Comparison of PREDITOR
predictions with PDB-derived angles for Alpha-lytic protease .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 2ALP.
PDB Homologue: 1BOQ; BLAST E value= 1e-65; %Seq Identity= 90.91
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 A NONE 21.00 NONE 145.79* 21.00 156.55 NONE 0.00 NONE 180.00 178.33
2 N -79.86* 21.00 -92.43 116.84* 21.00 123.60 -60.00* 0.85 -78.20 180.00 -178.93
3 I -84.86* 11.00 -90.40 105.01* 11.00 111.62 -60.00* 0.85 -50.52 180.00 -178.85
4 V -116.04* 11.00 -128.65 140.39* 11.00 140.60 180.00* 0.85 169.78 180.00 179.19
5 G -58.67* 21.00 -60.82 135.75* 21.00 140.13 NONE 0.00 NONE 180.00 175.97
6 G 106.00* 21.00 96.62 -14.75* 21.00 NONE NONE 0.00 NONE 180.00 NONE
7 I -90.64* 31.00 NONE 156.29* 31.00 158.76 60.00* 0.85 69.91 180.00 179.80
8 E -66.51* 21.00 -76.64 142.12* 21.00 146.32 180.00* 0.85 -177.79 180.00 170.48
9 Y -144.46* 11.00 -144.40 145.09* 11.00 155.31 60.00* 0.85 72.84 180.00 177.29
10 S -100.70* 11.00 -110.58 157.58* 11.00 160.81 60.00* 0.85 63.13 180.00 -179.95
11 I -118.70* 11.00 -122.98 115.90* 11.00 121.60 -60.00* 0.85 -53.38 180.00 179.83
12 N 54.90* 21.00 49.45 38.39* 21.00 NONE -60.00* 0.85 -72.43 180.00 NONE
13 N 60.03* 31.00 NONE 12.01* 31.00 25.32 -60.00* 0.85 -98.06 180.00 -175.55
14 A -121.39* 21.00 -129.79 -81.15* 21.00 -81.52 NONE 0.00 NONE 180.00 -177.67
15 S -73.26* 21.00 -72.35 153.61* 21.00 158.38 -60.00* 0.85 -68.31 180.00 176.49
16 L -111.43* 21.00 -121.90 140.06* 21.00 144.79 -60.00* 0.85 -61.34 180.00 172.93
17 C -137.36* 21.00 -143.75 -179.75* 21.00 -174.39 -60.00* 0.85 -86.26 180.00 -179.61
18 S -113.75* 11.00 -122.68 147.90* 11.00 146.40 -60.00* 0.85 -59.84 180.00 177.72
19 V -68.02* 11.00 -69.75 134.21* 11.00 140.50 180.00* 0.85 169.30 180.00 177.27
20 G -84.18* 5.50 -86.41 -74.19* 5.50 -81.34 NONE 0.00 NONE 180.00 -179.09
21 F -147.29* 11.00 -146.31 141.06* 11.00 146.72 -60.00* 0.85 -60.29 180.00 175.26
22 S -68.16* 11.00 -70.64 131.60* 11.00 138.19 -60.00* 0.85 -71.17 180.00 178.36
23 V -135.47* 11.00 -145.46 164.23* 11.00 168.82 -60.00* 0.85 -69.14 180.00 174.06
24 T -129.68* 11.00 -130.28 156.53* 11.00 156.30 60.00* 0.85 56.90 180.00 173.31
25 R -133.11* 11.00 -135.74 84.17* 11.00 85.71 180.00* 0.85 -159.86 180.00 -175.93
26 G 70.64* 21.00 68.08 -129.00* 21.00 -131.91 NONE 0.00 NONE 180.00 179.86
27 A -81.18* 21.00 -74.76 -9.69* 21.00 -12.01 NONE 0.00 NONE 180.00 -176.91
28 T -79.52* 21.00 -80.57 127.49* 21.00 130.56 -60.00* 0.85 -53.25 180.00 178.06
29 K -83.90* 21.00 -90.42 144.85* 21.00 150.97 -60.00* 0.85 -71.19 180.00 177.86
30 G -158.81* 21.00 -164.50 177.14* 21.00 -179.13 NONE 0.00 NONE 180.00 171.57
31 F -139.42* 11.00 -143.03 148.45* 11.00 143.93 60.00* 0.85 69.65 180.00 175.70
32 V -90.80* 11.00 -89.67 152.00* 11.00 149.44 -60.00* 0.85 -64.00 180.00 -177.53
33 T -158.62* 11.00 -159.92 -174.78* 11.00 -171.03 180.00* 0.85 -167.85 180.00 -177.99
34 A -83.98* 11.00 -87.79 146.03* 11.00 141.93 NONE 0.00 NONE 180.00 -179.39
35 G -66.64* 5.50 -63.13 -28.61* 5.50 -34.50 NONE 0.00 NONE 180.00 179.87
36 H -74.63* 5.50 -67.02 -4.48* 5.50 -13.43 60.00* 0.85 77.51 180.00 -179.24
37 C -75.80* 5.50 -69.51 -26.29* 5.50 -30.40 -60.00* 0.85 -70.15 180.00 -177.07
38 G -167.96* 11.00 -164.13 161.41* 11.00 169.55 NONE 0.00 NONE 180.00 176.37
39 T -85.96* 11.00 -102.91 164.65* 11.00 168.11 60.00* 0.85 44.16 180.00 179.11
40 V -53.52* 11.00 -57.50 142.08* 11.00 139.27 180.00* 0.85 173.71 180.00 179.96
41 N 62.91* 11.00 77.39 6.28* 11.00 -0.97 -60.00* 0.85 -54.26 180.00 177.62
42 A -64.00* 11.00 -63.69 140.88* 11.00 144.16 NONE 0.00 NONE 180.00 -177.48
43 T -80.61* 11.00 -89.83 124.43* 11.00 NONE -60.00* 0.85 -55.09 180.00 NONE
44 A -93.01* 11.00 NONE 129.68* 11.00 133.53 NONE 0.00 NONE 180.00 178.04
45 R -120.48* 11.00 -122.96 144.42* 11.00 145.70 -60.00* 0.85 -68.77 180.00 175.45
46 I -126.80* 21.00 -128.00 115.99* 21.00 124.00 -60.00* 0.85 -65.72 180.00 -179.62
49 A -75.96* 21.00 -97.04 134.59* 21.00 139.45 NONE 0.00 NONE 180.00 176.65
50 V -69.55* 11.00 -68.51 127.99* 11.00 128.85 180.00* 0.85 170.09 180.00 -179.01
51 V -116.51* 5.50 -116.66 -17.35* 5.50 -21.96 -60.00* 0.85 -65.49 180.00 -178.98
52 G 169.56* 11.00 172.09 -168.01* 11.00 NONE NONE 0.00 NONE 180.00 NONE
53 T -141.27* 11.00 NONE 154.05* 11.00 154.90 60.00* 0.85 60.77 180.00 179.88
54 F -61.85* 21.00 -66.18 125.71* 21.00 124.81 -60.00* 0.85 -86.44 180.00 -179.04
55 A -92.83* 21.00 -90.15 -28.87* 21.00 -38.17 NONE 0.00 NONE 180.00 -177.77
56 A -164.04* 21.00 -159.61 151.76* 21.00 155.41 NONE 0.00 NONE 180.00 175.47
57 R -160.14* 21.00 -158.16 159.33* 21.00 161.81 60.00* 0.85 54.97 180.00 172.99
58 V -139.19* 21.00 -138.38 117.58* 21.00 NONE 180.00* 0.85 -173.41 180.00 NONE
59 F -167.87* 21.00 NONE 131.42* 21.00 133.66 180.00* 0.85 175.27 0.00 -3.09
60 P -79.56* 31.00 -81.00 -149.54* 31.00 NONE 42.26* 0.85 38.13 180.00 NONE
61 G 83.09* 21.00 NONE -67.41* 21.00 -70.65 NONE 0.00 NONE 180.00 172.83
62 N -119.44* 21.00 -116.94 179.47* 21.00 -173.90 -60.00* 0.85 -57.89 180.00 176.38
63 D -145.71* 11.00 -147.10 79.58* 11.00 77.92 180.00* 0.85 -167.18 180.00 -175.56
64 R -141.81* 11.00 -144.75 146.53* 11.00 156.59 60.00* 0.85 63.04 180.00 176.80
65 A -155.84* 11.00 -165.36 158.79* 11.00 164.88 NONE 0.00 NONE 180.00 172.09
66 W -129.91* 11.00 -138.46 142.82* 11.00 145.69 60.00* 0.85 80.78 180.00 179.35
67 V -98.83* 11.00 -110.65 123.46* 11.00 126.68 180.00* 0.85 169.43 180.00 178.24
68 S -88.67* 11.00 -89.87 127.07* 11.00 129.92 60.00* 0.85 36.13 180.00 -176.94
69 L -93.02* 21.00 -98.85 154.70* 21.00 162.01 -60.00* 0.85 -62.24 180.00 174.77
70 T -71.83* 31.00 -75.53 153.96* 31.00 161.96 60.00* 0.85 71.11 180.00 -178.94
72 A -68.72* 31.00 -71.82 -19.69* 31.00 -17.23 NONE 0.00 NONE 180.00 -176.80
73 Q -73.78* 31.00 -76.30 144.82* 31.00 144.97 -60.00* 0.85 -44.69 180.00 -179.43
74 T -108.71* 31.00 -106.90 110.62* 31.00 115.41 -60.00* 0.85 -52.81 180.00 -179.69
75 L -77.61* 31.00 -87.31 128.83* 31.00 NONE -60.00* 0.85 -60.52 180.00 NONE
77 P -84.60* 11.00 -82.81 53.79* 11.00 51.29 36.90* 0.85 37.62 180.00 -174.67
78 R -140.52* 11.00 -140.88 145.89* 11.00 157.43 -60.00* 0.85 -58.06 180.00 176.47
79 V -115.60* 11.00 -125.03 133.90* 11.00 137.54 180.00* 0.85 168.49 180.00 178.69
80 A -66.10* 21.00 -67.10 135.70* 21.00 135.22 NONE 0.00 NONE 180.00 174.56
81 N -136.51* 21.00 -138.00 92.06* 21.00 88.49 180.00* 0.85 163.20 180.00 -176.98
82 G 58.24* 21.00 63.65 -137.36* 21.00 -124.37 NONE 0.00 NONE 180.00 -177.54
83 S -79.88* 15.50 -92.00 -1.54* 15.50 -5.87 -60.00* 0.85 -85.92 180.00 -177.69
84 S -111.68* 11.00 -106.89 -174.25* 11.00 -174.64 180.00* 0.85 -154.23 180.00 -178.66
85 F -140.17* 11.00 -139.72 154.74* 11.00 154.09 -60.00* 0.85 -53.28 180.00 174.19
86 V -113.98* 11.00 -111.47 128.84* 11.00 127.43 180.00* 0.85 176.57 180.00 179.53
87 T -83.25* 21.00 -80.54 135.69* 21.00 137.38 -60.00* 0.85 -55.40 180.00 177.49
88 V -83.26* 31.00 -87.33 118.03* 31.00 120.22 180.00* 0.85 177.70 180.00 -177.11
89 R -103.76* 31.00 -108.59 -16.07* 31.00 -18.88 -60.00* 0.85 -67.41 180.00 -179.57
90 G 168.58* 31.00 175.71 -168.91* 31.00 -165.10 NONE 0.00 NONE 180.00 179.97
91 S -132.52* 21.00 -136.42 41.66* 21.00 40.56 60.00* 0.85 55.95 180.00 175.11
92 T -63.16* 11.00 -66.74 121.14* 11.00 NONE -60.00* 0.85 -56.67 180.00 NONE
93 E -79.57* 11.00 NONE 120.90* 11.00 130.23 180.00* 0.85 178.77 180.00 179.02
94 A -70.55* 21.00 -83.47 147.57* 21.00 159.55 NONE 0.00 NONE 180.00 -178.69
95 A -81.34* 21.00 -93.08 167.73* 21.00 168.22 NONE 0.00 NONE 180.00 175.54
96 V -56.38* 31.00 -58.12 137.59* 31.00 135.30 180.00* 0.85 176.39 180.00 -177.85
97 G 94.02* 31.00 97.78 -15.12* 31.00 -15.52 NONE 0.00 NONE 180.00 -179.96
98 A -65.21* 31.00 -70.84 149.67* 31.00 150.29 NONE 0.00 NONE 180.00 176.57
99 A -76.00* 31.00 -77.85 147.03* 31.00 145.21 NONE 0.00 NONE 180.00 179.87
100 V -154.96* 21.00 -151.45 154.70* 21.00 154.91 60.00* 0.85 67.54 180.00 177.93
101 C -128.21* 11.00 -127.56 166.75* 11.00 163.22 -60.00* 0.85 -57.27 180.00 178.11
102 R -138.76* 11.00 -139.81 154.13* 11.00 153.64 60.00* 0.85 52.90 180.00 -178.66
103 S -128.48* 11.00 -129.79 135.51* 11.00 136.82 180.00* 0.85 -177.16 180.00 -178.34
104 G -169.04* 11.00 -163.10 155.59* 11.00 165.10 NONE 0.00 NONE 180.00 -173.65
105 R -73.93* 15.50 -75.22 -13.79* 15.50 -11.81 60.00* 0.85 59.13 180.00 -177.45
106 T -95.83* 15.50 -95.79 -51.14* 15.50 -56.35 -60.00* 0.85 -58.79 180.00 -179.26
107 T -107.53* 21.00 -102.09 6.36* 21.00 NONE 60.00* 0.85 66.46 180.00 NONE
108 G 73.66* 21.00 NONE -150.10* 21.00 -146.00 NONE 0.00 NONE 180.00 -176.99
109 Y -86.38* 21.00 -94.61 112.69* 21.00 119.45 180.00* 0.85 -167.21 180.00 -176.21
110 Q -126.02* 11.00 -130.05 148.76* 11.00 146.85 -60.00* 0.85 -61.74 180.00 -179.96
111 C -131.50* 11.00 -127.60 155.78* 11.00 160.48 -60.00* 0.85 -59.22 180.00 178.53
112 G -170.23* 21.00 -170.98 -160.14* 21.00 -148.36 NONE 0.00 NONE 180.00 -179.44
113 T -126.85* 21.00 -134.72 158.76* 21.00 162.32 60.00* 0.85 67.23 180.00 176.63
114 I -71.92* 31.00 -82.13 120.71* 31.00 129.06 -60.00* 0.85 -63.95 180.00 -176.73
115 T -102.04* 31.00 -110.81 -16.95* 31.00 -22.60 60.00* 0.85 57.32 180.00 -177.78
116 A -171.28* 31.00 -166.43 155.35* 31.00 156.73 NONE 0.00 NONE 180.00 179.34
117 K -125.95* 31.00 -125.61 165.01* 31.00 164.29 -60.00* 0.85 -69.61 180.00 179.00
118 N 59.76* 31.00 56.18 43.41* 31.00 48.83 180.00* 0.85 -155.50 180.00 178.18
119 V -88.89* 21.00 -94.30 133.00* 21.00 139.34 -60.00* 0.85 174.05 180.00 173.57
120 T -87.78* 21.00 -96.43 127.03* 21.00 134.38 -60.00* 0.85 -60.44 180.00 176.59
121 A -103.63* 11.00 -112.75 134.92* 11.00 137.92 NONE 0.00 NONE 180.00 177.92
125 E -80.34* 15.50 -74.85 -16.90* 15.50 -20.09 -60.00* 0.85 -55.65 180.00 -175.41
126 G 148.49* 21.00 144.57 169.28* 21.00 174.61 NONE 0.00 NONE 180.00 -179.11
127 A -67.80* 21.00 -75.71 132.61* 21.00 149.11 NONE 0.00 NONE 180.00 173.98
128 V -108.27* 21.00 -126.96 118.45* 21.00 118.63 180.00* 0.85 174.48 180.00 -178.54
129 R -95.80* 21.00 -102.44 160.60* 21.00 163.82 -60.00* 0.85 -58.69 180.00 174.24
130 G 70.54* 31.00 70.93 22.40* 31.00 23.06 NONE 0.00 NONE 180.00 179.19
131 L -80.96* 31.00 -79.22 154.76* 31.00 156.97 -60.00* 0.85 -62.10 180.00 175.14
132 T -100.43* 31.00 -103.37 144.04* 31.00 138.24 -60.00* 0.85 -63.22 180.00 -179.20
133 Q -106.61* 21.00 -109.03 132.62* 21.00 138.94 180.00* 0.85 173.33 180.00 175.56
134 G -122.40* 21.00 -134.29 168.12* 21.00 175.34 NONE 0.00 NONE 180.00 -178.48
135 N -111.29* 21.00 -118.27 20.18* 21.00 18.86 60.00* 0.85 67.90 180.00 170.98
136 A -64.06* 11.00 -74.71 144.58* 11.00 NONE NONE 0.00 NONE 180.00 NONE
137 C -90.94* 11.00 NONE 166.60* 11.00 164.60 60.00* 0.85 82.69 180.00 -177.40
138 M -154.49* 21.00 -161.22 170.97* 21.00 168.82 60.00* 0.85 54.13 180.00 -179.46
139 G -133.00* 21.00 -144.75 169.72* 21.00 170.43 NONE 0.00 NONE 180.00 178.45
143 S -41.53* 21.00 -49.16 139.11* 21.00 141.61 -60.00* 0.85 -68.35 180.00 -179.81
144 G 82.32* 21.00 88.40 -22.71* 21.00 -20.86 NONE 0.00 NONE 180.00 -176.41
145 G -70.79* 31.00 -65.20 160.10* 31.00 160.29 NONE 0.00 NONE 180.00 -177.26
146 S -61.95* 31.00 -68.19 139.62* 31.00 147.53 -60.00* 0.85 -34.39 180.00 167.85
147 W -116.91* 21.00 -123.04 128.19* 21.00 127.17 -60.00* 0.85 -81.29 180.00 -175.08
148 I -152.16* 21.00 -151.55 146.95* 21.00 151.55 180.00* 0.85 -173.40 180.00 175.38
149 T -81.51* 21.00 -83.65 158.62* 21.00 162.51 60.00* 0.85 64.36 180.00 179.17
150 S -55.94* 15.50 -63.25 -27.19* 15.50 -21.40 60.00* 0.85 64.04 180.00 178.51
151 A -74.94* 21.00 -84.73 5.69* 21.00 NONE NONE 0.00 NONE 180.00 NONE
152 G 88.10* 21.00 NONE 7.03* 21.00 15.36 NONE 0.00 NONE 180.00 178.71
153 Q -89.40* 21.00 -91.16 111.05* 21.00 112.26 -60.00* 0.85 -64.64 180.00 -179.84
154 A -61.08* 21.00 -67.43 114.41* 21.00 128.65 NONE 0.00 NONE 180.00 -176.26
155 Q -92.73* 5.50 -102.74 -45.65* 5.50 -39.32 -60.00* 0.85 -55.28 180.00 -176.06
156 G 174.09* 11.00 170.52 -166.68* 11.00 -171.89 NONE 0.00 NONE 180.00 -177.68
157 V -113.86* 11.00 -121.38 141.02* 11.00 140.58 -60.00* 0.85 -62.31 180.00 -179.54
158 M -55.58* 11.00 -56.31 121.39* 11.00 130.63 180.00* 0.85 179.41 180.00 178.98
159 S -102.11* 21.00 -112.11 -62.12* 21.00 -53.82 180.00* 0.85 177.02 180.00 -177.32
160 G -159.20* 31.00 -176.71 -179.55* 31.00 -173.92 NONE 0.00 NONE 180.00 -177.96
161 G -171.70* 31.00 173.50 160.19* 31.00 178.76 NONE 0.00 NONE 180.00 -177.46
162 N -80.03* 31.00 -82.75 70.84* 31.00 74.48 60.00* 0.85 62.68 180.00 179.75
163 V -66.09* 31.00 -72.37 135.29* 31.00 148.39 -60.00* 0.85 -60.57 180.00 -179.43
164 Q -84.32* 21.00 -96.06 -174.44* 21.00 -177.03 -60.00* 0.85 -47.58 180.00 -178.58
165 S -70.21* 21.00 -60.30 -10.83* 21.00 -23.94 60.00* 0.85 78.09 180.00 179.09
166 N -83.66* 31.00 -81.22 0.84* 31.00 1.40 60.00* 0.85 70.04 180.00 178.62
167 G 98.50* 41.00 88.56 -5.94* 41.00 -0.89 NONE 0.00 NONE 180.00 177.59
168 N -145.46* 41.00 -142.11 178.48* 41.00 -178.91 60.00* 0.85 62.16 180.00 176.09
169 N -114.32* 31.00 -120.15 26.36* 31.00 21.28 60.00* 0.85 64.23 180.00 -179.64
170 C -76.01* 31.00 -79.11 -14.96* 31.00 -18.03 -60.00* 0.85 -61.55 180.00 -178.19
171 G -98.02* 21.00 -85.40 20.96* 21.00 4.38 NONE 0.00 NONE 180.00 179.61
172 I -130.61* 11.00 -123.05 154.90* 11.00 157.41 60.00* 0.85 65.53 180.00 -178.08
177 R -80.71* 21.00 -92.39 141.91* 21.00 141.22 -60.00* 0.85 -61.60 180.00 174.35
178 S -133.29* 21.00 -128.14 101.46* 21.00 102.31 180.00* 0.85 168.27 180.00 179.33
179 S -113.04* 11.00 -116.36 114.28* 11.00 118.76 -60.00* 0.85 -55.19 180.00 -171.82
180 L -103.61* 11.00 -112.90 132.98* 11.00 139.86 -60.00* 0.85 -52.62 180.00 178.35
181 F -120.03* 11.00 -127.53 152.06* 11.00 150.89 60.00* 0.85 68.09 180.00 176.69
182 E -84.23* 11.00 -89.78 126.68* 11.00 126.35 180.00* 0.85 170.23 180.00 179.26
183 R -57.34* 11.00 -58.29 135.97* 11.00 138.61 -60.00* 0.85 -68.34 180.00 179.79
184 L -70.08* 21.00 -69.94 -40.75* 21.00 -41.26 180.00* 0.85 179.92 180.00 -174.89
185 Q -53.14* 21.00 -48.53 -48.12* 21.00 -53.76 -60.00* 0.85 -81.97 180.00 178.41
186 P -65.11* 5.50 -59.48 -28.26* 5.50 -33.62 34.07* 0.85 13.47 180.00 179.01
187 I -68.82* 5.50 -64.85 -47.47* 5.50 -49.08 -60.00* 0.85 -50.05 180.00 -178.36
188 L -59.67* 5.50 -57.65 -41.14* 5.50 -46.26 -60.00* 0.85 -57.07 180.00 -178.14
189 S -81.87* 5.50 -72.05 -36.64* 5.50 -39.57 60.00* 0.85 62.72 180.00 -179.38
190 Q -59.44* 5.50 -58.06 -39.27* 5.50 -42.76 180.00* 0.85 173.99 180.00 -176.68
191 Y -99.56* 5.50 -100.70 7.60* 5.50 1.45 -60.00* 0.85 -62.40 180.00 179.19
192 G 61.77* 11.00 65.34 42.08* 11.00 39.19 NONE 0.00 NONE 180.00 -178.86
193 L -96.23* 11.00 -92.86 153.78* 11.00 154.56 -60.00* 0.85 -55.71 180.00 173.27
194 S -123.28* 21.00 -118.45 137.33* 21.00 135.09 -60.00* 0.85 -70.02 180.00 -179.83
195 L -70.51* 21.00 -72.89 139.08* 21.00 140.96 180.00* 0.85 -171.06 180.00 175.45
196 V -79.55* 31.00 -85.84 119.81* 31.00 124.71 180.00* 0.85 170.58 180.00 -177.90
197 T -122.46* 31.00 -124.09 162.55* 31.00 164.23 60.00* 0.85 65.69 180.00 -179.62
198 G -147.43* 31.00 -141.47 NONE 31.00 NONE NONE 0.00 NONE 180.00 NONE
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Mark Berjanskii , Steve Neal ,
or David Wishart .