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


PDB Homologue: 1SNM;    BLAST E value= 6e-55;    %Seq Identity= 88.15


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
9K-75.42*31.00-86.36132.06*31.00146.61-60.00*0.85-60.15180.00175.97
10E-124.90*31.00-133.26150.20*31.00149.84-60.00*0.85-52.68180.00-178.10
11P-75.77*31.00-72.21158.19*31.00150.36-1.13*0.85-8.97180.00176.95
12A-153.41*31.00-147.56167.77*31.00160.68NONE0.00NONE180.00179.40
13T-124.94*21.00-120.49135.01*21.00131.64-60.00*0.85-57.70180.00-179.16
14L-64.51*21.00-62.84135.06*21.00138.04180.00*0.85-158.41180.00172.49
15I-111.99*21.00-107.59-60.20*21.00-58.02-60.00*0.85-64.36180.00-178.84
16K-167.43*31.00-165.97141.76*31.00135.68180.00*0.85152.11180.00178.62
17A-74.74*31.00-80.99127.58*31.00132.44NONE0.00NONE180.00-179.20
18I-94.91*31.00-98.68-57.50*31.00-48.90-60.00*0.85-61.71180.00178.19
19D-158.13*21.00-156.03-161.18*21.00-165.6460.00*0.8578.06180.00-172.85
20G-57.80*21.00-60.24-34.02*21.00-34.33NONE0.00NONE180.00-174.50
21D-128.05*21.00-121.7017.00*21.0012.6660.00*0.8568.92180.00-178.51
22T-135.64*21.00-137.11127.61*21.00130.54-60.00*0.85-57.06180.00179.55
23V-138.54*21.00-142.21149.25*21.00148.01-60.00*0.85-47.42180.00177.71
24K-98.84*11.00-97.85135.28*11.00129.94-60.00*0.85-44.68180.00-178.51
25L-131.53*11.00-131.77159.89*11.00157.13-60.00*0.85-52.92180.00173.75
26M-93.76*21.00-97.46116.51*21.00120.79180.00*0.85-173.07180.00-177.14
27Y-124.07*21.00-132.96117.53*21.00118.77180.00*0.85170.08180.00179.94
28K56.39*21.0058.2440.85*21.0039.45-60.00*0.85-69.81180.00-179.26
29G67.43*21.0072.5320.98*21.0015.32NONE0.00NONE180.00-179.43
30Q-131.69*11.00-133.28140.43*11.00138.9260.00*0.85-164.12180.00178.10
31P-76.21*21.00-70.71134.28*21.00133.0319.50*0.8522.03180.00178.73
32M-145.05*21.00-150.74154.33*21.00153.11-60.00*0.85-67.14180.00173.95
33T-93.48*21.00-101.06135.37*21.00131.35-60.00*0.85136.64180.00179.51
34F-114.75*11.00-107.53148.32*11.00142.39-60.00*0.85-83.92180.00174.33
35R-124.81*11.00-116.83130.65*11.00127.82180.00*0.85167.18180.00179.67
36L-63.07*21.00-60.63124.09*21.00124.85-60.00*0.85-69.75180.00175.11
37L-64.47*21.00-65.12146.03*21.00151.93-60.00*0.85-85.08180.00172.72
38L66.62*21.0058.917.77*21.0013.22-60.00*0.85-57.79180.00179.31
39V-134.71*11.00-138.62173.63*11.00171.97-60.00*0.85-51.02180.00176.83
40D-147.66*11.00-148.78114.19*11.00113.54180.00*0.85-166.50180.00175.76
41T-93.86*11.00-96.11156.47*11.00154.2860.00*0.8558.08180.00178.72
42P-61.49*11.00-60.78138.95*11.00140.25-21.75*0.85-20.18180.00-178.74
56P-56.65*5.50-60.12-40.23*5.50-39.97-14.27*0.85-24.21180.00177.26
57E-59.91*5.50-65.30-50.36*5.50-45.13-60.00*0.85-75.72180.00177.96
58A-58.35*5.50-61.57-45.15*5.50-43.06NONE0.00NONE180.00178.38
59S-60.46*5.50-62.97-43.48*5.50-43.05-60.00*0.85-70.56180.00-177.35
60A-74.47*5.50-65.70-28.60*5.50-40.62NONE0.00NONE180.00-178.25
61F-62.79*5.50-60.04-55.11*5.50-56.78180.00*0.85-172.18180.00178.91
62T-57.19*5.50-55.48-46.77*5.50-48.91-60.00*0.85-52.77180.00179.85
63K-59.75*5.50-51.05-38.30*5.50-54.16180.00*0.85-171.20180.00-177.83
64K-66.92*5.50-55.01-47.94*5.50-52.3160.00*0.85-135.42180.00-178.61
65M-60.70*5.50-55.62-44.11*5.50-49.42180.00*0.85-161.09180.00-177.07
66V-77.89*5.50-79.02-34.66*5.50-29.05-60.00*0.85-60.20180.00-175.35
67E-73.36*5.50-76.80-25.33*5.50-31.34-60.00*0.85-64.49180.00-178.69
68N-91.79*21.00-86.55-0.45*21.00-5.00-60.00*0.85-63.16180.00-176.70
69A-77.18*21.00-73.24146.46*21.00142.90NONE0.00NONE180.00172.19
70K-80.31*21.00-71.97-49.41*21.00-49.79-60.00*0.85-61.88180.00-175.96
71K-121.79*11.00-126.31135.05*11.00137.57-60.00*0.85-51.45180.00174.53
72I-114.54*11.00-116.99139.80*11.00140.28-60.00*0.85-74.65180.00176.34
73E-134.65*11.00-135.37143.87*11.00147.90-60.00*0.85-64.55180.00179.53
74V-115.79*11.00-116.22143.00*11.00139.94-60.00*0.85-58.97180.00177.58
75E-130.33*11.00-129.51111.95*11.00111.68180.00*0.85173.09180.00179.78
76F-72.59*21.00-78.49155.18*21.00156.15-60.00*0.85-71.63180.00177.73
77N-95.40*21.00-91.27-157.25*21.00-166.31180.00*0.85-147.30180.00-176.05
78K-87.16*31.00-92.29-19.71*31.00-9.37-60.00*0.8568.44180.00177.65
79G-102.83*31.00-102.34-134.64*31.00-144.95NONE0.00NONE180.00178.30
80Q-50.62*31.00-56.89128.88*31.00143.00-60.00*0.85-29.37180.00-177.33
81R-98.38*21.00-103.13-4.09*21.00-3.71-60.00*0.85-65.88180.00178.93
82T-138.24*11.00-137.46153.74*11.00150.6360.00*0.8563.57180.00176.42
83D-92.62*31.00-96.39175.85*31.00178.0960.00*0.8571.45180.00-175.92
84K-64.86*41.00-61.90-8.01*41.00-11.9060.00*0.8566.69180.00179.41
85Y-96.76*41.00-95.990.18*41.00-0.24-60.00*0.85-62.66180.00-177.80
86G82.81*41.0082.674.03*41.0015.88NONE0.00NONE180.00-179.97
87R-78.82*41.00-88.38145.68*41.00137.19-60.00*0.85-64.23180.00178.18
88G-76.78*31.00-68.81145.29*31.00145.06NONE0.00NONE180.00177.98
89L-107.78*21.00-110.12111.79*21.00108.15-60.00*0.85-66.73180.00-178.20
90A-149.66*11.00-149.36173.95*11.00171.32NONE0.00NONE180.00167.75
91Y-95.11*11.00-95.13128.19*11.00130.27-60.00*0.85-56.95180.00-179.58
92I-109.07*11.00-111.32138.06*11.00136.39-60.00*0.85-65.23180.00-179.38
93Y-120.38*11.00-118.08132.32*11.00139.31-60.00*0.85-68.41180.00178.50
94A-116.88*11.00-119.19112.25*11.00110.07NONE0.00NONE180.00-178.95
95D53.94*11.0052.1847.18*11.0042.89-60.00*0.85-72.31180.00175.91
96G70.78*11.0076.161.29*11.009.12NONE0.00NONE180.00178.51
97K-94.23*11.00-106.36124.35*11.00128.81180.00*0.85-159.85180.00-179.03
98M-72.71*11.00-70.56118.68*11.00117.55180.00*0.85-157.05180.00178.66
99V-60.11*5.50-62.51-42.00*5.50-40.21180.00*0.85177.55180.00-176.53
100N-50.81*5.50-54.85-44.11*5.50-44.76-60.00*0.85-36.67180.00-176.14
101E-74.91*5.50-74.36-39.91*5.50-39.93180.00*0.85-173.31180.00179.41
102A-53.81*5.50-55.61-47.68*5.50-44.43NONE0.00NONE180.00178.53
103L-61.20*5.50-60.82-46.90*5.50-49.56-60.00*0.85-76.67180.00179.60
104V-63.19*5.50-62.34-45.32*5.50-48.39180.00*0.85174.38180.00-178.72
105R-59.32*21.00-56.14-34.63*21.00-32.61180.00*0.85179.28180.00-179.71
106Q-81.76*21.00-87.21-0.51*21.00-1.45-60.00*0.85-64.66180.00-179.01
107G72.68*21.0075.3826.38*21.0024.97NONE0.00NONE180.00179.34
108L-106.96*5.50-102.043.42*5.505.42-60.00*0.85-64.08180.00-179.86
109A-149.26*11.00-162.72157.64*11.00155.97NONE0.00NONE180.00177.46
110K-116.07*11.00-108.80155.50*11.00155.8460.00*0.85-64.34180.00174.47
111V-66.27*11.00-75.24123.14*11.00125.74180.00*0.85164.28180.00-178.42
112A-146.94*21.00-148.03169.65*21.00172.08NONE0.00NONE180.00173.02
113Y51.23*21.0053.8357.59*21.0047.21-60.00*0.85-62.77180.00-178.85
114V-87.05*21.00-80.44107.40*21.00109.11180.00*0.85-177.39180.00178.78
115Y-114.87*21.00-122.20101.34*21.00108.56-60.00*0.85-54.98180.00176.64
116K-52.89*21.00-64.55143.75*21.00148.63-60.00*0.85-37.500.00-1.72
117P-88.11*21.00-85.4512.25*21.0016.5126.91*0.8528.85180.00-177.63
118N-86.36*21.00-84.1763.26*21.0065.38-60.00*0.85-85.68180.00-177.31
119N-140.12*11.00-144.8728.31*11.0031.6960.00*0.8565.92180.00-178.06
120T-49.34*5.50-53.02-43.91*5.50-42.68-60.00*0.85-55.47180.00-174.53
121H-100.61*5.50-102.2019.16*5.5022.27-60.00*0.85-56.86180.00-179.04
122E-55.06*5.50-56.83-37.01*5.50-46.34180.00*0.85178.87180.00-178.29
123Q-67.51*5.50-64.63-48.02*5.50-44.56-60.00*0.85-63.83180.00176.18
124H-58.07*5.50-56.12-50.16*5.50-53.45180.00*0.85178.38180.00176.79
125L-65.65*5.50-61.79-39.04*5.50-38.04-60.00*0.85-61.16180.00-179.22
126R-63.67*5.50-65.47-40.09*5.50-33.71-60.00*0.85-92.23180.00-179.36
127K-63.60*5.50-70.69-36.24*5.50-39.35-60.00*0.8536.92180.00179.96
128S-73.54*5.50-63.00-35.80*5.50-38.51-60.00*0.85-77.79180.00-179.37
129E-64.27*5.50-63.96-38.41*5.50-39.97180.00*0.85-170.56180.00-179.79
130A-59.89*5.50-62.81-44.89*5.50-39.23NONE0.00NONE180.00177.70
131Q-63.75*5.50-65.42-43.88*5.50-46.71180.00*0.85-164.90180.00176.70
132A-64.41*5.50-60.04-37.43*5.50-39.18NONE0.00NONE180.00-179.92
133K-68.42*5.50-66.54-52.06*5.50-49.09-60.00*0.85-146.22180.00179.39
134K-57.04*5.50-68.83-33.31*5.50-19.37180.00*0.8571.62180.00173.04
135E-89.56*31.00-97.472.45*31.003.72-60.00*0.85-53.29180.00178.23
136K58.07*31.0051.7939.37*31.0045.98-60.00*0.85-35.31180.00-175.86
137L-92.82*31.00-85.46140.70*31.00135.82-60.00*0.85-69.91180.00176.32
138N40.38*31.0040.72-119.95*31.00-108.05-60.00*0.85-65.95180.00-179.78
139I-45.78*31.00-42.04-30.08*31.00-48.0360.00*0.85-88.09180.00-175.41
140W-95.34*31.00-83.6713.37*31.002.69-60.00*0.85-53.24180.00-175.53
141S-66.62*31.00-79.21-47.44*31.00NONE-60.00*0.8571.17180.00NONE

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