Comparison of PREDITOR
predictions with PDB-derived angles for FK506 Binding Protein (Human) .
Chemical shifts were obtained from 4077,
Reference structure is 1BKF.
PDB Homologue: 1BL4; BLAST E value= 4e-57; %Seq Identity= 99.07
Res# AA φpred Error φexp ψpred Error ψexp χ1pred Conf χ1exp ωpred ωexp
1 G NONE 31.00 NONE -160.61* 31.00 18.92 NONE 0.00 NONE 180.00 176.60
2 V -119.88* 31.00 -137.21 122.72* 31.00 139.06 60.00* 0.85 66.56 180.00 171.16
3 Q -106.18* 21.00 -109.64 134.46* 21.00 139.84 -60.00* 0.85 -70.75 180.00 -176.58
4 V -112.84* 21.00 -123.22 123.27* 21.00 119.61 180.00* 0.85 -177.86 180.00 173.95
5 E -118.63* 11.00 -114.50 119.93* 11.00 133.11 180.00* 0.85 -73.81 180.00 -175.61
6 T -77.62* 11.00 -94.30 132.22* 11.00 131.07 -60.00* 0.85 -62.14 180.00 172.07
7 I -104.13* 5.50 -89.13 -35.65* 5.50 -47.90 -60.00* 0.85 -60.66 180.00 -177.02
8 S -147.13* 11.00 -137.30 135.75* 11.00 133.79 180.00* 0.85 -79.42 180.00 -172.59
9 P -73.20* 21.00 -69.68 149.72* 21.00 153.93 35.40* 0.85 30.69 180.00 171.26
10 G -97.05* 31.00 -93.24 -160.05* 31.00 -157.50 NONE 0.00 NONE 180.00 179.96
11 D -82.91* 31.00 -80.24 -4.25* 31.00 -8.90 60.00* 0.85 66.79 180.00 178.13
12 G 62.63* 31.00 73.19 16.64* 31.00 18.20 NONE 0.00 NONE 180.00 -167.72
13 R -140.17* 31.00 -141.80 -36.14* 31.00 -43.58 60.00* 0.85 -123.87 180.00 -176.72
14 T -91.59* 31.00 -100.79 101.21* 31.00 96.78 -60.00* 0.85 -47.83 180.00 178.50
15 F -110.80* 21.00 -108.14 143.37* 21.00 143.22 -60.00* 0.85 -60.84 180.00 172.54
16 P -58.81* 11.00 -44.21 130.66* 11.00 131.40 -21.57* 0.85 -29.06 180.00 179.42
17 K -102.02* 11.00 -110.78 146.71* 11.00 157.40 -60.00* 0.85 -57.46 180.00 -178.31
18 R -57.79* 21.00 -62.48 131.62* 21.00 138.73 -60.00* 0.85 -130.53 180.00 -174.49
19 G 103.03* 31.00 71.51 -9.68* 31.00 15.40 NONE 0.00 NONE 180.00 163.70
20 Q -99.73* 31.00 -96.05 152.84* 31.00 161.84 -60.00* 0.85 -56.98 180.00 171.28
21 T -91.75* 31.00 -87.59 127.93* 31.00 125.12 -60.00* 0.85 -63.71 180.00 175.79
22 C -100.06* 31.00 -99.38 129.73* 31.00 137.00 -60.00* 0.85 -57.27 180.00 179.09
23 V -108.09* 21.00 -113.65 118.00* 21.00 125.09 180.00* 0.85 179.60 180.00 -178.88
24 V -139.59* 11.00 -136.94 159.30* 11.00 164.68 -60.00* 0.85 -53.35 180.00 159.76
25 H -116.28* 11.00 -109.71 138.83* 11.00 143.36 -60.00* 0.85 -90.08 180.00 176.43
26 Y -146.19* 11.00 -148.15 156.67* 11.00 159.56 60.00* 0.85 67.19 180.00 163.93
27 T -129.02* 21.00 -133.07 123.42* 21.00 133.07 -60.00* 0.85 72.32 180.00 174.89
28 G -105.79* 21.00 -101.11 140.05* 21.00 139.67 NONE 0.00 NONE 180.00 -175.01
29 M -147.85* 21.00 -138.53 159.57* 21.00 153.91 60.00* 0.85 -69.04 180.00 168.14
30 L -76.07* 21.00 -81.17 169.74* 21.00 168.83 -60.00* 0.85 -78.62 180.00 -170.30
31 E -58.52* 15.50 -68.27 -28.10* 15.50 -14.81 180.00* 0.85 -174.69 180.00 172.05
32 D -86.70* 31.00 -90.32 9.55* 31.00 7.27 60.00* 0.85 56.60 180.00 176.45
33 G 89.71* 41.00 100.51 -5.38* 41.00 -10.08 NONE 0.00 NONE 180.00 -176.58
34 K -75.18* 41.00 -64.07 134.27* 41.00 115.71 60.00* 0.85 -177.41 180.00 179.84
35 K -73.98* 41.00 -72.17 131.78* 41.00 133.11 180.00* 0.85 -84.03 180.00 168.67
36 F -103.85* 31.00 -110.39 -36.14* 31.00 -16.54 -60.00* 0.85 55.54 180.00 -177.66
37 D -167.42* 21.00 -158.74 147.73* 21.00 159.67 180.00* 0.85 -171.23 180.00 179.11
38 S -146.41* 11.00 -166.81 133.70* 11.00 119.38 180.00* 0.85 -168.40 180.00 178.31
39 S -72.97* 5.50 -63.01 -20.19* 5.50 -43.77 60.00* 0.85 58.42 180.00 178.33
40 R -67.72* 5.50 -48.62 -13.72* 5.50 -36.35 -60.00* 0.85 -103.88 180.00 -177.92
41 D -93.55* 5.50 -82.66 0.73* 5.50 7.34 -60.00* 0.85 -70.44 180.00 171.84
42 R -116.28* 5.50 -124.18 12.59* 5.50 19.67 -60.00* 0.85 -34.59 180.00 -175.87
43 N 77.42* 11.00 63.61 -10.00* 11.00 -63.37 -60.00* 0.85 -56.36 180.00 178.57
44 K -161.98* 11.00 -36.64 149.89* 11.00 155.53 60.00* 0.85 -118.41 180.00 156.37
45 P -68.71* 11.00 -85.64 155.97* 11.00 152.96 31.25* 0.85 37.53 180.00 174.27
46 F -82.02* 11.00 -92.27 140.96* 11.00 140.51 180.00* 0.85 171.16 180.00 178.01
47 K -132.27* 11.00 -123.12 141.93* 11.00 136.84 -60.00* 0.85 -60.27 180.00 173.54
48 F -156.65* 11.00 -149.72 154.20* 11.00 169.64 60.00* 0.85 69.41 180.00 178.15
49 M -100.44* 21.00 -117.10 128.77* 21.00 142.08 180.00* 0.85 -58.12 180.00 176.01
50 L -70.48* 31.00 -79.50 135.68* 31.00 145.93 180.00* 0.85 -97.74 180.00 175.53
51 G 81.84* 31.00 76.15 17.53* 31.00 28.99 NONE 0.00 NONE 180.00 177.54
52 K -122.25* 31.00 -125.29 17.42* 31.00 16.89 180.00* 0.85 -79.02 180.00 -178.43
53 Q 52.55* 21.00 54.15 35.57* 21.00 28.65 -60.00* 0.85 -73.46 180.00 -177.03
54 E -80.90* 5.50 -94.86 -23.08* 5.50 -17.74 -60.00* 0.85 99.02 180.00 175.39
55 V -129.25* 11.00 -123.61 169.82* 11.00 165.75 -60.00* 0.85 -70.30 180.00 179.21
56 I -59.20* 11.00 -61.79 153.03* 11.00 143.82 60.00* 0.85 48.37 180.00 -172.35
57 R -46.13* 5.50 -57.77 -56.12* 5.50 -34.68 -60.00* 0.85 -171.16 180.00 -175.67
58 G -51.78* 5.50 -64.92 -33.79* 5.50 -36.12 NONE 0.00 NONE 180.00 176.31
59 W -72.81* 5.50 -62.33 -44.97* 5.50 -49.60 -60.00* 0.85 -119.06 180.00 -178.85
60 E -55.59* 5.50 -55.49 -44.12* 5.50 -52.00 -60.00* 0.85 -165.59 180.00 177.82
61 E -77.26* 5.50 -68.26 -39.47* 5.50 -27.84 -60.00* 0.85 -57.29 180.00 -176.77
62 G -72.69* 5.50 -76.47 -47.85* 5.50 -45.96 NONE 0.00 NONE 180.00 -175.70
63 V -64.50* 5.50 -72.15 -30.59* 5.50 -35.11 180.00* 0.85 174.02 180.00 176.53
64 A -64.31* 5.50 -54.96 -17.10* 5.50 -22.89 NONE 0.00 NONE 180.00 -178.27
65 Q -96.16* 15.50 -90.91 2.03* 15.50 4.80 -60.00* 0.85 -67.34 180.00 -171.95
66 M -102.54* 21.00 -108.87 148.92* 21.00 148.94 -60.00* 0.85 -68.79 180.00 173.81
67 S -107.18* 11.00 -107.96 160.44* 11.00 164.80 60.00* 0.85 61.07 180.00 -177.10
68 V -55.57* 21.00 -60.60 127.94* 21.00 130.57 180.00* 0.85 178.34 180.00 -177.57
69 G 98.88* 21.00 94.64 -14.69* 21.00 -8.06 NONE 0.00 NONE 180.00 -177.27
70 Q -73.62* 21.00 -71.49 145.41* 21.00 143.85 180.00* 0.85 -168.72 180.00 171.82
71 R -123.89* 21.00 -116.29 129.49* 21.00 128.26 180.00* 0.85 -166.50 180.00 -173.95
72 A -144.38* 11.00 -146.69 159.77* 11.00 155.49 NONE 0.00 NONE 180.00 174.16
73 K -107.01* 11.00 -98.49 122.41* 11.00 118.15 180.00* 0.85 -171.50 180.00 179.26
74 L -108.18* 11.00 -103.38 123.17* 11.00 121.55 -60.00* 0.85 -85.50 180.00 177.71
75 T -105.71* 21.00 -109.83 114.94* 21.00 125.12 -60.00* 0.85 -65.78 180.00 -171.98
76 I -114.42* 21.00 -118.07 128.16* 21.00 129.29 -60.00* 0.85 -61.00 180.00 177.91
77 S -77.24* 21.00 -62.99 159.31* 21.00 150.14 60.00* 0.85 -52.08 180.00 176.95
78 P -50.39* 21.00 -54.85 -41.10* 21.00 -41.11 -32.03* 0.85 -23.90 180.00 -174.27
79 D -64.81* 21.00 -70.16 -14.97* 21.00 -11.86 60.00* 0.85 -164.64 180.00 176.08
80 Y -107.91* 31.00 -102.54 9.29* 31.00 11.47 -60.00* 0.85 -82.34 180.00 177.15
81 A -133.96* 31.00 -132.88 -106.27* 31.00 -120.91 NONE 0.00 NONE 180.00 -172.38
82 Y -105.72* 31.00 -103.10 7.17* 31.00 10.01 -60.00* 0.85 -62.35 180.00 167.99
83 G 56.08* 31.00 55.40 -154.46* 31.00 -141.50 NONE 0.00 NONE 180.00 -177.98
84 A -65.03* 21.00 -75.59 -32.44* 21.00 -7.62 NONE 0.00 NONE 180.00 -173.35
85 T -83.53* 21.00 -93.11 -33.54* 21.00 -43.95 60.00* 0.85 -55.32 180.00 -172.20
86 G 73.64* 31.00 77.31 -151.53* 31.00 -161.57 NONE 0.00 NONE 180.00 178.61
87 H -142.94* 31.00 -131.84 112.33* 31.00 125.07 180.00* 0.85 171.18 180.00 -166.57
88 P -36.73* 31.00 -55.10 121.04* 31.00 122.55 23.08* 0.85 13.85 180.00 178.39
89 G 81.24* 21.00 77.87 -16.95* 21.00 0.39 NONE 0.00 NONE 180.00 -174.88
90 I -116.60* 5.50 -132.35 -52.89* 5.50 -49.33 -60.00* 0.85 -49.27 180.00 -176.30
91 I -118.51* 11.00 -118.29 118.75* 11.00 124.79 -60.00* 0.85 -58.01 180.00 173.61
92 P -73.95* 11.00 -65.52 166.55* 11.00 162.67 28.09* 0.85 20.16 180.00 160.36
93 P -63.50* 21.00 -46.94 143.98* 21.00 137.84 22.98* 0.85 -25.54 180.00 169.46
94 H 57.59* 21.00 66.04 35.04* 21.00 23.38 -60.00* 0.85 -57.56 180.00 -177.12
95 A -89.55* 21.00 -80.92 126.42* 21.00 133.55 NONE 0.00 NONE 180.00 168.75
96 T -85.38* 11.00 -83.21 133.03* 11.00 136.46 -60.00* 0.85 -69.73 180.00 -176.53
97 L -112.37* 11.00 -112.52 142.19* 11.00 147.22 -60.00* 0.85 -61.52 180.00 178.92
98 V -119.17* 11.00 -122.82 123.60* 11.00 122.14 180.00* 0.85 178.73 180.00 172.36
99 F -117.44* 11.00 -113.07 135.94* 11.00 133.56 -60.00* 0.85 -71.02 180.00 174.46
100 D -99.67* 11.00 -93.88 111.44* 11.00 114.35 180.00* 0.85 -173.05 180.00 -173.53
101 V -123.64* 11.00 -123.42 138.33* 11.00 138.25 180.00* 0.85 179.18 180.00 171.86
102 E -124.31* 11.00 -116.33 120.03* 11.00 123.63 180.00* 0.85 -168.56 180.00 -179.18
103 L -85.54* 11.00 -92.21 108.14* 11.00 113.89 180.00* 0.85 172.68 180.00 -171.39
104 L -81.64* 15.50 -95.00 -43.33* 15.50 -35.96 -60.00* 0.85 -58.65 180.00 -168.52
105 K -169.56* 21.00 -167.60 170.57* 21.00 154.00 60.00* 0.85 174.63 180.00 168.33
106 L -123.75* 21.00 -120.33 144.10* 21.00 135.31 -60.00* 0.85 -64.90 180.00 -174.53
107 E -154.44* 21.00 -129.08 NONE 21.00 NONE 60.00* 0.85 -58.63 180.00 NONE
Have a problem with PREDITOR or a suggestion? Contact
Mark Berjanskii , Steve Neal ,
or David Wishart .