.93* 30.00 126.74 -60.00* 0.75 -69.66 180.00 172.99
62 L -148.77* 38.00 -132.47 120.99* 40.00 118.04 -60.00* 0.75 -86.74 180.00 177.68
65 V 47.43* 38.00 -106.48 44.40* 40.00 130.28 180.00* 0.75 -173.42 180.00 175.71
66 H -93.84* 38.00 -97.40 115.80* 40.00 117.21 180.00* 0.75 -175.35 180.00 177.82
67 Y -102.99* 38.00 -103.00 159.25* 40.00 154.78 -60.00* 0.75 -62.79 180.00 176.20
68 V -109.20* 28.00 -103.36 130.65* 30.00 143.42 180.00* 0.75 -55.57 180.00 -179.30
69 T -65.23* 28.00 -74.57 117.95* 30.00 116.80 -60.00* 0.75 -46.09 180.00 178.17
70 L -99.88* 38.00 -86.56 -61.78* 40.00 -45.88 -60.00* 0.75 -96.24 180.00 -178.75
71 R -118.43* 38.00 -142.55 152.93* 40.00 133.49 180.00* 0.75 150.72 180.00 178.76
72 A -175.68* 38.00 -147.66 88.36* 40.00 117.96 NONE 0.00 NONE 180.00 179.64
73 D -108.04* 38.00 -141.47 -151.41* 40.00 -164.27 60.00* 0.75 60.63 180.00 -177.32
74 D -104.31* 38.00 -80.72 16.01* 40.00 -18.65 60.00* 0.75 -53.96 180.00 178.79
75 R -145.49* 38.00 -114.65 -28.06* 40.00 -35.46 180.00* 0.75 178.81 180.00 -174.35
76 S -136.50* 28.00 -132.35 126.65* 30.00 127.77 -60.00* 0.75 -71.94 180.00 173.01
77 I -124.61* 28.00 -120.17 120.34* 30.00 118.95 180.00* 0.75 -71.37 180.00 179.06
78 Y -116.94* 18.00 -110.23 146.76* 20.00 135.07 -60.00* 0.75 -68.07 180.00 179.21
79 G -142.90* 18.00 -118.66 165.29* 20.00 147.21 NONE 0.00 NONE 180.00 -179.41
80 K -149.16* 18.00 -139.75 155.99* 20.00 135.16 60.00* 0.75 -170.16 180.00 177.21
84 A -132.94* 18.00 -108.78 167.93* 20.00 168.48 NONE 0.00 -74.48 180.00 179.30
85 G 176.94* 18.00 -178.39 -168.59* 20.00 -176.54 NONE 0.00 NONE 180.00 -179.17
86 V -136.62* 18.00 -147.97 144.41* 20.00 141.58 60.00* 0.75 62.03 180.00 179.97
87 I -109.08* 18.00 -117.66 123.87* 20.00 116.88 -60.00* 0.75 -61.75 180.00 177.33
88 T -125.12* 18.00 -116.02 128.58* 20.00 132.70 60.00* 0.75 62.07 180.00 179.63
89 V -130.12* 18.00 -130.39 123.23* 20.00 117.56 180.00* 0.75 -177.95 180.00 178.39
90 K -81.08* 18.00 -85.14 132.28* 20.00 129.60 180.00* 0.75 166.64 180.00 176.70
91 T -111.79* 18.00 -97.96 -171.77* 20.00 -162.24 60.00* 0.75 63.99 180.00 177.36
92 S -73.25* 9.00 -67.97 -30.46* 10.00 -44.21 60.00* 0.75 92.16 180.00 -178.33
93 K -121.80* 9.00 -122.04 -13.67* 10.00 -0.98 -60.00* 0.75 -67.59 180.00 -173.08
94 S -128.26* 28.00 -147.28 -165.28* 30.00 170.57 180.00* 0.75 NONE 180.00 177.13
95 I -154.27* 28.00 -128.40 112.76* 30.00 128.14 -60.00* 0.75 -50.58 180.00 177.97
96 L -85.08* 38.00 -94.64 147.53* 40.00 132.51 -60.00* 0.75 -53.22 180.00 176.04
97 V -148.39* 38.00 -124.65 123.95* 40.00 118.69 -60.00* 0.75 -172.14 180.00 178.80
98 G -139.63* 38.00 -123.19 130.70* 40.00 100.30 NONE 0.00 NONE 180.00 179.15
99 V -103.77* 28.00 -83.91 154.22* 30.00 137.30 -60.00* 0.75 169.07 180.00 177.59
100 Y -137.60* 18.00 -127.43 156.15* 20.00 159.28 60.00* 0.75 60.08 180.00 178.37
108 T -67.69* 9.00 -71.08 -47.77* 10.00 -41.56 -60.00* 0.75 -54.40 180.00 178.10
109 A -58.76* 9.00 -59.95 -61.10* 10.00 -43.47 NONE 0.00 NONE 180.00 -178.26
110 A -47.97* 9.00 -64.13 -36.15* 10.00 -49.94 NONE 0.00 NONE 180.00 -179.97
111 N -69.99* 9.00 -61.55 -45.15* 10.00 -40.03 180.00* 0.75 -163.25 180.00 178.53
112 V -63.39* 9.00 -68.72 -49.84* 10.00 -45.29 180.00* 0.75 165.14 180.00 -178.39
113 V -59.93* 9.00 -66.47 -57.65* 10.00 -47.31 180.00* 0.75 -171.61 180.00 176.36
114 E -42.99* 9.00 -56.49 -51.71* 10.00 -42.55 -60.00* 0.75 -70.68 180.00 176.39
115 K -63.77* 9.00 -72.05 -45.63* 10.00 -35.91 -60.00* 0.75 -93.81 180.00 179.38
116 L -60.47* 9.00 -70.03 -34.84* 10.00 -30.87 180.00* 0.75 -138.46 180.00 179.21
117 A -61.02* 9.00 -65.42 -44.48* 10.00 -51.70 NONE 0.00 NONE 180.00 176.96
118 D -54.60* 9.00 -52.01 -53.53* 10.00 -47.06 -60.00* 0.75 -77.58 180.00 179.74
119 Y -50.01* 9.00 -66.59 -55.03* 10.00 -37.21 180.00* 0.75 166.28 180.00 -178.06
120 L -62.25* 9.00 -71.97 -39.49* 10.00 -37.81 -60.00* 0.75 -68.85 180.00 175.54
121 I -61.27* 9.00 -58.07 -39.29* 10.00 -56.21 -60.00* 0.75 -84.02 180.00 174.34
122 G -61.21* 28.00 -47.96 -25.55* 30.00 -21.10 NONE 0.00 NONE 180.00 179.57
123 Q -92.30* 38.00 -94.09 -16.71* 40.00 -11.83 -60.00* 0.75 -53.23 180.00 -176.52
124 G 104.42* 48.00 105.67 21.76* 50.00 11.13 NONE 0.00 NONE 180.00 -177.87
125 F -126.06* 48.00 -106.76 NONE 50.00 NONE -60.00* 0.75 -58.31 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .