Comparison of PREDITOR
predictions with PDB-derived angles for IIb Cellobiose (E. coli) .
Chemical shifts were obtained from 4955,
Reference structure is 1IIBB.
PDB Homologue: 1H9C; BLAST E value= 1e-42; %Seq Identity= 99.06
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 M NONE 31.00 NONE 127.94* 31.00 NONE 180.00* 0.85 NONE 180.00 NONE
2 E -63.60* 31.00 NONE 108.56* 31.00 NONE 180.00* 0.85 NONE 180.00 NONE
3 K -131.16* 31.00 NONE 137.34* 31.00 141.25 -60.00* 0.85 -70.80 180.00 179.70
4 K -102.25* 31.00 -83.36 147.80* 31.00 147.15 -60.00* 0.85 -66.57 180.00 -178.82
5 H -105.26* 21.00 -102.92 115.78* 21.00 123.61 -60.00* 0.85 -64.37 180.00 179.45
6 I -116.92* 11.00 -114.71 102.45* 11.00 112.52 -60.00* 0.85 -60.99 180.00 -179.05
7 Y -108.62* 11.00 -110.78 127.42* 11.00 128.52 -60.00* 0.85 -68.27 180.00 178.33
8 L -104.51* 11.00 -105.57 135.59* 11.00 138.44 -60.00* 0.85 -74.91 180.00 -179.78
9 F -130.19* 11.00 -128.14 NONE 11.00 134.60 -60.00* 0.85 -61.51 180.00 179.62
10 S -94.36 20.00 -164.71 158.42 22.00 162.33 60.00 0.64 -178.12 180.00 177.94
11 S NONE 11.00 -91.21 -46.22* 11.00 -4.49 -60.00* 0.85 55.46 180.00 178.73
12 A -106.93* 21.00 -105.22 -31.68* 21.00 92.84 NONE 0.00 NONE 180.00 -177.82
13 G 97.88* 21.00 -63.42 -0.34* 21.00 -53.10 NONE 0.00 NONE 180.00 -178.52
14 M -102.12* 21.00 -63.36 -36.84* 21.00 -49.72 60.00* 0.85 -69.99 180.00 -179.31
15 S -69.62* 5.50 -63.12 -31.92* 5.50 -36.38 -60.00* 0.85 58.06 180.00 178.89
16 T -62.67* 5.50 -68.99 -18.98* 5.50 -38.17 60.00* 0.85 -57.58 180.00 178.62
17 S -53.96* 5.50 -69.12 -41.73* 5.50 -35.65 60.00* 0.85 -72.33 180.00 179.42
18 L -67.27* 5.50 -62.04 -42.74* 5.50 -46.86 180.00* 0.85 -175.00 180.00 178.82
19 L -59.16* 5.50 -59.32 -45.69* 5.50 -45.47 180.00* 0.85 -177.49 180.00 179.52
20 V -57.23* 5.50 -59.51 -50.52* 5.50 -39.84 180.00* 0.85 165.75 180.00 179.24
21 S -54.70* 5.50 -66.57 -46.02* 5.50 -36.28 180.00* 0.85 84.54 180.00 178.09
22 K -67.52* 5.50 -70.24 -42.86* 5.50 -39.77 -60.00* 0.85 -70.43 180.00 178.34
23 M -59.30* 5.50 -64.96 -43.66* 5.50 -40.57 -60.00* 0.85 -70.31 180.00 179.80
24 R -62.45* 5.50 -63.04 -48.28* 5.50 -36.98 -60.00* 0.85 -77.71 180.00 179.66
25 A -61.61* 5.50 -64.38 -36.09* 5.50 -42.74 NONE 0.00 NONE 180.00 179.01
26 Q -79.00* 5.50 -66.11 -32.17* 5.50 -42.37 -60.00* 0.85 -64.49 180.00 -179.63
27 A -64.02* 5.50 -62.08 -35.15* 5.50 -32.55 NONE 0.00 NONE 180.00 -179.09
28 E -69.91* 5.50 -76.26 -46.65* 5.50 -40.27 -60.00* 0.85 -164.00 180.00 179.58
29 K -60.81* 5.50 -59.65 -40.81* 5.50 -43.31 180.00* 0.85 -178.55 180.00 -179.48
30 Y -104.20* 21.00 -101.12 24.59* 21.00 12.60 -60.00* 0.85 -55.63 180.00 179.58
31 E 31.95* 21.00 48.51 56.92* 21.00 45.02 60.00* 0.85 -63.88 180.00 178.36
32 V -99.74* 11.00 -79.33 108.43* 11.00 121.41 180.00* 0.85 -166.14 180.00 -179.64
33 P -78.12* 11.00 -74.38 87.10* 11.00 75.60 30.03* 0.85 35.15 180.00 179.84
34 V -139.15* 11.00 -137.83 148.39* 11.00 156.67 -60.00* 0.85 -63.87 180.00 177.72
35 I -106.83* 11.00 -119.10 115.94* 11.00 130.14 -60.00* 0.85 -75.55 180.00 -177.95
36 I -119.28* 11.00 -124.37 114.63* 11.00 129.73 -60.00* 0.85 -48.19 180.00 -178.64
37 E -139.56* 11.00 -140.28 147.70* 11.00 149.64 -60.00* 0.85 -53.99 180.00 177.51
38 A -111.12* 11.00 -112.72 137.74* 11.00 144.92 NONE 0.00 NONE 180.00 179.62
39 F -139.59* 11.00 -144.51 154.18* 11.00 163.25 -60.00* 0.85 -61.52 180.00 178.48
40 P -70.58* 11.00 -76.29 152.74* 11.00 155.92 17.96* 0.85 26.56 180.00 -179.24
41 E -57.72* 5.50 -55.64 -26.33* 5.50 -24.22 60.00* 0.85 74.89 180.00 -179.25
42 T -56.07* 5.50 -65.48 -32.97* 5.50 -24.24 60.00* 0.85 54.93 180.00 -179.94
43 L -96.51* 5.50 -92.71 15.40* 5.50 7.11 -60.00* 0.85 -69.23 180.00 -178.96
44 A -60.10* 5.50 -51.77 -40.82* 5.50 -36.51 NONE 0.00 NONE 180.00 179.07
45 G -65.25* 5.50 -83.49 -63.06* 5.50 -45.33 NONE 0.00 NONE 180.00 -178.76
46 E -57.66* 15.50 -67.86 -49.19* 15.50 -42.10 180.00* 0.85 -165.25 180.00 -179.87
47 K -90.17* 21.00 -90.71 -31.25* 21.00 -40.56 -60.00* 0.85 -71.03 180.00 -179.65
48 G -61.19* 15.50 -53.06 -24.26* 15.50 -33.29 NONE 0.00 NONE 180.00 179.94
49 Q -57.99* 15.50 -62.62 -29.91* 15.50 -24.15 -60.00* 0.85 68.22 180.00 -179.51
50 N -106.08* 15.50 -94.83 4.51* 15.50 2.81 -60.00* 0.85 -63.18 180.00 -178.48
51 A -80.60* 11.00 -92.99 142.88* 11.00 158.41 NONE 0.00 NONE 180.00 177.91
52 D -89.05* 5.50 -93.38 -29.52* 5.50 -24.23 -60.00* 0.85 -71.69 180.00 176.10
53 V -146.25* 11.00 -154.54 142.68* 11.00 135.47 60.00* 0.85 60.46 180.00 -178.92
54 V -107.59* 11.00 -108.46 123.27* 11.00 118.90 180.00* 0.85 167.59 180.00 179.70
55 L -113.19* 11.00 -109.93 132.90* 11.00 131.21 -60.00* 0.85 -64.01 180.00 -179.10
56 L -110.62* 11.00 -106.42 142.29* 11.00 135.85 -60.00* 0.85 -54.38 180.00 177.45
57 G -64.82* 21.00 -68.03 136.84* 21.00 152.24 NONE 0.00 NONE 180.00 -179.63
58 P -56.30* 21.00 -51.76 -27.68* 21.00 -33.48 15.73* 0.85 -23.78 180.00 -179.49
59 Q -61.81* 21.00 -58.10 -28.53* 21.00 -31.68 60.00* 0.85 -55.72 180.00 -180.00
60 I -113.71* 21.00 -112.91 26.97* 21.00 26.63 60.00* 0.85 60.06 180.00 179.55
61 A -65.25* 15.50 -56.27 -31.29* 15.50 -35.48 NONE 0.00 NONE 180.00 179.22
62 Y -62.33* 15.50 -56.27 -21.04* 15.50 -26.47 60.00* 0.85 67.04 180.00 179.78
63 M -86.63* 15.50 -81.08 -0.26* 15.50 -5.18 -60.00* 0.85 -73.29 180.00 -178.10
64 L -52.82* 5.50 -44.19 -50.15* 5.50 -56.11 180.00* 0.85 -179.00 180.00 179.94
65 P -54.01* 5.50 -56.02 -37.90* 5.50 -39.64 -26.41* 0.85 -24.00 180.00 -179.53
66 E -78.41* 5.50 -72.66 -37.57* 5.50 -35.28 180.00* 0.85 55.29 180.00 178.10
67 I -75.90* 5.50 -66.92 -33.82* 5.50 -36.01 -60.00* 0.85 -60.99 180.00 178.25
68 Q -58.72* 5.50 -64.59 -40.79* 5.50 -37.65 180.00* 0.85 -75.28 180.00 178.08
69 R -60.89* 5.50 -70.68 -45.00* 5.50 -33.08 180.00* 0.85 -79.36 180.00 179.43
70 L -63.96* 5.50 -69.16 -42.90* 5.50 -42.82 -60.00* 0.85 -151.14 180.00 -179.02
71 L -124.02* 11.00 -121.55 71.01* 11.00 73.34 -60.00* 0.85 -45.36 180.00 -178.84
72 P -76.21* 5.50 -62.50 -8.68* 5.50 -24.08 31.30* 0.85 33.20 180.00 -179.35
73 N -109.85* 5.50 -99.50 4.46* 5.50 19.85 -60.00* 0.85 64.43 180.00 -177.60
74 K -121.62* 11.00 -131.02 134.25* 11.00 143.79 -60.00* 0.85 -53.40 180.00 178.63
75 P -69.52* 11.00 -75.19 117.54* 11.00 125.66 25.64* 0.85 19.36 180.00 -179.89
76 V -121.01* 11.00 -125.32 114.28* 11.00 127.61 180.00* 0.85 -179.48 180.00 177.67
77 E -128.59* 21.00 -149.36 154.86* 21.00 158.77 -60.00* 0.85 61.27 180.00 -179.66
78 V -96.23* 21.00 -88.14 139.80* 21.00 136.92 180.00* 0.85 -178.79 180.00 -179.88
79 I -74.40* 11.00 -73.24 129.28* 11.00 137.97 -60.00* 0.85 -63.55 180.00 178.70
80 D -57.42* 11.00 -57.45 131.03* 11.00 128.38 180.00* 0.85 -179.67 180.00 179.75
81 S -48.20* 5.50 -57.45 -46.89* 5.50 -36.17 180.00* 0.85 45.93 180.00 178.47
82 L -70.41* 5.50 -72.23 -43.82* 5.50 -40.58 180.00* 0.85 -104.11 180.00 178.53
83 L -59.76* 5.50 -64.66 -38.97* 5.50 -38.26 -60.00* 0.85 -67.39 180.00 178.76
84 Y -68.68* 5.50 -67.97 -45.68* 5.50 -46.96 180.00* 0.85 -177.01 180.00 179.82
85 G -62.84* 21.00 -60.88 -35.78* 21.00 -36.12 NONE 0.00 NONE 180.00 -179.37
86 K -83.02* 31.00 -88.05 -17.04* 31.00 2.14 180.00* 0.85 -72.08 180.00 -179.46
87 V 45.36* 31.00 51.73 65.10* 31.00 49.36 180.00* 0.85 -154.37 180.00 -179.89
88 D -102.49* 31.00 -82.81 93.52* 31.00 85.52 180.00* 0.85 -168.08 180.00 179.92
89 G -56.47* 21.00 -56.61 -43.13* 21.00 -42.67 NONE 0.00 NONE 180.00 -179.96
90 L -67.23* 5.50 -70.96 -43.95* 5.50 -39.88 180.00* 0.85 -177.72 180.00 -179.63
91 G -54.73* 5.50 -60.85 -48.63* 5.50 -47.77 NONE 0.00 NONE 180.00 179.85
92 V -69.79* 5.50 -68.19 -39.84* 5.50 -38.80 180.00* 0.85 -178.53 180.00 178.60
93 L -61.16* 5.50 -60.47 -44.44* 5.50 -41.78 180.00* 0.85 -179.56 180.00 178.81
94 K -63.11* 5.50 -62.97 -40.12* 5.50 -45.55 -60.00* 0.85 -75.03 180.00 179.17
95 A -66.26* 5.50 -61.60 -38.31* 5.50 -38.98 NONE 0.00 NONE 180.00 179.25
96 A -65.19* 5.50 -63.54 -46.86* 5.50 -47.29 NONE 0.00 NONE 180.00 -179.39
97 V -66.24* 5.50 -63.76 -39.39* 5.50 -37.76 180.00* 0.85 178.02 180.00 178.35
98 A -62.75* 5.50 -60.65 -40.87* 5.50 -47.53 NONE 0.00 NONE 180.00 -179.80
99 A -68.59* 5.50 -58.03 -38.97* 5.50 -39.90 NONE 0.00 NONE 180.00 -179.82
100 I -59.09* 5.50 -62.83 -48.60* 5.50 -42.03 -60.00* 0.85 -61.21 180.00 -179.95
101 K -66.91* 5.50 -70.00 -27.93* 5.50 -42.02 -60.00* 0.85 -94.46 180.00 177.88
102 K -84.42* 21.00 -61.45 12.33* 21.00 -39.35 180.00* 0.85 166.54 180.00 -179.91
103 A -119.01* 31.00 -64.16 -50.89* 31.00 -29.40 NONE 0.00 NONE 180.00 179.87
104 A -70.56* 41.00 -56.69 -24.20* 41.00 -6.35 NONE 0.00 NONE 180.00 179.00
105 A -163.27* 41.00 96.07 -169.09* 41.00 NONE NONE 0.00 NONE 180.00 NONE
106 N 74.76* 41.00 NONE NONE 41.00 NONE -60.00* 0.85 NONE 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .