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Comparison of PREDITOR predictions with PDB-derived angles for Alpha-lytic protease.
Chemical shifts were obtained from Cornilescu G, Delaglio F, Bax A. J. Biomol. NMR. 1999; 13: 289-302.,
Reference structure is 2ALP.


PDB Homologue: 1BOQ;    BLAST E value= 1e-65;    %Seq Identity= 90.91


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
1ANONE21.00NONE145.79*21.00156.55NONE0.00NONE180.00178.33
2N-79.86*21.00-92.43116.84*21.00123.60-60.00*0.85-78.20180.00-178.93
3I-84.86*11.00-90.40105.01*11.00111.62-60.00*0.85-50.52180.00-178.85
4V-116.04*11.00-128.65140.39*11.00140.60180.00*0.85169.78180.00179.19
5G-58.67*21.00-60.82135.75*21.00140.13NONE0.00NONE180.00175.97
6G106.00*21.0096.62-14.75*21.00NONENONE0.00NONE180.00NONE
7I-90.64*31.00NONE156.29*31.00158.7660.00*0.8569.91180.00179.80
8E-66.51*21.00-76.64142.12*21.00146.32180.00*0.85-177.79180.00170.48
9Y-144.46*11.00-144.40145.09*11.00155.3160.00*0.8572.84180.00177.29
10S-100.70*11.00-110.58157.58*11.00160.8160.00*0.8563.13180.00-179.95
11I-118.70*11.00-122.98115.90*11.00121.60-60.00*0.85-53.38180.00179.83
12N54.90*21.0049.4538.39*21.00NONE-60.00*0.85-72.43180.00NONE
13N60.03*31.00NONE12.01*31.0025.32-60.00*0.85-98.06180.00-175.55
14A-121.39*21.00-129.79-81.15*21.00-81.52NONE0.00NONE180.00-177.67
15S-73.26*21.00-72.35153.61*21.00158.38-60.00*0.85-68.31180.00176.49
16L-111.43*21.00-121.90140.06*21.00144.79-60.00*0.85-61.34180.00172.93
17C-137.36*21.00-143.75-179.75*21.00-174.39-60.00*0.85-86.26180.00-179.61
18S-113.75*11.00-122.68147.90*11.00146.40-60.00*0.85-59.84180.00177.72
19V-68.02*11.00-69.75134.21*11.00140.50180.00*0.85169.30180.00177.27
20G-84.18*5.50-86.41-74.19*5.50-81.34NONE0.00NONE180.00-179.09
21F-147.29*11.00-146.31141.06*11.00146.72-60.00*0.85-60.29180.00175.26
22S-68.16*11.00-70.64131.60*11.00138.19-60.00*0.85-71.17180.00178.36
23V-135.47*11.00-145.46164.23*11.00168.82-60.00*0.85-69.14180.00174.06
24T-129.68*11.00-130.28156.53*11.00156.3060.00*0.8556.90180.00173.31
25R-133.11*11.00-135.7484.17*11.0085.71180.00*0.85-159.86180.00-175.93
26G70.64*21.0068.08-129.00*21.00-131.91NONE0.00NONE180.00179.86
27A-81.18*21.00-74.76-9.69*21.00-12.01NONE0.00NONE180.00-176.91
28T-79.52*21.00-80.57127.49*21.00130.56-60.00*0.85-53.25180.00178.06
29K-83.90*21.00-90.42144.85*21.00150.97-60.00*0.85-71.19180.00177.86
30G-158.81*21.00-164.50177.14*21.00-179.13NONE0.00NONE180.00171.57
31F-139.42*11.00-143.03148.45*11.00143.9360.00*0.8569.65180.00175.70
32V-90.80*11.00-89.67152.00*11.00149.44-60.00*0.85-64.00180.00-177.53
33T-158.62*11.00-159.92-174.78*11.00-171.03180.00*0.85-167.85180.00-177.99
34A-83.98*11.00-87.79146.03*11.00141.93NONE0.00NONE180.00-179.39
35G-66.64*5.50-63.13-28.61*5.50-34.50NONE0.00NONE180.00179.87
36H-74.63*5.50-67.02-4.48*5.50-13.4360.00*0.8577.51180.00-179.24
37C-75.80*5.50-69.51-26.29*5.50-30.40-60.00*0.85-70.15180.00-177.07
38G-167.96*11.00-164.13161.41*11.00169.55NONE0.00NONE180.00176.37
39T-85.96*11.00-102.91164.65*11.00168.1160.00*0.8544.16180.00179.11
40V-53.52*11.00-57.50142.08*11.00139.27180.00*0.85173.71180.00179.96
41N62.91*11.0077.396.28*11.00-0.97-60.00*0.85-54.26180.00177.62
42A-64.00*11.00-63.69140.88*11.00144.16NONE0.00NONE180.00-177.48
43T-80.61*11.00-89.83124.43*11.00NONE-60.00*0.85-55.09180.00NONE
44A-93.01*11.00NONE129.68*11.00133.53NONE0.00NONE180.00178.04
45R-120.48*11.00-122.96144.42*11.00145.70-60.00*0.85-68.77180.00175.45
46I-126.80*21.00-128.00115.99*21.00124.00-60.00*0.85-65.72180.00-179.62
49A-75.96*21.00-97.04134.59*21.00139.45NONE0.00NONE180.00176.65
50V-69.55*11.00-68.51127.99*11.00128.85180.00*0.85170.09180.00-179.01
51V-116.51*5.50-116.66-17.35*5.50-21.96-60.00*0.85-65.49180.00-178.98
52G169.56*11.00172.09-168.01*11.00NONENONE0.00NONE180.00NONE
53T-141.27*11.00NONE154.05*11.00154.9060.00*0.8560.77180.00179.88
54F-61.85*21.00-66.18125.71*21.00124.81-60.00*0.85-86.44180.00-179.04
55A-92.83*21.00-90.15-28.87*21.00-38.17NONE0.00NONE180.00-177.77
56A-164.04*21.00-159.61151.76*21.00155.41NONE0.00NONE180.00175.47
57R-160.14*21.00-158.16159.33*21.00161.8160.00*0.8554.97180.00172.99
58V-139.19*21.00-138.38117.58*21.00NONE180.00*0.85-173.41180.00NONE
59F-167.87*21.00NONE131.42*21.00133.66180.00*0.85175.270.00-3.09
60P-79.56*31.00-81.00-149.54*31.00NONE42.26*0.8538.13180.00NONE
61G83.09*21.00NONE-67.41*21.00-70.65NONE0.00NONE180.00172.83
62N-119.44*21.00-116.94179.47*21.00-173.90-60.00*0.85-57.89180.00176.38
63D-145.71*11.00-147.1079.58*11.0077.92180.00*0.85-167.18180.00-175.56
64R-141.81*11.00-144.75146.53*11.00156.5960.00*0.8563.04180.00176.80
65A-155.84*11.00-165.36158.79*11.00164.88NONE0.00NONE180.00172.09
66W-129.91*11.00-138.46142.82*11.00145.6960.00*0.8580.78180.00179.35
67V-98.83*11.00-110.65123.46*11.00126.68180.00*0.85169.43180.00178.24
68S-88.67*11.00-89.87127.07*11.00129.9260.00*0.8536.13180.00-176.94
69L-93.02*21.00-98.85154.70*21.00162.01-60.00*0.85-62.24180.00174.77
70T-71.83*31.00-75.53153.96*31.00161.9660.00*0.8571.11180.00-178.94
72A-68.72*31.00-71.82-19.69*31.00-17.23NONE0.00NONE180.00-176.80
73Q-73.78*31.00-76.30144.82*31.00144.97-60.00*0.85-44.69180.00-179.43
74T-108.71*31.00-106.90110.62*31.00115.41-60.00*0.85-52.81180.00-179.69
75L-77.61*31.00-87.31128.83*31.00NONE-60.00*0.85-60.52180.00NONE
77P-84.60*11.00-82.8153.79*11.0051.2936.90*0.8537.62180.00-174.67
78R-140.52*11.00-140.88145.89*11.00157.43-60.00*0.85-58.06180.00176.47
79V-115.60*11.00-125.03133.90*11.00137.54180.00*0.85168.49180.00178.69
80A-66.10*21.00-67.10135.70*21.00135.22NONE0.00NONE180.00174.56
81N-136.51*21.00-138.0092.06*21.0088.49180.00*0.85163.20180.00-176.98
82G58.24*21.0063.65-137.36*21.00-124.37NONE0.00NONE180.00-177.54
83S-79.88*15.50-92.00-1.54*15.50-5.87-60.00*0.85-85.92180.00-177.69
84S-111.68*11.00-106.89-174.25*11.00-174.64180.00*0.85-154.23180.00-178.66
85F-140.17*11.00-139.72154.74*11.00154.09-60.00*0.85-53.28180.00174.19
86V-113.98*11.00-111.47128.84*11.00127.43180.00*0.85176.57180.00179.53
87T-83.25*21.00-80.54135.69*21.00137.38-60.00*0.85-55.40180.00177.49
88V-83.26*31.00-87.33118.03*31.00120.22180.00*0.85177.70180.00-177.11
89R-103.76*31.00-108.59-16.07*31.00-18.88-60.00*0.85-67.41180.00-179.57
90G168.58*31.00175.71-168.91*31.00-165.10NONE0.00NONE180.00179.97
91S-132.52*21.00-136.4241.66*21.0040.5660.00*0.8555.95180.00175.11
92T-63.16*11.00-66.74121.14*11.00NONE-60.00*0.85-56.67180.00NONE
93E-79.57*11.00NONE120.90*11.00130.23180.00*0.85178.77180.00179.02
94A-70.55*21.00-83.47147.57*21.00159.55NONE0.00NONE180.00-178.69
95A-81.34*21.00-93.08167.73*21.00168.22NONE0.00NONE180.00175.54
96V-56.38*31.00-58.12137.59*31.00135.30180.00*0.85176.39180.00-177.85
97G94.02*31.0097.78-15.12*31.00-15.52NONE0.00NONE180.00-179.96
98A-65.21*31.00-70.84149.67*31.00150.29NONE0.00NONE180.00176.57
99A-76.00*31.00-77.85147.03*31.00145.21NONE0.00NONE180.00179.87
100V-154.96*21.00-151.45154.70*21.00154.9160.00*0.8567.54180.00177.93
101C-128.21*11.00-127.56166.75*11.00163.22-60.00*0.85-57.27180.00178.11
102R-138.76*11.00-139.81154.13*11.00153.6460.00*0.8552.90180.00-178.66
103S-128.48*11.00-129.79135.51*11.00136.82180.00*0.85-177.16180.00-178.34
104G-169.04*11.00-163.10155.59*11.00165.10NONE0.00NONE180.00-173.65
105R-73.93*15.50-75.22-13.79*15.50-11.8160.00*0.8559.13180.00-177.45
106T-95.83*15.50-95.79-51.14*15.50-56.35-60.00*0.85-58.79180.00-179.26
107T-107.53*21.00-102.096.36*21.00NONE60.00*0.8566.46180.00NONE
108G73.66*21.00NONE-150.10*21.00-146.00NONE0.00NONE180.00-176.99
109Y-86.38*21.00-94.61112.69*21.00119.45180.00*0.85-167.21180.00-176.21
110Q-126.02*11.00-130.05148.76*11.00146.85-60.00*0.85-61.74180.00-179.96
111C-131.50*11.00-127.60155.78*11.00160.48-60.00*0.85-59.22180.00178.53
112G-170.23*21.00-170.98-160.14*21.00-148.36NONE0.00NONE180.00-179.44
113T-126.85*21.00-134.72158.76*21.00162.3260.00*0.8567.23180.00176.63
114I-71.92*31.00-82.13120.71*31.00129.06-60.00*0.85-63.95180.00-176.73
115T-102.04*31.00-110.81-16.95*31.00-22.6060.00*0.8557.32180.00-177.78
116A-171.28*31.00-166.43155.35*31.00156.73NONE0.00NONE180.00179.34
117K-125.95*31.00-125.61165.01*31.00164.29-60.00*0.85-69.61180.00179.00
118N59.76*31.0056.1843.41*31.0048.83180.00*0.85-155.50180.00178.18
119V-88.89*21.00-94.30133.00*21.00139.34-60.00*0.85174.05180.00173.57
120T-87.78*21.00-96.43127.03*21.00134.38-60.00*0.85-60.44180.00176.59
121A-103.63*11.00-112.75134.92*11.00137.92NONE0.00NONE180.00177.92
125E-80.34*15.50-74.85-16.90*15.50-20.09-60.00*0.85-55.65180.00-175.41
126G148.49*21.00144.57169.28*21.00174.61NONE0.00NONE180.00-179.11
127A-67.80*21.00-75.71132.61*21.00149.11NONE0.00NONE180.00173.98
128V-108.27*21.00-126.96118.45*21.00118.63180.00*0.85174.48180.00-178.54
129R-95.80*21.00-102.44160.60*21.00163.82-60.00*0.85-58.69180.00174.24
130G70.54*31.0070.9322.40*31.0023.06NONE0.00NONE180.00179.19
131L-80.96*31.00-79.22154.76*31.00156.97-60.00*0.85-62.10180.00175.14
132T-100.43*31.00-103.37144.04*31.00138.24-60.00*0.85-63.22180.00-179.20
133Q-106.61*21.00-109.03132.62*21.00138.94180.00*0.85173.33180.00175.56
134G-122.40*21.00-134.29168.12*21.00175.34NONE0.00NONE180.00-178.48
135N-111.29*21.00-118.2720.18*21.0018.8660.00*0.8567.90180.00170.98
136A-64.06*11.00-74.71144.58*11.00NONENONE0.00NONE180.00NONE
137C-90.94*11.00NONE166.60*11.00164.6060.00*0.8582.69180.00-177.40
138M-154.49*21.00-161.22170.97*21.00168.8260.00*0.8554.13180.00-179.46
139G-133.00*21.00-144.75169.72*21.00170.43NONE0.00NONE180.00178.45
143S-41.53*21.00-49.16139.11*21.00141.61-60.00*0.85-68.35180.00-179.81
144G82.32*21.0088.40-22.71*21.00-20.86NONE0.00NONE180.00-176.41
145G-70.79*31.00-65.20160.10*31.00160.29NONE0.00NONE180.00-177.26
146S-61.95*31.00-68.19139.62*31.00147.53-60.00*0.85-34.39180.00167.85
147W-116.91*21.00-123.04128.19*21.00127.17-60.00*0.85-81.29180.00-175.08
148I-152.16*21.00-151.55146.95*21.00151.55180.00*0.85-173.40180.00175.38
149T-81.51*21.00-83.65158.62*21.00162.5160.00*0.8564.36180.00179.17
150S-55.94*15.50-63.25-27.19*15.50-21.4060.00*0.8564.04180.00178.51
151A-74.94*21.00-84.735.69*21.00NONENONE0.00NONE180.00NONE
152G88.10*21.00NONE7.03*21.0015.36NONE0.00NONE180.00178.71
153Q-89.40*21.00-91.16111.05*21.00112.26-60.00*0.85-64.64180.00-179.84
154A-61.08*21.00-67.43114.41*21.00128.65NONE0.00NONE180.00-176.26
155Q-92.73*5.50-102.74-45.65*5.50-39.32-60.00*0.85-55.28180.00-176.06
156G174.09*11.00170.52-166.68*11.00-171.89NONE0.00NONE180.00-177.68
157V-113.86*11.00-121.38141.02*11.00140.58-60.00*0.85-62.31180.00-179.54
158M-55.58*11.00-56.31121.39*11.00130.63180.00*0.85179.41180.00178.98
159S-102.11*21.00-112.11-62.12*21.00-53.82180.00*0.85177.02180.00-177.32
160G-159.20*31.00-176.71-179.55*31.00-173.92NONE0.00NONE180.00-177.96
161G-171.70*31.00173.50160.19*31.00178.76NONE0.00NONE180.00-177.46
162N-80.03*31.00-82.7570.84*31.0074.4860.00*0.8562.68180.00179.75
163V-66.09*31.00-72.37135.29*31.00148.39-60.00*0.85-60.57180.00-179.43
164Q-84.32*21.00-96.06-174.44*21.00-177.03-60.00*0.85-47.58180.00-178.58
165S-70.21*21.00-60.30-10.83*21.00-23.9460.00*0.8578.09180.00179.09
166N-83.66*31.00-81.220.84*31.001.4060.00*0.8570.04180.00178.62
167G98.50*41.0088.56-5.94*41.00-0.89NONE0.00NONE180.00177.59
168N-145.46*41.00-142.11178.48*41.00-178.9160.00*0.8562.16180.00176.09
169N-114.32*31.00-120.1526.36*31.0021.2860.00*0.8564.23180.00-179.64
170C-76.01*31.00-79.11-14.96*31.00-18.03-60.00*0.85-61.55180.00-178.19
171G-98.02*21.00-85.4020.96*21.004.38NONE0.00NONE180.00179.61
172I-130.61*11.00-123.05154.90*11.00157.4160.00*0.8565.53180.00-178.08
177R-80.71*21.00-92.39141.91*21.00141.22-60.00*0.85-61.60180.00174.35
178S-133.29*21.00-128.14101.46*21.00102.31180.00*0.85168.27180.00179.33
179S-113.04*11.00-116.36114.28*11.00118.76-60.00*0.85-55.19180.00-171.82
180L-103.61*11.00-112.90132.98*11.00139.86-60.00*0.85-52.62180.00178.35
181F-120.03*11.00-127.53152.06*11.00150.8960.00*0.8568.09180.00176.69
182E-84.23*11.00-89.78126.68*11.00126.35180.00*0.85170.23180.00179.26
183R-57.34*11.00-58.29135.97*11.00138.61-60.00*0.85-68.34180.00179.79
184L-70.08*21.00-69.94-40.75*21.00-41.26180.00*0.85179.92180.00-174.89
185Q-53.14*21.00-48.53-48.12*21.00-53.76-60.00*0.85-81.97180.00178.41
186P-65.11*5.50-59.48-28.26*5.50-33.6234.07*0.8513.47180.00179.01
187I-68.82*5.50-64.85-47.47*5.50-49.08-60.00*0.85-50.05180.00-178.36
188L-59.67*5.50-57.65-41.14*5.50-46.26-60.00*0.85-57.07180.00-178.14
189S-81.87*5.50-72.05-36.64*5.50-39.5760.00*0.8562.72180.00-179.38
190Q-59.44*5.50-58.06-39.27*5.50-42.76180.00*0.85173.99180.00-176.68
191Y-99.56*5.50-100.707.60*5.501.45-60.00*0.85-62.40180.00179.19
192G61.77*11.0065.3442.08*11.0039.19NONE0.00NONE180.00-178.86
193L-96.23*11.00-92.86153.78*11.00154.56-60.00*0.85-55.71180.00173.27
194S-123.28*21.00-118.45137.33*21.00135.09-60.00*0.85-70.02180.00-179.83
195L-70.51*21.00-72.89139.08*21.00140.96180.00*0.85-171.06180.00175.45
196V-79.55*31.00-85.84119.81*31.00124.71180.00*0.85170.58180.00-177.90
197T-122.46*31.00-124.09162.55*31.00164.2360.00*0.8565.69180.00-179.62
198G-147.43*31.00-141.47NONE31.00NONENONE0.00NONE180.00NONE

>

   

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