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Comparison of PREDITOR predictions with PDB-derived angles for Carbonic Anhydrase I (Human).
Chemical shifts were obtained from 4022,
Reference structure is 1HCB.


PDB Homologue: 2CAB;    BLAST E value= 0;    %Seq Identity= 95.14


Res#AAφpredErrorφexpψpredErrorψexpχ1predConfχ1expωpredωexp
6G-162.72*41.00-154.09-149.52*41.00-147.02NONE0.00NONE180.00179.88
7Y-122.31*41.00-129.18-8.37*41.0011.34-60.00*0.85-73.80180.00179.61
12G-70.03*31.00-74.88-178.41*31.00-172.09NONE0.00NONE180.00-173.36
13P-50.45*31.00-52.36-42.46*31.00-39.63-26.77*0.85-29.96180.00178.10
14E-70.63*21.00-68.52-5.54*21.00-13.79-60.00*0.85-58.09180.00178.70
15Q-116.32*21.00-103.98-5.72*21.00-17.60-60.00*0.85-51.03180.00-171.65
16W-63.73*21.00-59.25-31.73*21.00-24.21-60.00*0.85-61.93180.00-178.63
17S-63.08*21.00-65.32-26.10*21.00-41.8660.00*0.8568.70180.00174.82
22I-61.48*31.00-65.65-13.66*31.00-10.99180.00*0.85-156.79180.00172.50
23A-53.41*31.00-55.55-32.00*31.00-31.80NONE0.00NONE180.00175.63
24N-97.12*31.00-100.6813.28*31.0026.23-60.00*0.85-55.36180.00177.07
25G-62.09*31.00-69.69175.56*31.00179.53NONE0.00NONE180.00-176.91
26N-93.30*31.00-91.60-1.77*31.00-4.34-60.00*0.85-63.81180.00-177.09
27N-136.74*31.00-131.8646.58*31.0045.02-60.00*0.85-53.19180.00-175.56
28Q-83.50*21.00-85.08150.02*21.00150.38-60.00*0.85-71.47180.00176.57
29S-122.60*21.00-126.62155.83*21.00160.93-60.00*0.85-59.050.00-1.89
30P-78.36*11.00-80.44-178.53*11.00172.6038.65*0.8537.95180.00178.85
31V-141.33*11.00-132.33160.43*11.00164.63-60.00*0.85-58.32180.00171.83
32D-87.99*21.00-89.27125.64*21.00133.52180.00*0.85174.42180.00174.52
33I-92.68*11.00-97.87107.58*11.00114.58-60.00*0.85-58.76180.00-177.58
34K-87.30*11.00-94.91100.71*11.00108.90-60.00*0.85-68.15180.00-175.92
35T-52.80*5.50-62.58-21.39*5.50-28.5860.00*0.8564.72180.00174.80
37E-105.54*21.00-114.221.61*21.0010.99-60.00*0.85-55.03180.00178.56
38T-67.48*21.00-74.78141.93*21.00154.9360.00*0.8554.88180.00179.43
39K-103.07*31.00-114.04124.78*31.00121.94180.00*0.85164.81180.00169.57
40H-82.04*31.00-65.16116.02*31.00119.99180.00*0.85-175.76180.00178.07
41D-98.48*31.00-117.53116.57*31.00120.38180.00*0.85167.61180.00-172.29
42T-80.14*31.00-77.25-5.42*31.00-8.5960.00*0.8558.70180.00175.69
43S-87.49*31.00-79.89-18.19*31.00-18.2360.00*0.8583.19180.00-179.92
44L-63.65*31.00-62.76143.36*31.00131.62-60.00*0.85-71.97180.00171.56
45K-112.69*21.00-93.80160.69*21.00161.63-60.00*0.85-61.99180.00172.59
46P-61.22*21.00-61.46144.96*21.00143.530.45*0.85-9.20180.00168.60
47I-79.47*21.00-70.49138.68*21.00146.4160.00*0.8569.33180.00178.62
48S-117.88*21.00-129.85114.23*21.00119.31180.00*0.85165.53180.00172.96
49V-109.42*11.00-110.66136.13*11.00145.28-60.00*0.85-60.74180.00175.86
50S-143.28*11.00-139.4498.78*11.0097.14180.00*0.85-165.06180.00-175.67
51Y-113.17*11.00-112.20146.36*11.00140.17-60.00*0.85-57.74180.00176.84
52N-102.83*11.00-101.68118.67*11.00122.24180.00*0.85-177.08180.00-179.18
53P-56.78*15.50-60.57-29.08*15.50-29.66-11.84*0.85-9.73180.00177.17
54A-68.30*21.00-63.39-6.33*21.00-9.27NONE0.00NONE180.00177.11
55T-90.01*21.00-86.56-4.04*21.00-7.6360.00*0.8564.00180.00177.43
56A-67.37*21.00-62.53130.39*21.00132.02NONE0.00NONE180.00-172.81
57K-123.58*5.50-120.34-58.46*5.50-61.8360.00*0.85-166.02180.00-173.04
58E-143.55*11.00-156.54162.05*11.00161.1560.00*0.8558.56180.00177.14
59I-116.99*11.00-121.29134.56*11.00130.91180.00*0.85-174.03180.00-177.92
60I-141.99*21.00-138.71142.13*21.00140.64180.00*0.85178.33180.00175.35
61N-88.68*21.00-89.18111.31*21.00114.21180.00*0.85-178.05180.00177.85
62V-98.07*31.00-99.7512.88*31.0015.65-60.00*0.85-61.39180.00169.65
63G91.46*31.0094.07-61.54*31.00-63.41NONE0.00NONE180.00176.96
64H-88.85*21.00-89.23-14.65*21.00-9.6760.00*0.8559.49180.00-175.43
65S-166.00*11.00-168.43-170.84*11.00-175.26180.00*0.85-160.72180.00171.39
66F-130.36*11.00-128.61142.73*11.00147.0460.00*0.8567.90180.00178.11
67H-120.20*11.00-123.86146.00*11.00140.91-60.00*0.85-63.32180.00168.67
68V-114.19*21.00-105.31107.55*21.00114.51180.00*0.85-178.29180.00-175.52
69N-103.75*21.00-105.31153.22*21.00150.94-60.00*0.85-68.44180.00-175.64
70F-124.09*21.00-119.83156.11*21.00143.58-60.00*0.85-70.26180.00168.51
71E-67.29*31.00-59.26129.53*31.00129.34-60.00*0.85-75.00180.00-174.65
72D-134.22*31.00-130.0547.19*31.0037.9360.00*0.8563.26180.00-178.31
74D-98.56*21.00-82.9733.33*21.00-17.82-60.00*0.8555.13180.00177.65
76R-62.58*5.50-61.17-41.91*5.50-35.33-60.00*0.85-88.95180.00-177.97
77S-116.56*11.00-130.29115.15*11.00114.05-60.00*0.85-51.21180.00-177.45
78V-140.82*11.00-138.93161.88*11.00154.66-60.00*0.85-62.14180.00167.98
79L-116.55*11.00-104.19132.45*11.00130.33180.00*0.85173.29180.00177.32
80K-141.89*21.00-135.93173.49*21.00165.27-60.00*0.85-75.84180.00-179.74
81G83.07*31.0081.46-159.52*31.00-140.92NONE0.00NONE180.00-172.82
82G68.45*31.0052.11-139.42*31.00-128.57NONE0.00NONE180.00178.03
83P-88.23*41.00-82.57-2.84*41.00-5.0740.56*0.8534.07180.00-164.15
84F-82.34*41.00-94.97148.30*41.00153.84-60.00*0.85-56.71180.00172.52
85S-111.77*41.00-105.65-9.19*41.00-24.74180.00*0.85-70.43180.00178.98
86D-138.59*41.00-104.36168.50*41.00160.4960.00*0.85-64.05180.00172.73
87S-83.19*31.00-84.03143.18*31.00155.49-60.00*0.8566.46180.00176.53
88Y-118.03*21.00-120.00130.62*21.00133.55-60.00*0.85-75.92180.00-171.79
89R-88.11*21.00-94.67126.87*21.00121.18180.00*0.85-175.30180.00178.16
90L-63.91*31.00-60.22130.68*31.00135.64180.00*0.85172.45180.00171.97
91F-126.91*31.00-130.20-21.23*31.00-25.1160.00*0.8571.57180.00-171.58
92Q-173.50*31.00-162.63159.77*31.00153.61180.00*0.85178.96180.00158.72
93F-138.23*21.00-134.04147.54*21.00151.7160.00*0.8574.80180.00175.75
94H-154.75*21.00-156.77177.04*21.00175.8360.00*0.8562.73180.00-175.19
95F-127.74*21.00-125.29168.38*21.00161.01-60.00*0.85-61.30180.00169.14
96H-132.96*21.00-128.43140.92*21.00143.09-60.00*0.85-64.09180.00-179.24
97W-149.22*21.00-147.65172.75*21.00175.9360.00*0.8556.24180.00-175.84
98G-118.40*11.00-122.17-179.72*11.00177.29NONE0.00NONE180.00-179.75
99S-71.40*5.50-73.58-25.64*5.50-26.3960.00*0.8564.40180.00173.47
100T-108.50*11.00-110.09153.40*11.00161.1460.00*0.8572.42180.00-179.04
101N-75.35*5.50-75.42-8.81*5.50-14.90-60.00*0.85-62.24180.00-171.12
102E-111.99*5.50-94.99-10.27*5.50-24.3860.00*0.85-61.02180.00-175.10
103H-133.03*21.00-134.5293.75*21.0099.76-60.00*0.85-65.68180.00-174.88
104G-151.98*21.00-154.317.68*21.001.53NONE0.00NONE180.00176.46
105S-77.13*21.00-72.20168.75*21.00165.8460.00*0.8578.76180.00172.33
106E-94.59*5.50-91.94-56.16*5.50-66.09-60.00*0.85-57.80180.00170.36
107H-78.43*11.00-69.47152.16*11.00148.93-60.00*0.85-60.21180.00169.94
108T-128.39*11.00-116.82157.70*11.00163.2960.00*0.8561.52180.00175.70
109V-127.53*11.00-130.82120.58*11.00116.22180.00*0.85-176.36180.00-173.19
110D52.28*11.0050.7640.34*11.0040.13-60.00*0.85-72.49180.00176.55
111G71.85*31.0088.273.45*31.000.50NONE0.00NONE180.00-176.24
112V-88.57*31.00-99.75118.00*31.00120.91180.00*0.85169.74180.00172.35
113K-94.31*31.00-84.89130.57*31.00132.72180.00*0.85-170.59180.00175.28
114Y-92.41*21.00-91.22174.03*21.00-171.33-60.00*0.85-74.10180.00-171.72
115S-70.98*15.50-78.40-36.47*15.50-36.74-60.00*0.85-57.62180.00-173.65
116A-160.78*21.00-169.59173.12*21.00177.57NONE0.00NONE180.00-175.93
117E-141.36*21.00-150.80132.86*21.00135.40180.00*0.85-168.50180.00177.01
118L-96.80*21.00-100.73129.51*21.00129.55180.00*0.85164.05180.00175.16
119H-119.99*21.00-115.22123.66*21.00125.65-60.00*0.85-67.29180.00179.96
120V-113.05*31.00-116.36112.17*31.00110.41180.00*0.85-177.45180.00-161.39
121A-114.98*31.00-108.83143.14*31.00145.24NONE0.00NONE180.00-173.72
122H-139.11*21.00-141.70154.08*21.00153.76-60.00*0.85-52.31180.00179.90
123W-124.58*11.00-127.70155.67*11.00158.1960.00*0.8565.43180.00-169.71
124N-75.82*21.00-88.9887.64*21.0094.32180.00*0.85-175.08180.00173.35
125S-66.01*31.00-72.09-33.76*31.00-21.29180.00*0.8553.99180.00178.01
126A-70.25*31.00-66.85-52.00*31.00-42.07NONE0.00NONE180.00-176.69
127K-81.71*21.00-97.70-24.82*21.00-26.90-60.00*0.85-59.64180.00-170.30
128Y-131.41*11.00-126.95162.81*11.00156.00-60.00*0.85-58.27180.00-176.35
131L-58.09*5.50-60.67-38.96*5.50-39.98180.00*0.85178.18180.00-176.59
132A-51.81*5.50-59.47-52.61*5.50-38.21NONE0.00NONE180.00176.49
133E-68.11*5.50-67.84-44.90*5.50-47.30-60.00*0.85-173.10180.00-173.18
134A-70.63*5.50-67.30-25.15*5.50-32.82NONE0.00NONE180.00-169.86
135A-57.76*5.50-52.84-27.81*5.50-25.37NONE0.00NONE180.00-174.66
136S-101.34*5.50-109.18-3.27*5.50-1.0460.00*0.8568.55180.00-178.73
137K-90.85*11.00-91.43150.69*11.00146.67-60.00*0.85-57.38180.00-174.67
138A-57.81*5.50-56.07-37.56*5.50-37.08NONE0.00NONE180.00174.76
139D-98.20*5.50-98.2510.89*5.5014.8260.00*0.8562.08180.00-170.40
140G-56.38*5.50-72.43-56.54*5.50-33.95NONE0.00NONE180.00-171.29
141L-114.78*11.00-124.15149.31*11.00148.29-60.00*0.85-51.94180.00173.18
142A-129.44*11.00-127.55123.06*11.00123.16NONE0.00NONE180.00177.66
143V-125.48*11.00-126.49129.11*11.00132.55180.00*0.85177.36180.00174.69
144I-93.42*11.00-92.82123.63*11.00121.79-60.00*0.85-62.32180.00173.90
145G-106.09*11.00-105.86127.21*11.00132.73NONE0.00NONE180.00178.17
146V-121.95*11.00-125.20123.13*11.00125.09180.00*0.85176.40180.00179.33
147L-77.93*21.00-75.78138.53*21.00144.74-60.00*0.85-68.86180.00-176.46
148M-114.99*11.00-123.12128.31*11.00125.34-60.00*0.85-62.04180.00-177.83
149K-110.73*11.00-109.55123.91*11.00125.93-60.00*0.85-68.81180.00178.32
150V-65.61*21.00-60.89136.74*21.00131.4960.00*0.8571.86180.00-179.75
151G176.65*31.00-175.87-128.60*31.00-133.85NONE0.00NONE180.00177.58
152E-62.37*31.00-63.02143.05*31.00147.45-60.00*0.85-69.69180.00176.30
153A-61.04*31.00-63.70145.91*31.00143.80NONE0.00NONE180.00-179.41
154N-101.92*31.00-106.99108.23*31.00111.17180.00*0.85179.14180.00-176.67
155P-70.65*31.00-68.53-18.39*31.00-24.8431.14*0.8519.05180.00177.89
156K-69.23*31.00-61.47-11.36*31.00-20.22-60.00*0.85-77.49180.00174.16
157L-89.90*21.00-79.26-10.00*21.00-8.43-60.00*0.85-67.68180.00-168.13
158Q-50.73*5.50-55.52-48.03*5.50-45.97180.00*0.85-163.28180.00-176.52
159K-60.52*5.50-58.66-36.95*5.50-35.49-60.00*0.85-79.89180.00-176.69
160V-67.12*5.50-73.31-44.83*5.50-46.00180.00*0.85164.47180.00172.90
161L-64.88*5.50-55.67-39.59*5.50-48.73-60.00*0.85-63.35180.00178.14
162D-65.09*5.50-58.13-35.35*5.50-39.44-60.00*0.85-60.35180.00175.61
163A-68.28*15.50-59.76-26.01*15.50-20.78NONE0.00NONE180.00-174.60
164L-61.12*15.50-64.35-24.15*15.50-26.28-60.00*0.85-58.36180.00-177.25
165Q-65.89*15.50-56.87-25.53*15.50-32.41-60.00*0.85-39.08180.00-173.26
166A-92.88*5.50-88.38-7.23*5.50-1.91NONE0.00NONE180.00-176.79
167I-130.43*11.00-136.8047.29*11.0043.7560.00*0.8560.87180.00-167.93
168K-60.30*5.50-64.85-37.10*5.50-30.02180.00*0.85172.36180.00-175.75
169T-113.63*11.00-117.08160.51*11.00157.1060.00*0.8555.85180.00178.97
170K-55.68*21.00-53.64132.66*21.00136.99180.00*0.85-163.31180.00-179.85
171G87.06*21.0088.05-5.84*21.00-15.45NONE0.00NONE180.00177.93
172K-79.32*21.00-71.04141.32*21.00148.36-60.00*0.85-70.29180.00171.47
173R-130.73*21.00-145.86155.31*21.00160.76-60.00*0.8568.08180.00-177.19
174A-150.98*21.00-149.40138.41*21.00149.63NONE0.00NONE180.00171.10
175P-55.25*21.00-61.21143.20*21.00144.34-29.47*0.85-13.14180.00176.61
176F-145.83*21.00-142.9498.39*21.00109.32180.00*0.85-171.80180.00-172.02
177T-119.74*21.00-131.05176.64*21.00170.1260.00*0.8577.07180.00174.10
178N47.80*21.0053.3251.41*21.0056.46-60.00*0.85-76.01180.00-173.30
179F-131.33*21.00-142.95134.08*21.00133.41180.00*0.85-166.18180.00178.86
180D-109.57*21.00-113.24113.94*21.00101.35180.00*0.85-177.49180.00179.89
181P-68.04*15.50-62.52-18.30*15.50-14.818.80*0.8522.92180.00172.26
182S-62.15*15.50-58.77-16.58*15.50-17.7360.00*0.8577.06180.00178.12
183T-71.43*15.50-64.87-17.11*15.50-25.4460.00*0.8566.23180.00176.59
184L-88.62*15.50-82.56-18.08*15.50-16.15-60.00*0.85-60.34180.00-176.86
185L-73.01*11.00-79.96153.67*11.00160.83-60.00*0.85-45.63180.00175.45
186P-67.70*11.00-66.92170.66*11.00162.052.35*0.8517.86180.00-177.43
187S-60.59*5.50-64.82-48.00*5.50-37.05180.00*0.8528.57180.00175.42
188S-108.96*11.00-113.44145.25*11.00144.8060.00*0.8557.84180.00-175.32
189L-115.13*11.00-112.0535.20*11.0025.24-60.00*0.85-61.77180.00165.92
190D-68.44*11.00-48.76148.50*11.00138.03-60.00*0.85-49.31180.00-170.79
191F-146.95*11.00-146.74167.76*11.00161.0760.00*0.8563.45180.00164.69
192W-113.66*11.00-108.45147.63*11.00149.87-60.00*0.85-62.32180.00177.00
193T-140.95*11.00-138.13146.56*11.00147.83180.00*0.85-178.68180.00174.03
194Y-159.70*11.00-159.52156.21*11.00157.2260.00*0.8577.21180.00179.55
195P-81.51*11.00-86.92129.42*11.00130.5835.86*0.8528.53180.00-173.43
196G-150.50*11.00-156.56-148.31*11.00-146.17NONE0.00NONE180.00-165.35
197S-138.55*21.00-138.90-175.74*21.00167.6160.00*0.8579.84180.00164.88
198L-72.27*21.00-61.34150.95*21.00150.10-60.00*0.85-63.93180.00-174.88
199T-95.39*21.00-95.685.78*21.009.8260.00*0.8567.39180.00173.71
200H-153.85*21.00-150.24162.36*21.00162.8060.00*0.8563.11180.00-179.97
202P-41.89*11.00-44.26138.69*11.00135.24-23.21*0.85-39.210.009.60
203L67.29*11.0057.7623.78*11.0026.15-60.00*0.85-63.71180.00-179.06
204Y-54.88*11.00-54.81136.98*11.00146.20-60.00*0.85-61.85180.00176.32
205E-96.20*21.00-95.1667.37*21.0069.75-60.00*0.85-63.96180.00-168.20
206S-119.77*21.00-126.7313.38*21.005.0160.00*0.8559.31180.00-170.82
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