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Comparison of PREDITOR predictions with PDB-derived angles for Thioredoxin - Reduced (Human).
Chemical shifts were obtained from Chandrasekhar K, Campbell AP, Jeng MF, Holmgren A, Dyson HJ. J. Biomol.NMR.1994; 4: 411-32.,
Reference structure is 2TRXA.


PDB Homologue: 1ZZY;    BLAST E value= 2e-56;    %Seq Identity= 99.07


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
1SNONE40.00NONENONE42.000.72NONE0.00-84.58180.00-177.35
2D-71.7240.00-67.37-18.4142.00-17.12-60.000.7370.60180.00-175.87
3KNONE31.00-111.58-47.33*31.008.64180.00*0.85-63.46180.00-178.59
4I-91.32*31.00-95.34110.00*31.00125.63-60.00*0.85-51.35180.00176.58
5I-54.92*31.00-71.38132.42*31.00136.68-60.00*0.85-54.83180.00176.43
6H-94.38*31.00-89.1797.24*31.00109.76180.00*0.85175.08180.00179.87
7L-88.05*21.00-97.53152.62*21.00158.50-60.00*0.85-61.03180.00168.76
8T-134.53*11.00-131.65171.75*11.00168.8460.00*0.8570.12180.00176.45
9D-60.40*5.50-56.79-26.86*5.50-43.77-60.00*0.85-76.10180.00-178.31
10D-85.59*5.50-74.71-32.98*5.50-27.01180.00*0.85-69.96180.00-178.82
11S-98.20*5.50-89.063.85*5.50-6.7660.00*0.8580.05180.00-173.41
12F-63.86*5.50-55.52-53.52*5.50-47.44180.00*0.85-157.82180.00-175.86
13D-54.79*5.50-63.16-42.96*5.50-51.0260.00*0.85169.71180.00-178.56
14T-81.33*5.50-58.92-41.94*5.50-45.1060.00*0.85-57.32180.00-174.06
15D-74.50*5.50-85.29-26.03*5.50-30.76-60.00*0.85-71.02180.00-174.33
16V-113.04*5.50-108.66-50.99*5.50-54.69180.00*0.85178.91180.00-171.38
17L-69.00*5.50-68.77-32.88*5.50-28.74-60.00*0.85-56.48180.00178.46
18K-102.84*15.50-104.071.67*15.5018.44-60.00*0.85-75.90180.00-179.78
19A-67.25*31.00-65.59149.86*31.00151.30NONE0.00NONE180.00172.32
20D-110.80*31.00-90.2697.42*31.00120.99180.00*0.85-173.67180.00176.86
21G145.93*31.0089.72-167.43*31.00173.46NONE0.00NONE180.00-173.98
22A-94.11*21.00-76.38127.09*21.00141.69NONE0.00NONE180.00177.33
23I-123.38*11.00-132.59132.87*11.00132.63-60.00*0.85-175.89180.00-179.67
24L-109.10*11.00-104.33115.49*11.00126.11180.00*0.85178.72180.00-174.94
25V-103.78*21.00-113.91121.85*21.00124.05180.00*0.85176.61180.00177.58
26D-100.33*21.00-99.79112.65*21.00119.04180.00*0.85172.87180.00176.55
27F-93.61*21.00-94.65113.09*21.00118.76-60.00*0.85-73.70180.00-172.39
28W-136.27*11.00-145.45-175.96*11.00176.3560.00*0.8573.49180.00176.78
29A-160.79*11.00-158.82147.53*11.00153.53NONE0.00NONE180.00-174.95
30E-53.30*5.50-66.04-36.72*5.50-29.42-60.00*0.85-120.58180.00-179.65
31W-80.30*5.50-77.73-7.13*5.50-7.6960.00*0.8540.51180.00-174.06
32C-85.00*11.00-90.2597.56*11.00108.69180.00*0.85164.87180.00-177.95
33G-51.89*5.50-60.69-63.12*5.50-53.63NONE0.00NONE180.00179.24
34P-46.70*5.50-59.45-30.78*5.50-30.07-36.11*0.85-25.99180.00178.17
35C-68.42*5.50-63.46-48.78*5.50-44.63-60.00*0.85-62.24180.00178.92
36K-64.51*15.50-67.71-15.48*15.50-32.11-60.00*0.85-65.60180.00177.03
37M-79.56*5.50-62.64-33.74*5.50-32.81180.00*0.85-144.06180.00-177.64
38I-96.90*5.50-91.76-4.02*5.50-8.7660.00*0.8566.72180.00-179.81
39A-59.06*5.50-51.81-40.31*5.50-47.92NONE0.00NONE180.00179.49
40P-63.87*5.50-62.90-40.82*5.50-32.97-27.12*0.85-18.56180.00-178.72
41I-61.08*5.50-67.92-36.18*5.50-35.50-60.00*0.85-60.77180.00176.70
42L-68.37*5.50-63.86-38.70*5.50-37.13-60.00*0.85-73.05180.00176.18
43D-60.63*5.50-63.43-39.46*5.50-42.27-60.00*0.85-72.68180.00176.62
44E-78.26*5.50-61.71-34.25*5.50-41.90-60.00*0.85-56.42180.00-178.98
45I-63.75*5.50-66.90-33.35*5.50-39.87-60.00*0.85-79.50180.00178.72
46A-63.40*5.50-57.17-30.43*5.50-41.20NONE0.00NONE180.00176.90
47D-78.93*5.50-70.28-44.49*5.50-48.63-60.00*0.85-80.36180.00-175.37
48E-72.57*5.50-64.65-18.90*5.50-31.57-60.00*0.85-64.63180.00-173.72
49Y-119.90*21.00-110.0037.57*21.0015.60-60.00*0.85-75.72180.00-179.91
50Q-76.48*31.00-53.42120.15*31.00133.29180.00*0.85-170.72180.00-174.91
51G110.16*31.0089.39-28.34*31.00-20.98NONE0.00NONE180.00179.34
52K-119.28*31.00-115.898.03*31.00-16.6460.00*0.85-40.21180.00-175.85
53L-165.51*31.00-151.42141.66*31.00139.56180.00*0.85177.91180.00168.01
54T-120.94*21.00-102.54129.37*21.00134.93-60.00*0.85-59.88180.00176.76
55V-103.56*11.00-109.06131.68*11.00140.63180.00*0.85-179.97180.00-178.80
56A-130.37*11.00-138.74163.00*11.00160.00NONE0.00NONE180.00178.36
57K-141.20*11.00-129.16137.84*11.00144.16-60.00*0.85-75.77180.00175.76
58L-126.00*11.00-133.65120.67*11.00113.68180.00*0.85-176.20180.00177.26
59N-82.76*11.00-79.13115.27*11.00118.04180.00*0.85-179.45180.00-175.59
60I-66.90*15.50-75.94-33.87*15.50-12.8060.00*0.8563.41180.00177.31
61D-61.88*15.50-76.68-43.92*15.50-41.58-60.00*0.85-76.00180.00-177.37
62Q-83.19*21.00-82.40-21.17*21.00-23.97-60.00*0.85-66.13180.00-177.58
63N-132.67*21.00-134.8273.44*21.0082.47-60.00*0.85-61.01180.00-175.35
64P-75.96*21.00-81.7613.35*21.00-5.4138.38*0.8531.61180.00-174.83
65G-103.48*5.50-82.38-38.81*5.50-26.08NONE0.00NONE180.00-173.47
66T-66.09*5.50-81.11-45.80*5.50-45.33-60.00*0.85-60.12180.00-173.21
67A-48.52*5.50-52.16-48.53*5.50-46.30NONE0.00NONE180.00-178.16
68P-58.78*5.50-60.12-38.33*5.50-30.42-30.95*0.85-16.44180.00177.62
69K-62.22*21.00-68.66-23.35*21.00-20.21-60.00*0.85-48.62180.00-177.99
70Y-105.87*31.00-107.3725.36*31.006.31-60.00*0.85-71.50180.00177.68
71G52.82*31.0067.7924.44*31.0030.03NONE0.00NONE180.00-179.67
72I-68.48*31.00-71.48115.74*31.00136.96-60.00*0.85-68.77180.00-174.47
73R-95.35*31.00-120.90-14.74*31.00-19.72-60.00*0.85-121.20180.00-178.51
74G-171.41*21.00-150.38171.32*21.00166.53NONE0.00NONE180.00178.66
75I-129.29*11.00-132.00156.03*11.00150.5460.00*0.8553.170.000.60
76P-73.05*11.00-74.11152.47*11.00147.0837.25*0.8526.67180.00169.37
77T-151.79*11.00-127.51132.97*11.00136.08180.00*0.85-70.66180.00177.71
78L-116.41*11.00-109.21131.88*11.00126.84-60.00*0.85-61.08180.00172.44
79L-118.52*11.00-111.26132.74*11.00131.53-60.00*0.85-97.14180.00176.38
80L-104.86*11.00-104.92107.66*11.00112.37180.00*0.85-179.78180.00178.89
81F-89.08*21.00-101.03144.88*21.00142.59-60.00*0.85-74.34180.00170.92
82K-143.99*21.00-142.52124.17*21.00131.64180.00*0.85-70.14180.00176.26
83N58.16*21.0055.5620.63*21.0036.67-60.00*0.85-53.74180.00174.32
84G97.33*21.0081.1510.49*21.0010.31NONE0.00NONE180.00-177.98
85E-144.98*21.00-139.07149.02*21.00154.75-60.00*0.85-138.24180.00175.10
86V-57.96*21.00-69.51122.07*21.00126.32180.00*0.85173.01180.00178.35
87A-98.54*21.00-97.87-36.96*21.00-29.75NONE0.00NONE180.00-176.88
88A-155.25*21.00-167.22151.76*21.00157.09NONE0.00NONE180.00177.74
89T-127.00*21.00-140.41148.58*21.00158.15-60.00*0.8570.62180.00176.21
90K-148.05*21.00-144.80118.04*21.00124.09180.00*0.85-156.80180.00178.97
91V-110.48*21.00-102.10136.55*21.00133.62180.00*0.85-178.71180.00174.52
92G102.07*21.0098.30170.84*21.00160.19NONE0.00NONE180.00178.40
93A-77.50*21.00-66.54161.30*21.00159.84NONE0.00NONE180.00-177.54
94L-161.03*21.00-158.00156.53*21.00162.9560.00*0.8576.80180.00179.42
95S-77.00*11.00-85.18175.65*11.00162.8660.00*0.8576.21180.00175.03
96K-57.12*5.50-54.62-49.73*5.50-41.98180.00*0.85-176.56180.00-178.66
97G-58.71*5.50-64.09-46.98*5.50-39.14NONE0.00NONE180.00179.26
98Q-62.04*5.50-67.00-31.95*5.50-40.86-60.00*0.85-66.67180.00-179.54
99L-72.87*5.50-62.93-42.90*5.50-43.50180.00*0.85178.21180.00179.36
100K-62.45*5.50-59.17-45.51*5.50-43.37-60.00*0.85-72.97180.00179.92
101E-61.00*5.50-65.48-45.35*5.50-40.01-60.00*0.85-80.90180.00176.76
102F-59.17*5.50-60.79-45.13*5.50-44.90180.00*0.85168.81180.00179.56
103L-66.86*5.50-65.81-47.74*5.50-46.36-60.00*0.85-64.47180.00-176.15
104D-57.82*5.50-60.38-41.11*5.50-34.19-60.00*0.85-67.27180.00176.25
105A-69.71*21.00-62.73-32.58*21.00-23.38NONE0.00NONE180.00-175.31
106N-103.42*31.00-114.743.43*31.00-7.17-60.00*0.85-65.09180.00-172.18
107L-95.55*31.00-97.50-20.00*31.00-17.71-60.00*0.85-69.17180.00173.06
108A-77.26*31.00141.95NONE31.00NONENONE0.00NONE180.00NONE

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