Comparison of PREDITOR
predictions with PDB-derived angles for Histidine-containing Phosphotransfer Domain of Arcb .
Chemical shifts were obtained from 4857,
Reference structure is 2A0B.
PDB Homologue: 1H6Z; BLAST E value= 4.6; %Seq Identity= 4.92
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 T -65.59* 20.50 NONE -22.99* 30.00 NONE NONE 0.00 NONE 180.00 NONE
2 T -64.03* 20.50 NONE -21.41* 30.00 NONE NONE 0.00 NONE 180.00 NONE
3 E -74.20 40.00 NONE 125.99 42.00 NONE 180.00 0.60 NONE 180.00 NONE
4 E -84.19 40.00 NONE 135.75 42.00 NONE -60.00 0.63 NONE 180.00 NONE
5 N -66.47 40.00 NONE -34.69 42.00 NONE -60.00 0.81 NONE 180.00 NONE
6 S -88.56 40.00 NONE -21.38 42.00 -13.09 60.00 0.73 NONE 180.00 -178.80
7 K -67.02 40.00 -68.47 -32.52 42.00 -37.07 -60.00 0.67 85.79 180.00 178.98
8 S -64.06 30.00 -60.95 -40.45 32.00 -47.66 -60.00 0.43 -69.04 180.00 -178.43
9 E -65.14 30.00 -60.14 -36.52 32.00 -38.69 -60.00 0.59 -55.49 180.00 -177.88
10 A -75.39 30.00 -75.32 -18.98 32.00 -37.79 NONE 0.00 NONE 180.00 -170.51
11 L -72.17 20.00 -96.75 -29.87 21.00 -23.37 -60.00 0.80 -60.89 180.00 -173.95
12 L -102.73 20.00 -115.89 146.68 22.00 162.13 -60.00 0.95 -56.69 180.00 171.97
13 D -90.21 20.00 -94.30 96.96 22.00 85.91 180.00 0.93 -174.97 180.00 -173.11
14 I -57.32 10.00 -61.64 -39.14 11.00 -43.99 -60.00 0.93 -53.00 180.00 177.54
15 P -63.57 10.00 -58.53 -32.69 11.00 -46.26 -26.20 0.59 -34.55 180.00 -178.18
16 M -67.25 10.00 -64.47 -43.40 11.00 -46.37 -60.00 0.70 170.93 180.00 -178.29
17 L -63.02 10.00 -63.87 -40.78 11.00 -37.96 -60.00 0.60 -72.13 180.00 -177.34
18 E -62.05 10.00 -69.60 -44.82 11.00 -39.57 -60.00 0.54 -78.33 180.00 179.48
19 Q -65.33 10.00 -66.33 -40.75 11.00 -43.47 -60.00 0.59 178.55 180.00 177.73
20 Y -65.79 10.00 -56.40 -38.39 11.00 -39.37 180.00 0.56 -91.59 180.00 179.31
21 L -65.65 10.00 -63.32 -42.28 11.00 -41.67 -60.00 0.63 -86.79 180.00 179.81
22 E -64.43 10.00 -69.56 -42.22 11.00 -38.97 -60.00 0.54 -69.83 180.00 -175.17
23 L -65.13 30.00 -84.71 -33.48 32.00 -38.47 -60.00 0.80 -67.69 180.00 -174.30
24 V -107.25 40.00 -117.35 -8.34 42.00 -27.23 -60.00 0.95 -42.04 180.00 -176.55
25 G -92.45* 61.00 92.97 -18.95* 80.00 171.28 NONE 0.00 NONE 180.00 -177.44
26 P -60.51 40.00 -72.50 -32.48 42.00 -25.67 -26.20 0.59 32.31 180.00 -176.44
27 K -64.29 20.00 -61.59 -41.23 21.00 -40.63 180.00 0.50 -162.65 180.00 -178.51
28 L -62.66 10.00 -67.85 -41.39 11.00 -35.81 -60.00 0.60 -165.59 180.00 178.01
29 I -65.31 10.00 -64.46 -43.34 11.00 -49.87 -60.00 0.94 -63.59 180.00 -179.31
30 T -63.21 10.00 -67.65 -41.33 11.00 -35.87 -60.00 0.88 52.44 180.00 174.47
31 D -65.97 10.00 -64.98 -38.39 11.00 -40.56 -60.00 0.80 -69.47 180.00 -179.49
32 G -64.88 10.00 -63.80 -34.88 11.00 -44.84 NONE 0.00 NONE 180.00 179.91
33 L -63.25 10.00 -61.86 -42.22 11.00 -37.49 -60.00 0.60 -168.52 180.00 178.09
34 A -64.42 10.00 -63.19 -41.08 11.00 -37.09 NONE 0.00 NONE 180.00 176.59
35 V -66.22 10.00 -69.69 -45.92 11.00 -40.02 180.00 0.99 172.41 180.00 178.78
36 F -62.76 10.00 -60.54 -44.86 11.00 -47.31 180.00 0.65 -178.64 180.00 -179.67
37 E -58.49 10.00 -60.38 -42.74 11.00 -33.35 -60.00 0.54 -70.94 180.00 179.20
38 K -63.45 10.00 -75.41 -35.06 11.00 -24.44 180.00 0.50 96.64 180.00 -176.05
39 M -73.38 20.00 -92.47 -36.96 21.00 -24.70 -60.00 0.70 -57.23 180.00 -173.57
40 M -62.20 20.00 -61.31 -37.82 21.00 -38.52 -60.00 0.66 -93.54 180.00 177.50
41 P -66.64 20.00 -53.64 -38.13 21.00 -45.41 21.00 0.53 -24.13 180.00 178.41
42 G -53.76* 41.00 -69.20 144.52* 60.00 -36.56 NONE 0.00 NONE 180.00 179.01
43 Y -107.58 10.00 -65.57 -39.85 11.00 -40.90 -60.00 0.86 -65.17 180.00 -177.11
44 V -62.96 10.00 -73.65 -44.91 11.00 -36.40 180.00 0.92 166.58 180.00 175.61
45 S -61.61 10.00 -60.52 -41.97 11.00 -38.37 -60.00 0.43 -56.77 180.00 177.18
46 V -68.23 10.00 -67.68 -40.93 11.00 -41.01 180.00 0.92 169.25 180.00 175.25
47 L -60.31 10.00 -55.07 -42.13 11.00 -49.74 -60.00 0.60 -87.27 180.00 -177.28
48 E -59.19 10.00 -63.88 -45.63 11.00 -41.92 180.00 0.51 -59.89 180.00 -177.32
49 S -66.36 10.00 -68.03 -39.79 11.00 -35.35 -60.00 0.42 73.27 180.00 176.46
50 N -63.95 10.00 -68.00 -44.05 11.00 -35.20 -60.00 0.72 -81.95 180.00 179.33
51 L -65.30 10.00 -63.87 -37.63 11.00 -45.15 -60.00 0.63 -178.89 180.00 179.97
52 T -62.75 10.00 -62.04 -37.00 11.00 -42.87 -60.00 0.88 -65.06 180.00 177.46
53 A -93.37 30.00 -74.67 7.78 32.00 -4.33 NONE 0.00 NONE 180.00 -176.28
54 Q 55.09 30.00 54.28 26.06 32.00 40.94 -60.00 0.97 -67.42 180.00 -179.42
55 D -88.40 30.00 -94.95 82.70 32.00 94.22 180.00 0.84 173.79 180.00 -176.42
56 K -57.57 10.00 -60.28 -41.76 11.00 -41.68 180.00 0.50 174.86 180.00 178.81
57 K -64.84 10.00 -64.35 -38.94 11.00 -40.13 180.00 0.50 159.78 180.00 -179.94
58 G -64.97 10.00 -63.32 -39.58 11.00 -45.07 NONE 0.00 NONE 180.00 177.16
59 I -63.21 10.00 -63.93 -47.01 11.00 -43.92 -60.00 0.99 -61.90 180.00 -178.10
60 V -60.39 10.00 -68.04 -45.84 11.00 -39.78 180.00 0.98 167.99 180.00 -178.11
61 E -64.21 10.00 -64.94 -39.03 11.00 -40.07 -60.00 0.54 -99.26 180.00 179.66
62 E -64.17 10.00 -73.49 -42.69 11.00 -37.98 -60.00 0.54 -158.76 180.00 174.56
63 G -65.36 10.00 -54.52 -42.04 11.00 -46.80 NONE 0.00 NONE 180.00 -179.53
64 H -61.77 10.00 -62.85 -40.05 11.00 -40.03 180.00 0.54 -177.62 180.00 178.86
65 K -63.37 10.00 -62.12 -42.63 11.00 -45.70 180.00 0.50 -164.30 180.00 178.23
66 I -61.80 10.00 -66.82 -42.64 11.00 -38.08 -60.00 0.93 -69.27 180.00 179.23
67 K -61.03 10.00 -53.18 -38.13 11.00 -50.47 180.00 0.50 177.79 180.00 -178.08
68 G -64.33 10.00 -65.69 -35.80 11.00 -46.52 NONE 0.00 NONE 180.00 -179.40
69 A -64.35 10.00 -55.63 -38.62 11.00 -54.14 NONE 0.00 NONE 180.00 178.13
70 A -61.61 20.00 -63.29 -38.57 21.00 -35.69 NONE 0.00 NONE 180.00 -179.78
71 G -64.75 10.00 -67.87 -33.99 11.00 -28.21 NONE 0.00 NONE 180.00 -177.60
72 S -70.39 10.00 -67.06 -31.34 11.00 -30.00 60.00 0.59 87.19 180.00 179.77
73 V -88.30 10.00 -109.33 6.06 11.00 12.99 -60.00 0.99 -65.60 180.00 171.95
74 G 53.44 20.00 83.18 15.82 22.00 19.93 NONE 0.00 NONE 180.00 178.38
75 L -78.33 20.00 -88.91 74.03 22.00 82.34 -60.00 0.91 -67.62 180.00 -172.84
76 R -60.63 10.00 -62.27 -35.18 11.00 -39.48 -60.00 0.50 -178.30 180.00 -178.56
77 H -61.72 10.00 -74.72 -38.75 11.00 -33.83 180.00 0.54 173.30 180.00 174.92
78 L -67.23 10.00 -65.93 -42.07 11.00 -36.92 -60.00 0.63 -58.53 180.00 176.62
79 Q -64.63 10.00 -64.04 -42.95 11.00 -38.22 -60.00 0.54 -171.99 180.00 178.80
80 Q -61.71 10.00 -70.14 -41.73 11.00 -36.90 -60.00 0.54 -176.84 180.00 173.32
81 L -63.28 10.00 -62.23 -41.92 11.00 -38.50 -60.00 0.60 -78.67 180.00 -179.46
82 G -66.58 10.00 -72.07 -40.24 11.00 -32.02 NONE 0.00 NONE 180.00 175.48
83 Q -66.31 10.00 -61.91 -42.76 11.00 -45.54 -60.00 0.59 168.84 180.00 178.44
84 Q -64.59 10.00 -64.10 -44.63 11.00 -43.58 -60.00 0.54 -68.97 180.00 178.47
85 I -61.54 10.00 -57.32 -31.20 11.00 -37.54 -60.00 0.62 -66.41 180.00 179.09
86 Q -84.51 10.00 -89.86 2.18 11.00 19.61 -60.00 0.83 71.07 180.00 -176.02
87 S -97.55 20.00 -120.79 153.68 22.00 74.09 -60.00 0.38 -64.77 180.00 -177.42
88 P -66.50 20.00 -70.15 -9.59 21.00 -5.75 26.60 0.73 24.21 180.00 172.87
89 D -70.46 30.00 -71.72 -13.29 32.00 -17.56 -60.00 0.65 52.60 180.00 -176.32
90 L -76.06 40.00 -73.98 135.39 42.00 135.11 -60.00 0.80 -72.80 180.00 177.98
91 P -67.21 30.00 -53.97 -22.94 32.00 -37.04 25.00 0.69 -22.22 180.00 -178.76
92 A -71.05 20.00 -83.49 -7.64 21.00 -1.90 NONE 0.00 NONE 180.00 -174.63
93 W -63.32 10.00 -53.83 -44.37 11.00 -49.72 180.00 0.57 -169.86 180.00 -179.12
94 E -63.05 10.00 -65.23 -38.80 11.00 -35.19 -60.00 0.54 -78.91 180.00 -178.43
95 D -77.07 10.00 -71.97 -21.14 11.00 -33.60 -60.00 0.78 -78.29 180.00 -166.50
96 N -105.29 10.00 -114.93 -50.70 11.00 -5.15 -60.00 0.70 -77.99 180.00 -176.84
97 V -62.24 20.00 -62.97 -35.85 21.00 -35.94 180.00 0.92 73.99 180.00 178.04
98 G -65.47* 30.50 -67.25 -47.69* 40.00 -34.43 NONE 0.00 NONE 180.00 178.50
99 E -66.82 10.00 -66.45 -39.97 11.00 -43.58 -60.00 0.59 -170.81 180.00 -179.90
100 W -68.30 10.00 -68.37 -34.13 11.00 -33.90 -60.00 0.61 -69.48 180.00 176.05
101 I -65.38 10.00 -60.35 -45.21 11.00 -54.13 -60.00 0.99 -65.25 180.00 178.88
102 E -61.81 10.00 -60.30 -38.46 11.00 -39.05 -60.00 0.54 -176.45 180.00 176.52
103 E -62.19 10.00 -56.72 -40.57 11.00 -48.89 -60.00 0.54 -176.95 180.00 175.81
104 M -61.20 10.00 -59.13 -43.20 11.00 -46.80 -60.00 0.66 175.74 180.00 -177.10
105 K -63.18 10.00 -58.16 -40.44 11.00 -46.43 180.00 0.50 172.08 180.00 -175.13
106 E -70.89 10.00 -72.36 -27.30 11.00 -29.82 -60.00 0.67 -69.55 180.00 -171.24
107 E -104.14 10.00 -108.89 -16.55 11.00 -9.58 -60.00 0.90 73.30 180.00 -168.26
108 W -60.41 10.00 -66.17 -40.53 11.00 -32.30 180.00 0.57 71.08 180.00 178.77
109 R -64.82 10.00 -63.02 -43.22 11.00 -39.67 -60.00 0.50 -57.86 180.00 176.77
110 H -64.94 10.00 -59.38 -41.12 11.00 -43.02 180.00 0.54 167.81 180.00 177.72
111 D -64.75 10.00 -63.58 -40.58 11.00 -37.11 -60.00 0.79 -79.81 180.00 177.79
112 V -63.03 10.00 -66.71 -42.71 11.00 -39.07 180.00 0.92 161.66 180.00 177.79
113 E -62.02 10.00 -63.58 -38.64 11.00 -34.97 -60.00 0.54 -68.14 180.00 174.79
114 V -67.24 10.00 -62.63 -39.70 11.00 -42.30 180.00 0.92 173.15 180.00 178.90
115 L -63.84 10.00 -70.35 -39.78 11.00 -39.59 -60.00 0.60 171.22 180.00 179.24
116 K -62.09 10.00 -58.02 -42.89 11.00 -44.87 180.00 0.50 -76.69 180.00 -179.15
117 A -62.76 10.00 -64.37 -38.89 11.00 -37.96 NONE 0.00 NONE 180.00 -178.86
118 W -65.49 10.00 -66.78 -44.53 11.00 -40.46 180.00 0.53 -174.46 180.00 -176.85
119 V -59.98 10.00 -70.03 -43.13 11.00 -37.66 180.00 0.92 174.98 180.00 176.94
120 A -60.53 10.00 -59.54 -44.91 11.00 -42.34 NONE 0.00 NONE 180.00 -179.62
121 K -62.71 30.00 -75.18 -40.50 32.00 -35.99 180.00 0.50 177.87 180.00 -178.98
122 A -68.08 40.00 -70.42 -31.92 42.00 -32.17 NONE 0.00 NONE 180.00 -177.30
123 T -83.32 50.00 -91.73 -4.97 52.00 NONE 60.00 0.97 61.23 180.00 NONE
124 K -71.12 60.00 NONE 134.70 62.00 NONE 180.00 0.62 NONE 180.00 NONE
125 K NONE 60.00 NONE NONE 62.00 NONE NONE 0.00 NONE 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .