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Comparison of PREDITOR predictions with PDB-derived angles for Thioredoxin - Reduced (Human).
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 1ERT.


PDB Homologue: 1ERU;    BLAST E value= 8e-49;    %Seq Identity= 96.19


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
1MNONE31.00NONE-137.78*31.00172.75-60.00*0.85-142.64180.00-176.54
2V-82.21*31.00-92.03117.16*31.00121.53180.00*0.85178.06180.00-179.29
3K-85.48*21.00-87.77120.82*21.00113.74-60.00*0.85-55.16180.00176.53
4Q-77.91*21.00-73.39113.38*21.00116.74180.00*0.85-171.94180.00-176.11
5I-85.33*11.00-94.99122.24*11.00120.67-60.00*0.85-67.25180.00179.93
6E-121.96*11.00-118.8222.22*11.0023.70-60.00*0.85-66.27180.00169.09
7S-167.31*11.00-168.44162.68*11.00162.4460.00*0.8560.31180.00171.99
8K-64.57*5.50-62.92-39.27*5.50-41.45180.00*0.85-176.56180.00172.69
9T-56.10*5.50-59.53-45.64*5.50-45.46-60.00*0.85-65.56180.00177.54
10A-69.46*5.50-68.03-34.73*5.50-30.96NONE0.00NONE180.00177.39
11F-64.67*5.50-66.17-49.47*5.50-49.50180.00*0.85-170.52180.00176.84
12Q-62.14*5.50-59.11-46.00*5.50-45.61-60.00*0.85-58.06180.00179.61
13E-72.95*5.50-61.49-36.32*5.50-41.88-60.00*0.85-71.48180.00179.07
14A-63.49*5.50-66.45-37.72*5.50-37.54NONE0.00NONE180.00-178.60
15L-69.77*5.50-73.58-24.37*5.50-27.56-60.00*0.85-72.30180.00173.36
16D-80.18*5.50-70.86-41.15*5.50-50.93180.00*0.85-177.20180.00-177.95
17A-74.28*21.00-67.81-21.36*21.00-13.16NONE0.00NONE180.00-178.89
18A-57.35*21.00-68.72-18.97*21.00-22.06NONE0.00NONE180.00-179.35
19G64.86*31.0066.48-118.36*31.00-115.44NONE0.00NONE180.00-177.14
20D-98.35*31.00-92.592.54*31.00-8.8360.00*0.8555.09180.00-170.44
21K-71.52*31.00-82.10155.90*31.00152.95-60.00*0.85-61.80180.00174.06
22L-70.43*31.00-67.07137.95*31.00139.49180.00*0.85179.68180.00174.28
23V-118.16*21.00-118.45128.19*21.00127.03180.00*0.85-172.19180.00177.28
24V-114.08*11.00-109.57129.16*11.00122.60180.00*0.85-173.32180.00178.84
25V-119.52*11.00-111.98131.81*11.00126.84180.00*0.85-173.19180.00172.32
26D-103.69*21.00-99.25111.10*21.00113.86180.00*0.85171.39180.00173.26
27F-91.63*21.00-90.41106.28*21.00115.41-60.00*0.85-72.66180.00-175.02
28S-124.62*11.00-132.96171.04*11.00173.85180.00*0.8557.49180.00179.38
29A-151.02*11.00-139.94152.72*11.00142.38NONE0.00NONE180.00-178.45
30T-57.22*5.50-66.15-40.36*5.50-30.16-60.00*0.8551.14180.00-179.88
31W-79.65*5.50-78.620.63*5.50-14.0360.00*0.8554.66180.00-170.27
32C-94.43*11.00-91.91108.16*11.00117.29180.00*0.85-168.44180.00-178.15
33G-67.97*5.50-55.32-51.65*5.50-55.97NONE0.00NONE180.00170.48
34P-48.20*5.50-46.76-34.43*5.50-32.6713.50*0.8517.91180.00176.93
35C-67.61*5.50-65.33-39.15*5.50-40.52-60.00*0.85-69.77180.00-179.44
36K-66.66*5.50-71.38-40.04*5.50-37.38-60.00*0.85-68.12180.00-179.47
37M-63.39*5.50-59.98-27.99*5.50-45.11-60.00*0.85-129.77180.00-178.93
38I-106.28*5.50-89.713.82*5.50-5.91180.00*0.85-150.59180.00-178.40
39K-63.63*5.50-59.37-46.68*5.50-47.22-60.00*0.85-135.74180.00172.69
40P-60.26*5.50-57.24-43.50*5.50-45.03-24.80*0.85-25.99180.00-179.80
41F-64.68*5.50-64.57-38.03*5.50-39.07180.00*0.85-179.17180.00177.78
42F-58.39*5.50-63.45-47.68*5.50-40.78180.00*0.85-170.43180.00179.21
43H-65.74*5.50-72.68-44.08*5.50-32.59180.00*0.85179.45180.00175.44
44S-54.76*5.50-64.61-36.14*5.50-35.1660.00*0.8583.28180.00-178.50
45L-67.53*5.50-65.17-32.32*5.50-34.74-60.00*0.85-113.68180.00177.28
46S-68.66*15.50-67.48-21.39*15.50-27.3560.00*0.8572.68180.00174.56
47E-91.76*21.00-83.78-28.47*21.00-29.10-60.00*0.85-69.70180.00179.23
48K-73.18*21.00-75.14-46.50*21.00-42.72180.00*0.85172.76180.00-177.78
49Y-107.86*21.00-107.4295.81*21.0094.28-60.00*0.85-64.68180.00179.28
50S-67.43*21.00-79.35-29.43*21.00-12.11-60.00*0.8541.30180.00179.92
51N-90.20*31.00-94.3422.86*31.0014.8460.00*0.8556.09180.00-176.14
52V-129.97*21.00-133.51151.68*21.00143.23180.00*0.85174.97180.00-178.78
53I-111.11*21.00-100.73136.44*21.00135.95-60.00*0.85-60.55180.00-177.04
54F-125.58*11.00-120.57119.95*11.00120.03-60.00*0.85-71.56180.00-176.60
55L-115.00*11.00-115.53152.47*11.00143.81-60.00*0.85-94.48180.00170.25
56E-130.77*21.00-122.12133.11*21.00131.79180.00*0.85-150.98180.00-179.83
57V-121.39*21.00-125.24121.53*21.00115.83180.00*0.85173.44180.00175.41
58D-91.30*21.00-83.30116.20*21.00121.39180.00*0.85-169.81180.00-174.94
59V-55.15*15.50-65.59-33.16*15.50-21.54-60.00*0.85-61.49180.00175.10
60D-63.14*5.50-73.81-39.00*5.50-40.87-60.00*0.85-48.86180.00176.88
61D-81.90*5.50-75.98-36.04*5.50-38.16-60.00*0.85-56.11180.00-179.63
62A-113.50*11.00-111.9061.02*11.0062.35NONE0.00-68.78180.00179.17
63Q-56.38*5.50-55.51-27.71*5.50-38.38-60.00*0.85-70.22180.00176.12
64D-69.56*5.50-64.49-55.53*5.50-38.86180.00*0.8556.19180.00178.42
65V-60.54*5.50-70.05-39.95*5.50-42.88180.00*0.85177.54180.00175.20
66A-60.20*5.50-55.61-49.71*5.50-51.84NONE0.00NONE180.00177.45
67S-62.75*5.50-61.40-40.90*5.50-47.19-60.00*0.85-40.78180.00-177.19
68E-61.78*5.50-67.91-45.96*5.50-30.67180.00*0.85-69.05180.00174.72
69A-80.50*21.00-84.79-1.36*21.004.87NONE0.00-68.45180.00177.73
70E53.80*21.0052.6256.19*21.0045.03-60.00*0.85-53.21180.00179.78
71V-75.54*31.00-77.79133.03*31.00137.43180.00*0.85170.23180.00178.04
72K-112.10*21.00-134.58-54.23*21.00-18.96-60.00*0.8554.04180.00179.46
73A-110.83*21.00-124.38161.59*21.00159.15NONE0.00-68.13180.00-178.92
74T-111.21*11.00-126.33135.87*11.00137.14-60.00*0.85-43.930.00-16.67
75P-82.02*11.00-73.69159.75*11.00151.9534.66*0.8536.50180.00169.70
76T-118.77*11.00-118.47140.99*11.00138.69-60.00*0.85-77.71180.00177.70
77F-119.06*11.00-113.63126.13*11.00124.03-60.00*0.85-63.87180.00174.16
78Q-116.51*11.00-113.20146.07*11.00144.79-60.00*0.85-66.93180.00-174.82
79F-121.64*11.00-118.12132.09*11.00132.53-60.00*0.85-61.81180.00-176.57
80F-130.60*21.00-131.03142.19*21.00146.44-60.00*0.85-64.49180.00174.31
81K-137.11*31.00-141.26113.18*31.00125.19-60.00*0.85-139.93180.00-179.89
82K59.17*31.0050.9740.52*31.0047.96-60.00*0.85-68.71180.00177.18
83G75.88*31.0072.43-5.19*31.00-4.62NONE0.00NONE180.00-178.02
84Q-92.92*21.00-101.16137.25*21.00137.92-60.00*0.85-155.31180.00177.54
85K-80.34*21.00-76.13120.79*21.00119.88180.00*0.85179.08180.00-176.70
86V-107.46*21.00-113.31-7.06*21.001.60-60.00*0.85-68.38180.00177.58
87G-168.54*31.00-172.84169.90*31.00161.23NONE0.00NONE180.00-178.69
88E-174.81*31.00-170.59142.07*31.00137.28180.00*0.85176.94180.00165.90
89F-158.15*31.00-152.46164.37*31.00165.2860.00*0.8569.05180.00175.62
90S-115.43*21.00-117.71150.18*21.00158.04-60.00*0.85-55.80180.00178.78
91G108.25*21.00108.11148.76*21.00147.82NONE0.00NONE180.00-179.46
92A-92.56*21.00-83.8866.38*21.0068.61NONE0.00NONE180.00-179.64
93N-107.13*11.00-108.43109.95*11.00108.28180.00*0.85-175.23180.00-177.66
94K-70.59*5.50-62.66-36.33*5.50-42.66-60.00*0.85-66.63180.00-176.66
95E-71.03*5.50-69.37-47.46*5.50-46.1460.00*0.85-159.56180.00-179.08
96K-62.73*5.50-70.66-33.53*5.50-31.11180.00*0.85-176.05180.00176.53
97L-61.05*5.50-59.27-49.85*5.50-56.86180.00*0.85-142.06180.00-179.65
98E-75.60*5.50-62.64-31.25*5.50-40.16180.00*0.85-168.73180.00179.42
99A-61.88*5.50-64.82-43.81*5.50-36.19NONE0.00NONE180.00177.82
100T-70.01*5.50-72.03-37.17*5.50-39.20-60.00*0.85-55.90180.00177.61
101I-58.58*5.50-60.39-54.94*5.50-47.33-60.00*0.85-74.19180.00178.15
102N-61.71*5.50-67.81-19.89*5.50-19.52-60.00*0.85-76.35180.00175.05
103E-81.57*5.50-80.30-37.91*5.50-35.75180.00*0.85-159.98180.00-171.74
104L-96.36*15.50-96.23-3.76*15.50-16.72-60.00*0.85-70.19180.00-176.06
105V-67.62*21.00-65.76NONE21.00NONE180.00*0.8568.33180.00NONE

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