Comparison of PREDITOR
predictions with PDB-derived angles for Cutinase (F.solani) .
Chemical shifts were obtained from 4101,
Reference structure is 1CEX.
PDB Homologue: 1XZD; BLAST E value= 2e-91; %Seq Identity= 94.85
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
18 T 41.19* 31.00 -87.87 -38.89* 31.00 -6.48 60.00* 0.85 57.93 180.00 172.98
19 T -119.05* 31.00 -120.71 129.20* 31.00 124.78 -60.00* 0.85 -64.33 180.00 172.00
20 R -148.34* 11.00 -136.26 121.33* 11.00 128.57 -60.00* 0.85 -67.81 180.00 -179.86
21 D -127.01* 11.00 -127.58 46.45* 11.00 42.51 -60.00* 0.85 -72.54 180.00 -170.09
22 D -65.20* 5.50 -65.21 -37.30* 5.50 -32.64 -60.00* 0.85 -63.23 180.00 177.18
23 L -65.93* 5.50 -70.41 -44.55* 5.50 -47.90 180.00* 0.85 169.18 180.00 179.33
24 I -67.51* 5.50 -61.09 -33.75* 5.50 -42.49 -60.00* 0.85 -66.05 180.00 -174.22
25 N -89.78* 21.00 -81.53 -16.60* 21.00 -21.02 -60.00* 0.85 -69.66 180.00 -166.90
26 G -72.77* 31.00 -71.66 138.30* 31.00 148.49 NONE 0.00 NONE 180.00 176.95
31 C -62.23* 11.00 -59.16 136.92* 11.00 147.40 -60.00* 0.85 -81.16 180.00 165.65
32 A -67.79* 11.00 -69.08 172.18* 11.00 158.00 NONE 0.00 NONE 180.00 173.40
33 D -86.89* 5.50 -75.87 -27.48* 5.50 -28.46 -60.00* 0.85 -65.59 180.00 -173.71
34 V -129.29* 11.00 -133.02 133.20* 11.00 134.17 180.00* 0.85 -178.47 180.00 176.95
35 I -127.08* 11.00 -126.98 120.23* 11.00 124.81 -60.00* 0.85 -60.24 180.00 -178.78
36 F -102.85* 11.00 -109.84 124.15* 11.00 121.78 180.00* 0.85 179.30 180.00 179.78
37 I -113.92* 11.00 -113.82 120.46* 11.00 122.83 -60.00* 0.85 -58.81 180.00 -168.27
38 Y -123.75* 11.00 -133.15 139.18* 11.00 135.41 180.00* 0.85 179.10 180.00 178.81
39 A -117.27* 11.00 -114.54 130.37* 11.00 127.32 NONE 0.00 NONE 180.00 -176.82
40 R -83.89* 11.00 -77.26 171.66* 11.00 170.78 60.00* 0.85 76.63 180.00 177.84
41 G -80.26* 21.00 -83.92 -179.30* 21.00 173.82 NONE 0.00 NONE 180.00 -179.87
44 E -81.95* 31.00 -80.44 161.61* 31.00 159.76 -60.00* 0.85 -64.94 180.00 -174.33
45 T -91.57* 31.00 -92.20 172.56* 31.00 162.56 60.00* 0.85 69.80 180.00 179.93
46 G 53.88* 31.00 61.38 -152.47* 31.00 -148.51 NONE 0.00 NONE 180.00 171.55
47 N -111.95* 31.00 -115.88 8.26* 31.00 2.77 60.00* 0.85 62.58 180.00 177.73
48 L -115.99* 21.00 -116.21 -21.22* 21.00 -18.19 -60.00* 0.85 -64.14 180.00 -179.59
49 G 59.32* 21.00 58.11 -150.76* 21.00 -147.57 NONE 0.00 NONE 180.00 -169.78
50 T -78.53* 15.50 -82.28 -38.03* 15.50 -31.62 60.00* 0.85 63.10 180.00 -174.26
51 L -85.64* 15.50 -97.87 -38.70* 15.50 -32.92 -60.00* 0.85 -56.42 180.00 -173.47
52 G -48.92* 5.50 -57.08 -53.54* 5.50 -40.29 NONE 0.00 NONE 180.00 -179.20
53 P -55.84* 5.50 -61.41 -29.01* 5.50 -36.17 -19.07* 0.85 -25.60 180.00 179.62
54 S -76.60* 5.50 -64.18 -42.27* 5.50 -45.56 -60.00* 0.85 -70.07 180.00 178.44
55 I -63.24* 5.50 -61.81 -48.16* 5.50 -46.29 -60.00* 0.85 -52.81 180.00 -176.86
56 A -53.04* 5.50 -58.17 -53.88* 5.50 -46.18 NONE 0.00 NONE 180.00 -179.06
57 S -48.22* 5.50 -59.06 -48.71* 5.50 -40.20 -60.00* 0.85 -67.45 180.00 179.34
58 N -68.37* 5.50 -71.82 -32.03* 5.50 -32.92 -60.00* 0.85 -72.74 180.00 174.54
59 L -73.49* 5.50 -67.92 -37.40* 5.50 -40.50 -60.00* 0.85 -63.64 180.00 177.07
60 E -63.51* 5.50 -61.53 -36.38* 5.50 -39.64 -60.00* 0.85 -67.76 180.00 176.50
61 S -63.07* 5.50 -62.09 -40.52* 5.50 -37.05 -60.00* 0.85 -67.53 180.00 -178.25
62 A -73.34* 15.50 -77.37 -38.66* 15.50 -43.75 NONE 0.00 NONE 180.00 -171.10
63 F -113.45* 31.00 -104.69 -8.23* 31.00 -12.26 -60.00* 0.85 -59.13 180.00 -174.61
67 G 85.12* 11.00 88.55 158.14* 11.00 150.86 NONE 0.00 NONE 180.00 -176.96
68 V -138.57* 11.00 -136.50 127.88* 11.00 136.81 60.00* 0.85 59.89 180.00 171.29
69 W -99.59* 11.00 -107.09 124.12* 11.00 127.72 -60.00* 0.85 -75.46 180.00 178.29
70 I -107.10* 11.00 -102.93 127.41* 11.00 124.21 180.00* 0.85 -49.18 180.00 -176.35
71 Q -125.59* 11.00 -135.09 111.94* 11.00 112.59 180.00* 0.85 178.93 180.00 171.17
72 G -84.83* 21.00 -80.75 161.04* 21.00 160.64 NONE 0.00 NONE 180.00 176.45
73 V -90.97* 21.00 -90.25 114.13* 21.00 105.95 180.00* 0.85 -176.23 180.00 -179.63
74 G -116.07* 21.00 -111.11 -119.05* 21.00 -131.02 NONE 0.00 NONE 180.00 175.05
75 G 44.05* 21.00 58.10 -127.26* 21.00 -126.50 NONE 0.00 NONE 180.00 -178.47
76 A -60.34* 15.50 -70.69 -21.86* 15.50 -12.72 NONE 0.00 NONE 180.00 179.42
77 Y -76.27* 11.00 -83.19 109.29* 11.00 101.76 180.00* 0.85 -179.90 180.00 -177.50
78 R -87.17* 21.00 -94.56 -21.26* 21.00 -4.13 180.00* 0.85 -66.67 180.00 174.63
79 A 52.53* 21.00 55.20 46.92* 21.00 46.43 NONE 0.00 NONE 180.00 -176.82
80 T -78.48* 21.00 -83.13 126.00* 21.00 127.40 -60.00* 0.85 -65.05 180.00 -173.68
81 L -52.31* 21.00 -52.64 -44.90* 21.00 -45.25 180.00* 0.85 -174.79 180.00 -175.81
82 G -53.49* 15.50 -63.16 -27.04* 15.50 -20.67 NONE 0.00 NONE 180.00 179.26
83 D -74.42* 5.50 -70.47 -2.63* 5.50 -11.22 -60.00* 0.85 -70.27 180.00 172.67
84 N -69.52* 15.50 -59.54 -26.52* 15.50 -26.12 -60.00* 0.85 -72.99 180.00 -177.12
85 A -77.38* 21.00 -83.63 -3.05* 21.00 -9.74 NONE 0.00 NONE 180.00 178.90
86 L -76.29* 21.00 -69.50 152.36* 21.00 161.03 -60.00* 0.85 -64.43 180.00 -175.02
88 R -98.50* 21.00 -92.15 10.77* 21.00 5.80 -60.00* 0.85 -59.15 180.00 -178.51
89 G 80.33* 21.00 82.54 12.63* 21.00 9.87 NONE 0.00 NONE 180.00 175.25
90 T -172.52* 21.00 -164.06 175.01* 21.00 177.98 180.00* 0.85 -169.13 180.00 179.55
91 S -81.95* 11.00 -84.90 161.52* 11.00 155.92 60.00* 0.85 74.97 180.00 173.00
92 S -70.47* 5.50 -61.31 -32.87* 5.50 -36.88 -60.00* 0.85 -67.17 180.00 179.96
93 A -60.63* 5.50 -65.46 -40.88* 5.50 -35.21 NONE 0.00 NONE 180.00 177.77
94 A -71.53* 5.50 -67.01 -40.65* 5.50 -42.54 NONE 0.00 NONE 180.00 177.67
95 I -56.06* 5.50 -59.08 -41.47* 5.50 -43.77 -60.00* 0.85 -64.72 180.00 179.59
96 R -62.90* 5.50 -61.67 -37.31* 5.50 -37.92 180.00* 0.85 178.18 180.00 177.85
97 E -66.99* 5.50 -61.13 -46.61* 5.50 -51.45 180.00* 0.85 -174.37 180.00 -175.50
98 M -72.89* 5.50 -66.43 -35.65* 5.50 -40.81 180.00* 0.85 -170.77 180.00 172.85
99 L -56.62* 5.50 -55.34 -42.97* 5.50 -43.26 180.00* 0.85 -77.56 180.00 -178.90
100 G -69.03* 5.50 -63.43 -27.53* 5.50 -34.15 NONE 0.00 NONE 180.00 177.59
101 L -78.06* 5.50 -69.49 -35.12* 5.50 -41.35 -60.00* 0.85 -68.84 180.00 175.13
102 F -63.00* 5.50 -59.72 -41.18* 5.50 -41.56 -60.00* 0.85 -76.24 180.00 178.63
103 Q -68.53* 5.50 -64.52 -37.47* 5.50 -41.29 -60.00* 0.85 -69.72 180.00 176.32
104 Q -61.91* 5.50 -60.28 -42.93* 5.50 -43.60 -60.00* 0.85 -175.68 180.00 178.80
105 A -58.59* 5.50 -59.89 -44.61* 5.50 -46.30 NONE 0.00 NONE 180.00 -179.44
106 N -61.40* 5.50 -60.14 -40.19* 5.50 -36.98 180.00* 0.85 -173.96 180.00 -178.05
107 T -81.36* 5.50 -83.15 -51.71* 5.50 -41.53 -60.00* 0.85 66.02 180.00 -178.09
108 K -59.91* 5.50 -72.83 -43.28* 5.50 -41.25 180.00* 0.85 -163.33 180.00 -172.99
109 C -133.66* 11.00 -134.37 80.42* 11.00 73.94 -60.00* 0.85 -57.66 180.00 -172.36
110 P -68.94* 21.00 -60.47 -11.11* 21.00 -25.34 29.93* 0.85 -6.99 180.00 -177.07
111 D -102.64* 31.00 -95.94 0.18* 31.00 -2.31 -60.00* 0.85 -55.98 180.00 177.14
112 A -70.62* 31.00 -71.37 145.47* 31.00 147.32 NONE 0.00 NONE 180.00 168.75
113 T -93.88* 21.00 -87.63 139.68* 21.00 132.31 -60.00* 0.85 -53.66 180.00 -179.76
114 L -103.44* 11.00 -97.55 154.29* 11.00 151.14 -60.00* 0.85 -54.65 180.00 169.50
115 I -141.21* 11.00 -141.38 151.99* 11.00 155.49 60.00* 0.85 37.54 180.00 -174.18
116 A -141.31* 11.00 -144.64 158.14* 11.00 163.88 NONE 0.00 NONE 180.00 173.95
117 G -154.00* 11.00 -166.41 166.61* 11.00 169.75 NONE 0.00 NONE 180.00 173.41
118 G -164.12* 11.00 -167.79 150.32* 11.00 158.84 NONE 0.00 NONE 180.00 178.73
119 Y -121.18* 11.00 -122.52 130.81* 11.00 130.97 180.00* 0.85 168.74 180.00 168.81
120 S 62.92* 11.00 63.62 -121.33* 11.00 -125.06 180.00* 0.85 -166.45 180.00 173.36
121 Q -58.41* 5.50 -53.87 -35.78* 5.50 -36.27 180.00* 0.85 -179.79 180.00 178.34
122 G -59.97* 5.50 -63.49 -31.27* 5.50 -28.38 NONE 0.00 NONE 180.00 172.83
123 A -70.89* 5.50 -68.66 -43.90* 5.50 -42.92 NONE 0.00 NONE 180.00 172.61
124 A -67.03* 5.50 -59.67 -36.05* 5.50 -42.30 NONE 0.00 NONE 180.00 178.91
125 L -64.80* 5.50 -63.69 -42.13* 5.50 -44.66 180.00* 0.85 174.98 180.00 176.10
126 A -61.95* 5.50 -59.31 -47.08* 5.50 -45.80 NONE 0.00 NONE 180.00 -178.67
127 A -65.73* 5.50 -62.39 -40.50* 5.50 -44.85 NONE 0.00 NONE 180.00 -178.23
128 A -63.72* 5.50 -65.81 -42.49* 5.50 -42.35 NONE 0.00 NONE 180.00 -179.37
129 S -62.69* 5.50 -64.97 -45.54* 5.50 -43.84 -60.00* 0.85 -57.59 180.00 179.09
130 I -69.14* 5.50 -64.93 -33.58* 5.50 -38.25 -60.00* 0.85 -68.60 180.00 175.37
131 E -62.14* 5.50 -57.24 -39.96* 5.50 -42.76 180.00* 0.85 175.27 180.00 -173.23
132 D -86.94* 5.50 -84.73 -11.37* 5.50 -15.49 -60.00* 0.85 -69.63 180.00 -174.44
133 L -61.83* 11.00 -64.75 151.32* 11.00 144.54 -60.00* 0.85 -148.89 180.00 168.79
134 D -65.43* 11.00 -54.31 126.49* 11.00 135.58 180.00* 0.85 -177.97 180.00 -174.88
135 S -37.01* 5.50 -56.68 -42.73* 5.50 -35.32 180.00* 0.85 74.64 180.00 177.86
136 A -70.17* 5.50 -64.54 -29.04* 5.50 -31.51 NONE 0.00 NONE 180.00 175.84
137 I -83.01* 5.50 -81.26 -44.09* 5.50 -44.47 -60.00* 0.85 -54.47 180.00 178.04
138 R -51.80* 5.50 -53.59 -41.26* 5.50 -40.91 180.00* 0.85 178.35 180.00 -176.89
139 D -68.98* 5.50 -68.91 -7.94* 5.50 -11.32 -60.00* 0.85 -71.73 180.00 175.26
140 K -90.90* 15.50 -87.30 -10.76* 15.50 -8.13 -60.00* 0.85 -62.39 180.00 -178.44
141 I -83.09* 21.00 -86.01 107.19* 21.00 100.20 -60.00* 0.85 -51.12 180.00 -172.23
142 A -81.62* 21.00 -69.70 -14.62* 21.00 -27.20 NONE 0.00 NONE 180.00 179.17
143 G -164.61* 11.00 -164.59 139.24* 11.00 150.95 NONE 0.00 NONE 180.00 178.45
144 T -129.78* 11.00 -136.00 133.16* 11.00 132.67 -60.00* 0.85 -59.19 180.00 174.66
145 V -118.06* 11.00 -112.33 134.98* 11.00 135.44 -60.00* 0.85 -67.32 180.00 -179.81
146 L -126.72* 11.00 -126.32 126.25* 11.00 126.39 -60.00* 0.85 -56.92 180.00 177.63
147 F -109.23* 11.00 -111.54 133.33* 11.00 134.91 -60.00* 0.85 -53.21 180.00 175.37
148 G 53.72* 11.00 55.83 46.72* 11.00 49.76 NONE 0.00 NONE 180.00 -170.24
149 Y -64.56* 11.00 -72.43 107.11* 11.00 107.96 180.00* 0.85 179.07 180.00 -172.12
150 T -63.28* 5.50 -70.41 -19.39* 5.50 -14.64 60.00* 0.85 59.86 180.00 175.35
151 K -108.58* 11.00 -109.13 28.79* 11.00 20.79 -60.00* 0.85 -63.20 180.00 -178.55
152 N -60.44* 5.50 -58.12 -55.30* 5.50 -51.10 180.00* 0.85 -176.72 180.00 -179.90
153 L -69.14* 5.50 -65.98 -41.45* 5.50 -47.60 180.00* 0.85 -177.84 180.00 -174.46
154 Q -59.64* 5.50 -60.90 -41.33* 5.50 -39.26 -60.00* 0.85 -59.28 180.00 -178.51
155 N -96.62* 21.00 -99.48 8.04* 21.00 9.79 -60.00* 0.85 -75.11 180.00 176.01
156 R 53.87* 21.00 55.27 41.55* 21.00 37.36 -60.00* 0.85 -63.41 180.00 174.01
157 G 73.35* 21.00 80.52 12.10* 21.00 10.63 NONE 0.00 NONE 180.00 -175.35
158 R -116.45* 21.00 -116.77 159.34* 21.00 165.67 -60.00* 0.85 -64.49 180.00 162.51
159 I -96.95* 21.00 -101.99 127.02* 21.00 122.89 -60.00* 0.85 -60.66 180.00 177.65
160 P -55.47* 21.00 -54.89 134.59* 21.00 136.31 -31.56* 0.85 -29.58 180.00 177.36
161 N 65.79* 21.00 74.46 24.76* 21.00 10.06 -60.00* 0.85 -56.63 180.00 -171.90
162 Y -139.82* 11.00 -130.14 134.35* 11.00 136.32 180.00* 0.85 -170.86 180.00 -170.32
163 P -61.86* 11.00 -68.76 144.83* 11.00 145.66 22.91* 0.85 2.76 180.00 178.33
164 A -62.89* 5.50 -63.88 -33.87* 5.50 -34.17 NONE 0.00 NONE 180.00 -176.48
165 D -67.57* 21.00 -66.78 -18.42* 21.00 -20.99 60.00* 0.85 62.31 180.00 179.24
166 R -98.88* 21.00 -96.29 2.77* 21.00 3.23 -60.00* 0.85 -66.89 180.00 -174.17
167 T -111.23* 21.00 -113.12 139.68* 21.00 136.34 -60.00* 0.85 -53.03 180.00 171.30
168 K -134.84* 21.00 -133.11 130.98* 21.00 120.30 180.00* 0.85 -166.42 180.00 178.47
169 V -119.72* 21.00 -105.33 133.17* 21.00 131.85 180.00* 0.85 176.62 180.00 172.44
170 F -111.43* 21.00 -111.41 107.65* 21.00 107.67 -60.00* 0.85 -63.05 180.00 -179.08
171 C -131.98* 21.00 -131.92 111.50* 21.00 108.78 -60.00* 0.85 -96.72 180.00 -177.25
172 N -68.48* 21.00 -73.38 146.93* 21.00 148.27 -60.00* 0.85 -75.85 180.00 169.53
173 T -61.60* 21.00 -61.24 128.26* 21.00 133.08 -60.00* 0.85 -55.76 180.00 -176.97
174 G 91.49* 31.00 84.08 3.18* 31.00 -1.41 NONE 0.00 NONE 180.00 171.36
175 D -90.04* 31.00 -83.03 103.48* 31.00 98.55 180.00* 0.85 -175.31 180.00 -172.25
176 L -65.72* 31.00 -61.95 -23.12* 31.00 -22.39 -60.00* 0.85 -55.94 180.00 178.68
177 V -65.40* 21.00 -69.06 -23.82* 21.00 -19.95 -60.00* 0.85 -46.29 180.00 179.93
178 C -77.90* 21.00 -82.43 -18.93* 21.00 -12.22 -60.00* 0.85 -67.76 180.00 -178.09
179 T -108.12* 21.00 -117.10 25.02* 21.00 24.61 -60.00* 0.85 57.33 180.00 169.27
180 G 89.98* 21.00 97.12 12.84* 21.00 4.45 NONE 0.00 NONE 180.00 179.29
181 S -111.44* 21.00 -102.87 170.89* 21.00 172.65 180.00* 0.85 177.87 180.00 168.82
182 L -118.22* 21.00 -114.27 16.85* 21.00 14.37 -60.00* 0.85 -69.33 180.00 179.38
183 I -75.94* 21.00 -83.46 133.80* 21.00 135.70 -60.00* 0.85 -60.77 180.00 -179.48
184 V -94.16* 21.00 -96.65 117.73* 21.00 113.63 180.00* 0.85 176.81 180.00 178.19
185 A -116.86* 11.00 -115.32 167.44* 11.00 167.45 NONE 0.00 NONE 180.00 -176.44
186 A -53.40* 5.50 -50.50 -46.06* 5.50 -41.87 NONE 0.00 NONE 180.00 -178.68
187 P -48.98* 5.50 -62.19 -26.58* 5.50 -20.56 -30.14* 0.85 -26.55 180.00 177.56
188 H -66.76* 5.50 -66.81 -21.23* 5.50 -21.77 180.00* 0.85 -167.77 180.00 -176.31
189 L -98.47* 5.50 -101.24 8.21* 5.50 14.28 -60.00* 0.85 -53.40 180.00 -170.65
190 A -118.18* 11.00 -117.61 48.48* 11.00 37.37 NONE 0.00 NONE 180.00 178.96
191 Y -100.38* 5.50 -98.76 -5.09* 5.50 3.58 -60.00* 0.85 -66.20 180.00 179.48
192 G -46.08* 5.50 -50.57 -51.96* 5.50 -51.04 NONE 0.00 NONE 180.00 -179.24
193 P -53.19* 5.50 -60.36 -46.20* 5.50 -36.06 -31.18* 0.85 -27.20 180.00 178.04
194 D -62.08* 5.50 -64.26 -49.07* 5.50 -41.21 -60.00* 0.85 -66.59 180.00 179.93
195 A -58.08* 15.50 -66.70 -25.57* 15.50 -28.54 NONE 0.00 NONE 180.00 179.09
196 R -88.68* 21.00 -80.41 -20.40* 21.00 -25.35 -60.00* 0.85 -68.70 180.00 -169.93
197 G -133.19* 21.00 -128.44 -77.78* 21.00 -84.57 NONE 0.00 NONE 180.00 -170.05
198 P -53.17* 15.50 -62.04 -45.68* 15.50 -34.98 -33.92* 0.85 7.34 180.00 179.33
199 A -66.97* 5.50 -64.30 -52.34* 5.50 -55.68 NONE 0.00 NONE 180.00 175.58
200 P -59.35* 5.50 -61.42 -40.06* 5.50 -35.51 24.80* 0.85 17.92 180.00 178.02
201 E -54.89* 5.50 -53.82 -48.47* 5.50 -48.44 180.00* 0.85 -177.37 180.00 179.95
202 F -55.76* 5.50 -61.46 -52.62* 5.50 -47.16 180.00* 0.85 175.38 180.00 -178.52
203 L -59.53* 5.50 -61.99 -40.53* 5.50 -42.29 -60.00* 0.85 -66.87 180.00 179.29
204 I -66.76* 5.50 -62.37 -39.07* 5.50 -45.10 -60.00* 0.85 -67.09 180.00 179.32
205 E -65.21* 5.50 -59.59 -45.21* 5.50 -42.73 180.00* 0.85 177.95 180.00 -177.03
206 K -67.92* 5.50 -71.47 -42.00* 5.50 -32.48 -60.00* 0.85 -67.82 180.00 172.67
207 V -61.85* 5.50 -67.82 -44.36* 5.50 -46.54 180.00* 0.85 170.21 180.00 178.72
208 R -69.31* 5.50 -63.63 -33.51* 5.50 -29.43 -60.00* 0.85 -67.89 180.00 178.50
209 A -61.22* 5.50 -59.60 -38.34* 5.50 -38.41 NONE 0.00 NONE 180.00 -178.30
210 V -93.54* 21.00 -96.09 -30.64* 21.00 -29.42 -60.00* 0.85 -59.44 180.00 -178.95
211 R 105.46* 21.00 -93.19 -10.39* 21.00 -20.81 -60.00* 0.85 -61.98 180.00 -174.29
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .