Comparison of PREDITOR
predictions with PDB-derived angles for Cyclophilin A (Human) .
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 2CPL.
PDB Homologue: 1M9E; BLAST E value= 1e-85; %Seq Identity= 98.77
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 M NONE 40.00 NONE NONE 42.00 -32.06 NONE 0.00 -165.73 180.00 173.32
3 N NONE 31.00 -73.91 143.62* 31.00 132.68 -60.00* 0.85 -88.49 180.00 177.66
4 P -57.49* 21.00 -61.10 142.74* 21.00 141.93 -21.20* 0.85 -13.49 180.00 169.66
5 T -116.58* 11.00 -109.64 126.67* 11.00 128.30 -60.00* 0.85 -58.21 180.00 173.16
6 V -118.07* 11.00 -118.10 150.53* 11.00 158.40 180.00* 0.85 -63.70 180.00 -179.89
7 F -123.86* 11.00 -127.57 156.90* 11.00 157.07 60.00* 0.85 72.59 180.00 173.41
8 F -123.85* 11.00 -130.88 128.93* 11.00 131.74 -60.00* 0.85 -75.67 180.00 168.16
9 D -93.53* 11.00 -99.55 112.60* 11.00 116.65 -60.00* 0.85 -76.17 180.00 -178.96
10 I -98.07* 11.00 -89.24 144.39* 11.00 139.76 -60.00* 0.85 -51.02 180.00 173.28
11 A -131.84* 11.00 -128.10 157.47* 11.00 145.83 NONE 0.00 NONE 180.00 177.29
12 V -124.67* 11.00 -115.54 108.80* 11.00 115.39 180.00* 0.85 -179.93 180.00 -172.60
13 D 54.14* 11.00 43.00 35.63* 11.00 51.06 -60.00* 0.85 -79.17 180.00 178.82
14 G 83.74* 11.00 83.76 -3.89* 11.00 -25.69 NONE 0.00 NONE 180.00 -178.84
15 E -94.96* 21.00 -85.98 145.22* 21.00 127.97 -60.00* 0.85 -74.06 180.00 -173.85
16 P -57.73* 31.00 -59.43 144.04* 31.00 135.98 -26.01* 0.85 17.35 180.00 179.37
17 L -113.25* 31.00 -105.38 -53.71* 31.00 -56.68 180.00* 0.85 173.12 180.00 -179.39
18 G 161.02* 31.00 169.54 179.86* 31.00 -171.96 NONE 0.00 NONE 180.00 -177.07
19 R -99.76* 21.00 -116.26 139.18* 21.00 139.36 180.00* 0.85 176.84 180.00 176.90
20 V -124.42* 11.00 -123.69 138.32* 11.00 129.40 180.00* 0.85 -172.87 180.00 171.98
21 S -121.02* 11.00 -115.63 159.34* 11.00 161.96 60.00* 0.85 61.81 180.00 -171.43
22 F -135.31* 11.00 -140.24 134.25* 11.00 134.89 -60.00* 0.85 -49.25 180.00 166.87
23 E -86.47* 11.00 -85.82 124.46* 11.00 130.39 180.00* 0.85 -178.00 180.00 178.82
24 L -96.14* 11.00 -105.59 137.13* 11.00 126.71 -60.00* 0.85 -56.72 180.00 -176.24
25 F -93.85* 11.00 -80.45 72.22* 11.00 65.12 -60.00* 0.85 -58.21 180.00 -179.58
26 A -58.53* 5.50 -60.95 -19.29* 5.50 -25.73 NONE 0.00 NONE 180.00 176.54
27 D -73.12* 5.50 -68.71 -39.02* 5.50 -34.19 60.00* 0.85 59.58 180.00 178.30
28 K -103.69* 5.50 -102.81 -37.23* 5.50 -31.86 -60.00* 0.85 -77.05 180.00 179.10
29 V -138.33* 11.00 -132.66 71.11* 11.00 66.57 -60.00* 0.85 -80.81 180.00 -178.22
30 P -59.48* 5.50 -55.15 -44.65* 5.50 -46.05 3.30* 0.85 26.83 180.00 -178.98
31 K -67.05* 5.50 -66.37 -37.34* 5.50 -36.95 180.00* 0.85 -169.48 180.00 -179.35
32 T -70.46* 5.50 -74.64 -38.30* 5.50 -39.37 -60.00* 0.85 -55.23 180.00 179.17
33 A -68.24* 5.50 -65.97 -40.94* 5.50 -40.95 NONE 0.00 NONE 180.00 178.86
34 E -62.25* 5.50 -63.49 -40.68* 5.50 -40.59 180.00* 0.85 -177.86 180.00 175.31
35 N -51.83* 5.50 -58.24 -59.76* 5.50 -51.10 180.00* 0.85 -180.00 180.00 179.98
36 F -59.62* 5.50 -63.02 -41.38* 5.50 -44.34 180.00* 0.85 -166.86 180.00 179.04
37 R -57.12* 5.50 -57.50 -50.89* 5.50 -51.10 180.00* 0.85 -167.54 180.00 -178.25
38 A -67.17* 5.50 -65.47 -35.24* 5.50 -35.79 NONE 0.00 NONE 180.00 178.78
39 L -68.87* 5.50 -73.22 -28.43* 5.50 -23.62 -60.00* 0.85 -68.17 180.00 177.39
40 S -77.00* 5.50 -77.36 -35.50* 5.50 -34.09 -60.00* 0.85 -67.20 180.00 178.21
41 T -83.00* 15.50 -86.32 -22.87* 15.50 -20.22 60.00* 0.85 64.10 180.00 -179.27
42 G 93.54* 21.00 74.14 3.94* 21.00 8.26 NONE 0.00 NONE 180.00 -176.22
43 E -73.05* 21.00 -60.53 -13.35* 21.00 -16.55 60.00* 0.85 69.91 180.00 176.19
45 G 94.12* 11.00 103.50 -1.35* 11.00 -2.29 NONE 0.00 NONE 180.00 175.28
46 F -153.49* 21.00 -151.72 164.01* 21.00 164.00 60.00* 0.85 52.90 180.00 -176.95
47 G 148.02* 21.00 165.65 -154.43* 21.00 -166.49 NONE 0.00 NONE 180.00 -171.86
48 Y -77.62* 31.00 -77.43 -28.03* 31.00 -16.98 -60.00* 0.85 -63.77 180.00 -174.81
49 K -53.59* 31.00 -62.74 124.82* 31.00 122.60 180.00* 0.85 -170.78 180.00 -179.66
50 G 90.67* 31.00 90.60 -8.54* 31.00 -5.79 NONE 0.00 NONE 180.00 -177.94
51 S -77.86* 31.00 -81.41 172.88* 31.00 160.45 60.00* 0.85 64.07 180.00 -178.04
52 C -124.69* 21.00 -105.69 154.36* 21.00 165.87 60.00* 0.85 76.97 180.00 171.42
53 F -86.48* 21.00 -95.35 98.43* 21.00 107.25 -60.00* 0.85 -83.27 180.00 -174.56
54 H -89.23* 21.00 -85.45 -14.14* 21.00 -15.26 60.00* 0.85 65.73 180.00 -176.58
55 R -138.52* 21.00 -139.19 115.20* 21.00 113.44 180.00* 0.85 -164.99 180.00 177.40
56 I -128.28* 21.00 -131.47 121.47* 21.00 120.16 -60.00* 0.85 -58.32 180.00 -178.89
57 I -124.22* 21.00 -119.82 108.79* 21.00 107.78 -60.00* 0.85 -59.18 180.00 -177.99
58 P -57.56* 31.00 -56.95 133.10* 31.00 133.63 -27.91* 0.85 -24.39 180.00 -179.08
59 G 93.26* 31.00 82.61 -2.02* 31.00 6.98 NONE 0.00 NONE 180.00 178.42
60 F -138.71* 31.00 -135.48 -70.11* 31.00 -71.22 180.00* 0.85 178.22 180.00 -179.68
61 M -167.12* 21.00 -168.17 162.78* 21.00 166.98 60.00* 0.85 53.64 180.00 176.46
62 C -107.33* 21.00 -115.64 124.86* 21.00 124.17 -60.00* 0.85 -65.27 180.00 -179.04
63 Q -112.27* 21.00 -117.94 136.53* 21.00 134.37 180.00* 0.85 -172.35 180.00 174.32
64 G -144.18* 21.00 -146.50 -160.55* 21.00 -161.39 NONE 0.00 NONE 180.00 174.00
65 G 90.62* 21.00 101.17 -1.39* 21.00 -2.59 NONE 0.00 NONE 180.00 176.34
66 D -87.22* 21.00 -91.48 77.29* 21.00 90.04 180.00* 0.85 178.75 180.00 -176.58
67 F -77.89* 21.00 -89.34 -2.01* 21.00 1.69 60.00* 0.85 53.51 180.00 -179.04
68 T -107.35* 21.00 -111.33 -30.46* 21.00 -26.45 60.00* 0.85 65.11 180.00 -179.54
69 R -127.67* 21.00 -128.86 -19.42* 21.00 -7.74 -60.00* 0.85 -58.66 180.00 170.75
70 H 66.92* 21.00 59.28 27.79* 21.00 23.58 -60.00* 0.85 -34.57 180.00 -176.23
71 N -158.29* 31.00 -147.90 15.96* 31.00 9.87 60.00* 0.85 66.40 180.00 -179.94
72 G 99.94* 31.00 102.57 -8.45* 31.00 -13.00 NONE 0.00 NONE 180.00 -178.41
73 T -100.07* 41.00 -100.01 -1.62* 41.00 -2.99 60.00* 0.85 68.01 180.00 -178.54
74 G -120.13* 41.00 -123.18 -155.50* 41.00 -153.19 NONE 0.00 NONE 180.00 -179.48
75 G 102.04* 31.00 98.08 156.05* 31.00 165.42 NONE 0.00 NONE 180.00 177.10
76 K -159.11* 21.00 -163.07 150.75* 21.00 155.47 60.00* 0.85 60.64 180.00 179.66
77 S -88.39* 21.00 -90.38 169.65* 21.00 173.28 60.00* 0.85 77.95 180.00 175.19
78 I -76.26* 5.50 -74.60 -1.90* 5.50 -10.31 60.00* 0.85 61.61 180.00 -178.73
79 Y -100.03* 5.50 -98.60 -25.66* 5.50 0.54 -60.00* 0.85 -51.31 180.00 -175.95
80 G 151.85* 11.00 126.14 -174.08* 11.00 -173.52 NONE 0.00 NONE 180.00 178.70
81 E -61.02* 5.50 -47.87 -44.81* 5.50 -54.71 -60.00* 0.85 -94.34 180.00 -179.23
82 K -147.70* 11.00 -134.31 161.59* 11.00 159.10 -60.00* 0.85 68.00 180.00 171.45
83 F -131.08* 11.00 -143.53 156.31* 11.00 163.15 60.00* 0.85 65.76 180.00 -174.79
84 E -69.43* 11.00 -66.26 159.36* 11.00 158.66 60.00* 0.85 74.75 180.00 169.50
85 D -74.94* 11.00 -70.20 120.57* 11.00 118.27 -60.00* 0.85 -67.82 180.00 -171.44
86 E -67.21* 5.50 -74.15 -55.85* 5.50 -49.12 180.00* 0.85 -173.38 180.00 173.50
87 N -169.09* 11.00 -169.71 170.27* 11.00 174.86 60.00* 0.85 63.51 180.00 177.92
88 F -118.37* 11.00 -125.67 33.30* 11.00 37.94 -60.00* 0.85 -65.01 180.00 177.50
89 I -55.97* 5.50 -57.44 -51.99* 5.50 -46.80 -60.00* 0.85 -68.38 180.00 -176.16
90 L -82.69* 11.00 -90.60 149.74* 11.00 144.59 -60.00* 0.85 -53.52 180.00 -177.13
91 K -118.23* 11.00 -107.71 169.43* 11.00 167.00 -60.00* 0.85 -51.74 180.00 179.59
92 H -86.95* 21.00 -94.33 75.65* 21.00 82.03 -60.00* 0.85 -60.83 180.00 -171.86
93 T -89.14* 21.00 -89.50 -2.21* 21.00 -9.52 60.00* 0.85 62.61 180.00 176.74
94 G 149.66* 31.00 168.35 -161.92* 31.00 -171.64 NONE 0.00 NONE 180.00 174.47
95 P -65.40* 41.00 -55.61 141.57* 41.00 148.04 -9.42* 0.85 -21.76 180.00 178.74
96 G 91.70* 31.00 94.64 -11.22* 31.00 -15.59 NONE 0.00 NONE 180.00 179.00
97 I -57.55* 31.00 -68.88 136.12* 31.00 136.00 -60.00* 0.85 -73.33 180.00 177.39
98 L -115.15* 21.00 -106.50 124.66* 21.00 123.17 180.00* 0.85 -164.17 180.00 -172.74
99 S -137.97* 11.00 -139.96 165.88* 11.00 149.81 180.00* 0.85 -174.12 180.00 179.29
100 M -84.75* 21.00 -77.99 128.70* 21.00 128.69 -60.00* 0.85 -67.19 180.00 169.78
101 A -73.06* 21.00 -75.42 147.91* 21.00 152.02 NONE 0.00 NONE 180.00 176.22
102 N -157.50* 21.00 -155.03 -178.51* 21.00 176.60 60.00* 0.85 58.40 180.00 -179.30
103 A -118.57* 21.00 -119.69 39.93* 21.00 20.71 NONE 0.00 NONE 180.00 -176.90
104 G 116.93* 21.00 145.30 169.94* 21.00 177.30 NONE 0.00 NONE 180.00 176.81
105 P -59.17* 31.00 -60.32 150.58* 31.00 138.19 -28.68* 0.85 21.05 180.00 173.42
106 N 51.66* 21.00 60.39 39.61* 21.00 42.13 -60.00* 0.85 -58.53 180.00 -178.54
107 T -128.91* 21.00 -128.04 41.09* 21.00 36.26 60.00* 0.85 60.51 180.00 176.58
108 N -71.06* 21.00 -72.72 128.08* 21.00 131.11 -60.00* 0.85 -61.79 180.00 173.69
109 G -126.27* 31.00 -118.46 -107.78* 31.00 -104.61 NONE 0.00 NONE 180.00 -179.92
110 S -119.88* 21.00 -123.30 -14.44* 21.00 -17.28 60.00* 0.85 60.59 180.00 -178.03
111 Q -70.43* 21.00 -74.33 144.85* 21.00 143.12 -60.00* 0.85 -67.79 180.00 -174.95
112 F -151.81* 11.00 -145.41 168.37* 11.00 167.83 60.00* 0.85 59.34 180.00 170.11
113 F -144.45* 11.00 -139.35 158.92* 11.00 152.76 60.00* 0.85 53.41 180.00 176.99
114 I -121.11* 11.00 -105.80 112.12* 11.00 114.52 -60.00* 0.85 -55.53 180.00 176.84
115 C -65.25* 21.00 -71.67 146.43* 21.00 134.70 -60.00* 0.85 -59.18 180.00 173.52
116 T -124.84* 21.00 -111.45 12.88* 21.00 15.02 60.00* 0.85 56.39 180.00 179.31
117 A -166.34* 21.00 -154.72 171.80* 21.00 166.78 NONE 0.00 NONE 180.00 171.51
118 K -71.84* 11.00 -73.22 131.59* 11.00 124.37 -60.00* 0.85 -169.44 180.00 -176.56
119 T -129.55* 11.00 -124.96 60.97* 11.00 62.38 60.00* 0.85 62.67 180.00 -172.45
120 E -55.94* 5.50 -57.44 -30.26* 5.50 -28.76 -60.00* 0.85 66.72 180.00 179.10
121 W -67.77* 5.50 -66.72 -8.36* 5.50 -12.50 60.00* 0.85 61.46 180.00 176.03
122 L -90.01* 15.50 -87.80 -8.34* 15.50 -9.20 -60.00* 0.85 -59.86 180.00 179.31
123 D -67.49* 21.00 -59.05 142.73* 21.00 131.66 -60.00* 0.85 -66.14 180.00 -179.45
124 G 77.54* 31.00 82.31 -2.28* 31.00 -2.21 NONE 0.00 NONE 180.00 179.26
125 K -118.98* 41.00 -113.91 -30.28* 41.00 -33.60 -60.00* 0.85 -61.58 180.00 -179.08
126 H -121.84* 41.00 -121.58 140.24* 41.00 133.39 -60.00* 0.85 -63.34 180.00 -175.67
127 V -81.54* 31.00 -82.48 113.86* 31.00 116.25 180.00* 0.85 176.61 180.00 177.03
128 V -80.11* 21.00 -81.63 129.20* 21.00 133.44 180.00* 0.85 172.19 180.00 -175.08
129 F -135.55* 5.50 -141.51 -3.91* 5.50 0.84 60.00* 0.85 67.07 180.00 178.80
130 G -161.49* 11.00 -169.31 -175.80* 11.00 179.78 NONE 0.00 NONE 180.00 173.95
131 K -154.87* 21.00 -152.36 146.99* 21.00 152.95 180.00* 0.85 63.59 180.00 173.36
132 V -56.89* 21.00 -61.24 129.30* 21.00 124.70 180.00* 0.85 176.54 180.00 177.15
133 K -95.59* 31.00 -97.39 -57.75* 31.00 -53.72 180.00* 0.85 -170.14 180.00 175.16
134 E -127.75* 31.00 -125.61 155.24* 31.00 148.74 -60.00* 0.85 -57.69 180.00 173.53
135 G 98.87* 31.00 89.14 16.08* 31.00 29.07 NONE 0.00 NONE 180.00 176.58
136 M -64.69* 31.00 -61.52 -26.70* 31.00 -30.78 180.00* 0.85 -167.12 180.00 176.31
137 N -56.58* 15.50 -63.24 -37.94* 15.50 -30.70 60.00* 0.85 61.20 180.00 176.24
138 I -58.83* 5.50 -71.96 -45.07* 5.50 -38.95 -60.00* 0.85 -61.21 180.00 175.07
139 V -70.45* 5.50 -63.58 -41.36* 5.50 -43.14 180.00* 0.85 175.86 180.00 175.31
140 E -55.45* 5.50 -60.17 -44.11* 5.50 -37.75 -60.00* 0.85 -66.95 180.00 173.06
141 A -64.79* 5.50 -63.61 -35.73* 5.50 -38.85 NONE 0.00 NONE 180.00 177.32
142 M -56.24* 5.50 -62.04 -34.46* 5.50 -39.79 -60.00* 0.85 -73.15 180.00 -179.59
143 E -56.72* 5.50 -58.47 -29.20* 5.50 -29.47 -60.00* 0.85 -59.08 180.00 -176.66
144 R -74.90* 5.50 -75.54 -9.50* 5.50 -7.34 -60.00* 0.85 -58.66 180.00 170.76
145 F -101.02* 31.00 -93.71 -0.23* 31.00 -0.78 -60.00* 0.85 -63.95 180.00 177.65
146 G -82.64* 31.00 -88.99 177.73* 31.00 -174.82 NONE 0.00 NONE 180.00 177.79
147 S -152.71* 31.00 -152.29 168.38* 31.00 168.92 60.00* 0.85 58.91 180.00 178.14
148 R -50.28* 21.00 -52.66 -46.27* 21.00 -42.16 180.00* 0.85 -72.55 180.00 175.64
149 N -91.31* 31.00 -87.78 -1.16* 31.00 -0.10 60.00* 0.85 61.55 180.00 170.95
150 G 100.13* 31.00 100.44 -15.04* 31.00 -12.50 NONE 0.00 NONE 180.00 178.62
151 K -66.38* 31.00 -69.14 129.86* 31.00 135.22 180.00* 0.85 147.47 180.00 -178.25
152 T -89.71* 31.00 -92.93 148.64* 31.00 139.41 60.00* 0.85 59.95 180.00 179.84
153 S -99.64* 31.00 -73.33 -14.43* 31.00 -29.65 60.00* 0.85 57.26 180.00 174.53
154 K -132.83* 31.00 -126.73 157.64* 31.00 161.56 -60.00* 0.85 -70.79 180.00 -179.88
155 K -76.88* 31.00 -76.96 120.86* 31.00 120.35 180.00* 0.85 -170.49 180.00 -177.02
156 I -109.36* 11.00 -106.43 116.33* 11.00 115.89 -60.00* 0.85 -51.75 180.00 -179.10
157 T -128.70* 21.00 -127.30 156.95* 21.00 159.90 60.00* 0.85 61.30 180.00 175.78
158 I -94.80* 31.00 -91.23 92.19* 31.00 91.30 -60.00* 0.85 -56.45 180.00 178.25
159 A -72.89* 31.00 -60.54 -28.57* 31.00 -35.65 NONE 0.00 NONE 180.00 177.49
160 D -155.54* 41.00 -154.39 157.83* 41.00 158.91 180.00* 0.85 -162.92 180.00 179.58
161 C -160.00* 41.00 -162.29 154.56* 41.00 157.83 60.00* 0.85 48.74 180.00 175.54
162 G 178.48* 41.00 175.54 -161.02* 41.00 -163.99 NONE 0.00 NONE 180.00 -179.03
163 Q -109.36* 41.00 -102.90 128.50* 41.00 130.61 180.00* 0.85 -169.68 180.00 174.79
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .