Project name: 3ECA_MUT

Status: done

Started: 2024-04-21 00:25:29
Settings
Chain sequence(s) A: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY
C: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY
B: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY
D: LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:15:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:49)
Show buried residues

Minimal score value
-3.9548
Maximal score value
1.3377
Average score
-0.7148
Total score value
-932.1525

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 L A 0.8158
2 P A -0.3063
3 N A -0.6720
4 I A 0.0000
5 T A -0.6860
6 I A 0.0000
7 L A -0.8847
8 A A 0.0000
9 T A 0.0000
10 G A 0.0000
11 G A 0.0000
12 T A 0.0000
13 I A 0.0000
14 A A 0.0000
15 G A 0.0000
16 G A -1.0559
17 G A -1.4161
18 D A -2.0901
19 S A -1.2229
20 A A -0.8175
21 T A -0.9156
22 K A -1.3327
23 S A -1.0162
24 N A -1.1701
25 Y A 0.0000
26 T A -0.7993
27 A A -0.9521
28 G A -0.9871
29 K A -1.8435
30 V A -1.1828
31 G A -1.6599
32 V A 0.0000
33 E A -3.0044
34 N A -2.0853
35 L A 0.0000
36 V A 0.0000
37 N A -2.1745
38 A A -0.6038
39 V A 0.0000
40 P A -0.3307
41 Q A -0.6808
42 L A -1.1529
43 K A -2.2051
44 D A -1.5914
45 I A 0.7050
46 A A -0.4219
47 N A -1.5764
48 V A 0.0000
49 K A -2.5925
50 G A -2.5663
51 E A -2.7360
52 Q A -2.4771
53 V A -0.6957
54 V A 0.0000
55 N A -1.7661
56 I A 0.0000
57 G A 0.0000
58 S A -1.1691
59 Q A -1.5954
60 D A -2.3362
61 M A -1.4376
62 N A -0.9792
63 D A 0.0000
64 N A -1.1192
65 V A 0.0692
66 W A 0.0000
67 L A 0.0000
68 T A -1.1267
69 L A -0.8278
70 A A 0.0000
71 K A -2.8812
72 K A -2.9759
73 I A 0.0000
74 N A -2.9104
75 T A -2.7716
76 D A -3.5387
77 C A 0.0000
78 D A -3.9548
79 K A -3.7508
80 T A 0.0000
81 D A -3.0948
82 G A 0.0000
83 F A 0.0000
84 V A 0.0000
85 I A 0.0000
86 T A 0.0000
87 H A 0.0000
88 G A 0.0000
89 T A 0.0000
90 D A 0.0000
91 T A 0.0000
92 M A 0.0000
93 E A -0.4410
94 E A 0.0000
95 T A 0.0000
96 A A 0.0000
97 Y A 0.0000
98 F A 0.0000
99 L A 0.0000
100 D A 0.0000
101 L A 0.0000
102 T A 0.0000
103 V A 0.0000
104 K A -1.4396
105 C A -2.2224
106 D A -2.7510
107 K A -3.1868
108 P A -2.0521
109 V A 0.0000
110 V A 0.0000
111 M A 0.0000
112 V A 0.0000
113 G A 0.0000
114 A A 0.0000
115 M A 0.0000
116 R A 0.0000
117 P A 0.0000
118 S A -0.5422
119 T A -0.2764
120 S A 0.0478
121 M A 1.0500
122 S A 0.3526
123 A A 0.1480
124 D A 0.0180
125 G A 0.0000
126 P A 0.0000
127 F A 0.7747
128 N A 0.0000
129 L A 0.0000
130 Y A 0.2879
131 N A -0.1269
132 A A 0.0000
133 V A 0.0000
134 V A 0.0000
135 T A 0.0000
136 A A -0.6919
137 A A -1.1672
138 D A -2.3498
139 K A -2.7431
140 A A -1.4242
141 S A -1.3445
142 A A -1.6286
143 N A -2.1932
144 R A -1.6614
145 G A -1.1268
146 V A 0.0000
147 L A 0.0000
148 V A 0.0000
149 V A 0.0000
150 M A 0.0000
151 N A -0.1736
152 D A -0.2457
153 T A 0.0000
154 V A 0.0000
155 L A 0.0000
156 D A 0.0000
157 G A 0.0000
158 R A 0.0000
159 D A -1.1754
160 V A 0.0000
161 T A -0.3465
162 K A 0.0000
163 T A 0.0000
164 N A 0.0000
165 T A -0.0782
166 T A -0.0434
167 D A 0.0000
168 V A 0.0000
169 A A -0.0408
170 T A -0.1470
171 F A 0.0000
172 K A 0.0000
173 S A 0.0000
174 V A 0.1955
175 N A -0.1729
176 Y A 0.0000
177 G A 0.0000
178 P A 0.0000
179 L A 0.3314
180 G A 0.0000
181 Y A 0.0000
182 I A 0.1111
183 H A -0.7090
184 N A -1.6927
185 G A -1.2054
186 K A -0.8618
187 I A 0.2885
188 D A 0.0000
189 Y A 1.0730
190 Q A 0.0018
191 R A -0.1385
192 T A 0.0000
193 P A -0.4077
194 A A -0.5643
195 R A -1.2044
196 K A -2.1962
197 H A -1.5804
198 T A -1.3572
199 S A -1.8724
200 D A -2.2455
201 T A -1.2422
202 P A -0.8345
203 F A -1.1301
204 D A -2.1365
205 V A -1.5926
206 S A -1.9418
207 K A -2.7008
208 L A -2.0886
209 N A -2.1993
210 E A -2.4453
211 L A 0.0000
212 P A -1.5181
213 K A -2.2629
214 V A 0.0000
215 G A -0.4608
216 I A 0.0000
217 V A 0.0000
218 Y A 0.0000
219 N A -0.4551
220 Y A 0.0000
221 A A 0.0000
222 N A -1.8838
223 A A -1.2062
224 S A -1.3240
225 D A -2.2033
226 L A -1.2014
227 P A 0.0000
228 A A 0.0000
229 K A -1.8774
230 A A 0.0000
231 L A 0.0000
232 V A 0.0155
233 D A -1.3826
234 A A -0.7399
235 G A -0.6318
236 Y A -0.6862
237 D A -1.7405
238 G A 0.0000
239 I A 0.0000
240 V A 0.0000
241 S A 0.0000
242 A A 0.0000
243 G A 0.0133
244 V A 0.0000
245 G A -0.8772
246 N A -1.1792
247 G A -1.5518
248 N A -1.8264
249 L A 0.0402
250 Y A -0.3725
251 K A -1.3652
252 S A -1.0197
253 V A 0.0000
254 F A 0.7826
255 D A -1.0803
256 T A 0.0000
257 L A 0.2810
258 A A 0.0000
259 T A -1.0801
260 A A 0.0000
261 A A -1.0860
262 K A -2.0207
263 N A -1.8783
264 G A -1.7770
265 T A -1.4338
266 A A 0.0000
267 V A 0.0000
268 V A 0.0000
269 R A -0.5681
270 S A 0.0000
271 S A 0.0000
272 R A 0.0000
273 V A 0.0000
274 P A 0.0000
275 T A 0.0000
276 G A 0.0000
277 A A -0.2350
278 T A -0.6131
279 T A -1.2736
280 Q A -2.6479
281 D A -3.0234
282 A A -2.1823
283 E A -2.3130
284 V A -1.6812
285 D A -2.8374
286 D A -1.8229
287 A A -1.5774
288 K A -2.1001
289 Y A -1.0792
290 G A 0.0000
291 F A -0.3151
292 V A 0.2602
293 A A 0.1038
294 S A 0.0000
295 G A 0.0000
296 T A 0.2342
297 L A 0.6428
298 N A 0.0000
299 P A 0.0000
300 Q A 0.0000
301 K A -0.1491
302 A A 0.0000
303 R A 0.0000
304 V A 0.0000
305 L A 0.0000
306 L A 0.0000
307 Q A 0.0000
308 L A 0.0000
309 A A 0.0000
310 L A -0.7587
311 T A -0.5702
312 Q A -1.5973
313 T A 0.0000
314 K A -2.5138
315 D A -1.8673
316 P A 0.0000
317 Q A -1.4893
318 Q A -1.7730
319 I A 0.0000
320 Q A -1.2348
321 Q A -1.7854
322 I A -0.7684
323 F A 0.0000
324 N A 0.0000
325 Q A 0.0000
326 Y A -0.0521
1 L B 0.6521
2 P B 0.0000
3 N B -1.1665
4 I B 0.0000
5 T B -1.2280
6 I B 0.0000
7 L B 0.0000
8 A B 0.0000
9 T B -0.4919
10 G B 0.0000
11 G B 0.0000
12 T B 0.0000
13 I B 0.0000
14 A B 0.0000
15 G B -0.8022
16 G B -0.9736
17 G B -1.7810
18 D B -2.3563
19 S B -1.8959
20 A B -1.6078
21 T B -1.7096
22 K B -2.4298
23 S B -2.2630
24 N B -2.1078
25 Y B -0.8869
26 T B -0.9764
27 A B -0.6419
28 G B -0.8930
29 K B -1.2617
30 V B -0.2300
31 G B 0.0000
32 V B 0.0000
33 E B -2.4875
34 N B -1.9881
35 L B 0.0000
36 V B 0.0000
37 N B -2.2193
38 A B -1.1489
39 V B -0.7460
40 P B -1.4236
41 Q B -1.5384
42 L B 0.0000
43 K B -2.7287
44 D B -2.4667
45 I B 0.0000
46 A B 0.0000
47 N B -2.2210
48 V B -2.1640
49 K B -2.7063
50 G B -2.3199
51 E B -2.5586
52 Q B -1.7768
53 V B 0.0000
54 V B 0.0000
55 N B -1.1247
56 I B 0.0000
57 G B 0.0000
58 S B -1.4960
59 Q B -2.5213
60 D B -2.6896
61 M B -1.6926
62 N B -1.9829
63 D B -1.7418
64 N B -1.5234
65 V B -0.6558
66 W B 0.0000
67 L B 0.0000
68 T B -1.0160
69 L B -1.0252
70 A B 0.0000
71 K B -2.1608
72 K B -2.4376
73 I B -1.7737
74 N B -2.1197
75 T B -2.4088
76 D B -3.2383
77 C B -3.3445
78 D B -3.7637
79 K B -3.4823
80 T B -2.8034
81 D B -2.2204
82 G B 0.0000
83 F B 0.0000
84 V B 0.0000
85 I B 0.0000
86 T B 0.0000
87 H B 0.0000
88 G B 0.0000
89 T B -0.2712
90 D B -0.6142
91 T B 0.0000
92 M B 0.0000
93 E B -0.4532
94 E B 0.0000
95 T B 0.0000
96 A B 0.0000
97 Y B 0.0000
98 F B 0.0000
99 L B 0.0000
100 D B -1.0204
101 L B 0.0000
102 T B 0.0000
103 V B 0.0000
104 K B -2.1833
105 C B -2.5671
106 D B -2.9357
107 K B -2.9065
108 P B -2.1527
109 V B 0.0000
110 V B 0.0000
111 M B 0.0000
112 V B 0.0000
113 G B 0.0000
114 A B 0.0000
115 M B 0.0000
116 R B -0.4275
117 P B -0.5267
118 S B 0.0000
119 T B -0.3550
120 S B -0.5093
121 M B 0.0485
122 S B -0.0045
123 A B -0.0351
124 D B -0.2470
125 G B -0.0218
126 P B 0.1305
127 F B 0.7039
128 N B -0.0828
129 L B 0.0000
130 Y B 0.0141
131 N B -0.0683
132 A B 0.0000
133 V B 0.0000
134 V B 0.0695
135 T B -0.9380
136 A B -0.9444
137 A B -0.9986
138 D B -2.4190
139 K B -2.4995
140 A B -1.3228
141 S B -0.8728
142 A B -0.7525
143 N B 0.0000
144 R B -2.5794
145 G B -1.4368
146 V B 0.0000
147 L B -0.3142
148 V B 0.0000
149 V B 0.0000
150 M B 0.0000
151 N B -1.0912
152 D B -1.2079
153 T B 0.0000
154 V B 0.0000
155 L B 0.0000
156 D B -0.3514
157 G B 0.0000
158 R B 0.0000
159 D B -0.7246
160 V B 0.0000
161 T B -0.1228
162 K B 0.0000
163 T B 0.0867
164 N B 0.0000
165 T B 0.1724
166 T B 0.0000
167 D B 0.0000
168 V B 0.4870
169 A B 0.0000
170 T B 0.0000
171 F B 0.0000
172 K B 0.0000
173 S B 0.1353
174 V B 0.2627
175 N B 0.1088
176 Y B 0.2138
177 G B 0.0000
178 P B 0.0000
179 L B 0.1225
180 G B 0.0000
181 Y B 0.0000
182 I B 0.0000
183 H B -0.6628
184 N B 0.0000
185 G B 0.0000
186 K B -1.7464
187 I B -0.4900
188 D B -0.6219
189 Y B 0.0506
190 Q B -0.2145
191 R B 0.0000
192 T B -0.5594
193 P B 0.0000
194 A B -1.4202
195 R B -1.9786
196 K B -2.5998
197 H B -2.2470
198 T B -1.5513
199 S B -1.8785
200 D B -1.9369
201 T B -1.2307
202 P B -0.6883
203 F B 0.0000
204 D B -1.5169
205 V B -1.7135
206 S B -1.5811
207 K B -2.4733
208 L B 0.0000
209 N B -2.2799
210 E B -2.6303
211 L B 0.0000
212 P B -1.5695
213 K B -1.8703
214 V B 0.0000
215 G B 0.0000
216 I B 0.0000
217 V B 0.0000
218 Y B 0.0000
219 N B 0.0000
220 Y B 0.0513
221 A B 0.0000
222 N B 0.0000
223 A B 0.0000
224 S B 0.0000
225 D B -2.2037
226 L B -1.3278
227 P B 0.0000
228 A B 0.0000
229 K B -2.1540
230 A B 0.0000
231 L B -1.1768
232 V B -1.4019
233 D B -2.2660
234 A B -1.6586
235 G B -1.5861
236 Y B 0.0000
237 D B -1.7756
238 G B 0.0000
239 I B 0.0000
240 V B 0.0000
241 S B 0.0000
242 A B 0.0000
243 G B 0.0000
244 V B 0.0000
245 G B 0.0000
246 N B 0.0000
247 G B -0.7282
248 N B -1.2598
249 L B 0.0000
250 Y B 0.0000
251 K B -0.2631
252 S B -0.4062
253 V B 0.0000
254 F B 1.3377
255 D B 0.0222
256 T B 0.0000
257 L B 0.4052
258 A B -0.0321
259 T B -0.7050
260 A B 0.0000
261 A B -1.1768
262 K B -2.2213
263 N B -1.8212
264 G B 0.0000
265 T B 0.0000
266 A B 0.0000
267 V B 0.0000
268 V B 0.0000
269 R B -0.7545
270 S B -0.5238
271 S B -0.4227
272 R B -0.4032
273 V B -0.0482
274 P B 0.0533
275 T B 0.0000
276 G B -0.0801
277 A B -0.1224
278 T B -0.3791
279 T B -0.7348
280 Q B -1.6800
281 D B -2.3399
282 A B -2.0460
283 E B -2.6352
284 V B -2.0651
285 D B -3.3638
286 D B -3.3004
287 A B -2.0829
288 K B -2.6421
289 Y B -1.9189
290 G B 0.0000
291 F B -0.8248
292 V B 0.0000
293 A B -0.4144
294 S B -0.6440
295 G B -0.3646
296 T B -0.1515
297 L B 0.2119
298 N B 0.0000
299 P B -0.1221
300 Q B 0.0000
301 K B -0.2567
302 A B 0.0000
303 R B 0.0000
304 V B 0.0000
305 L B 0.0000
306 L B 0.0000
307 Q B 0.0000
308 L B 0.0000
309 A B 0.0000
310 L B 0.0000
311 T B -1.5730
312 Q B -1.5529
313 T B -1.5454
314 K B -2.3668
315 D B -2.1078
316 P B -1.8306
317 Q B -2.2829
318 Q B -1.7984
319 I B 0.0000
320 Q B -1.4888
321 Q B -1.8249
322 I B -0.7623
323 F B -0.7580
324 N B -1.4908
325 Q B -1.4376
326 Y B 0.0284
1 L C 0.6522
2 P C 0.0000
3 N C -1.0448
4 I C 0.0000
5 T C 0.0000
6 I C -0.8465
7 L C 0.0000
8 A C 0.0000
9 T C -0.2544
10 G C -0.5191
11 G C 0.0000
12 T C 0.0000
13 I C -0.0312
14 A C -0.5336
15 G C 0.0000
16 G C -1.0494
17 G C -1.3342
18 D C -2.0796
19 S C -1.2292
20 A C -0.5988
21 T C -1.0954
22 K C -1.5388
23 S C -0.9968
24 N C -0.9940
25 Y C -0.1361
26 T C -0.2936
27 A C -0.1179
28 G C -0.7813
29 K C -1.1289
30 V C 0.3702
31 G C -0.6200
32 V C -0.9204
33 E C -1.8213
34 N C -1.6520
35 L C 0.0000
36 V C -1.8371
37 N C -2.1188
38 A C -1.0776
39 V C 0.0000
40 P C -1.0883
41 Q C -1.3262
42 L C 0.0000
43 K C -2.8771
44 D C -2.3736
45 I C 0.0000
46 A C -1.5153
47 N C -2.1242
48 V C -1.9691
49 K C -2.6366
50 G C -2.2330
51 E C -2.0279
52 Q C 0.0000
53 V C 0.8441
54 V C 0.0000
55 N C -1.3819
56 I C 0.0000
57 G C -1.5426
58 S C 0.0000
59 Q C -2.0456
60 D C -2.7655
61 M C -1.3790
62 N C -1.5759
63 D C -1.5274
64 N C -1.9088
65 V C 0.0000
66 W C 0.0000
67 L C -1.0069
68 T C -0.9448
69 L C 0.0000
70 A C 0.0000
71 K C -2.3077
72 K C -2.1122
73 I C 0.0000
74 N C -2.3547
75 T C -1.8054
76 D C -2.2212
77 C C -2.8001
78 D C -3.3185
79 K C -3.2633
80 T C 0.0000
81 D C -1.6989
82 G C 0.0000
83 F C 0.0000
84 V C 0.0000
85 I C 0.0000
86 T C 0.0426
87 H C 0.0000
88 G C 0.0000
89 T C -0.5013
90 D C 0.0000
91 T C 0.0000
92 M C 0.0000
93 E C 0.0000
94 E C 0.0000
95 T C 0.0000
96 A C 0.0000
97 Y C 0.0000
98 F C 0.0000
99 L C 0.0000
100 D C 0.0000
101 L C 0.0000
102 T C 0.0000
103 V C 0.0000
104 K C -3.1417
105 C C 0.0000
106 D C -3.1646
107 K C -2.8599
108 P C 0.0000
109 V C 0.0000
110 V C 0.0000
111 M C 0.0000
112 V C 0.0000
113 G C 0.0000
114 A C -0.0805
115 M C 0.0000
116 R C -0.5154
117 P C -0.2435
118 S C 0.0331
119 T C -0.2076
120 S C -0.2241
121 M C 0.6143
122 S C -0.0339
123 A C 0.0000
124 D C 0.0000
125 G C 0.0000
126 P C 0.0000
127 F C 0.2906
128 N C 0.0000
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130 Y C -0.2526
131 N C 0.0000
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134 V C 0.1509
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137 A C -0.8520
138 D C -1.8184
139 K C -2.8666
140 A C -1.5228
141 S C 0.0000
142 A C 0.0000
143 N C -2.4170
144 R C -2.3133
145 G C 0.0000
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148 V C 0.0000
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150 M C 0.0000
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153 T C 0.0000
154 V C 0.0000
155 L C 0.0000
156 D C 0.0000
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159 D C 0.0000
160 V C 0.0000
161 T C -0.0543
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164 N C -0.2925
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166 T C -0.3640
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175 N C 0.0122
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177 G C 0.0000
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181 Y C 0.0311
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183 H C -0.8660
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185 G C -1.5894
186 K C -1.9441
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195 R C -1.6635
196 K C -2.1764
197 H C 0.0000
198 T C 0.0000
199 S C -2.8758
200 D C -3.2403
201 T C -2.1127
202 P C -1.3728
203 F C 0.0000
204 D C -2.2236
205 V C -1.4897
206 S C -1.5272
207 K C -2.3104
208 L C -1.4381
209 N C -2.3553
210 E C -2.8011
211 L C -1.5891
212 P C -1.0345
213 K C -1.9622
214 V C 0.0000
215 G C -1.1205
216 I C 0.0000
217 V C 0.0000
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219 N C 0.0000
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223 A C -1.2180
224 S C -1.3386
225 D C -1.6680
226 L C -0.5686
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229 K C -1.0085
230 A C -0.6759
231 L C 0.0000
232 V C 0.0000
233 D C -1.4098
234 A C -1.0354
235 G C -1.2140
236 Y C 0.0000
237 D C -2.2946
238 G C 0.0000
239 I C 0.0000
240 V C 0.0000
241 S C -0.3817
242 A C 0.0000
243 G C 0.0000
244 V C 0.0000
245 G C 0.0000
246 N C -0.7319
247 G C -0.7891
248 N C -1.4940
249 L C -0.7484
250 Y C 0.0000
251 K C -1.5682
252 S C -0.9673
253 V C 0.0016
254 F C 0.8348
255 D C -0.9257
256 T C -0.3525
257 L C 0.1594
258 A C -0.0648
259 T C -0.3556
260 A C -0.5990
261 A C -0.7923
262 K C -2.2063
263 N C 0.0000
264 G C -0.8479
265 T C -0.3469
266 A C 0.0000
267 V C 0.0000
268 V C 0.0000
269 R C 0.0000
270 S C 0.0000
271 S C 0.0000
272 R C -0.4247
273 V C 0.0000
274 P C -0.1362
275 T C -0.1069
276 G C -0.0877
277 A C -0.0727
278 T C -0.1209
279 T C -0.4003
280 Q C 0.0000
281 D C -1.8367
282 A C -1.7563
283 E C -2.5266
284 V C -2.0688
285 D C -3.3233
286 D C -3.1621
287 A C -2.0351
288 K C -2.5632
289 Y C -1.5682
290 G C 0.0000
291 F C 0.0000
292 V C 0.2618
293 A C 0.0000
294 S C 0.0000
295 G C 0.0000
296 T C 0.0000
297 L C 0.0000
298 N C 0.0000
299 P C 0.0000
300 Q C 0.0000
301 K C -0.1693
302 A C 0.0000
303 R C 0.0000
304 V C 0.0000
305 L C 0.0000
306 L C 0.0000
307 Q C 0.0000
308 L C 0.0000
309 A C 0.0000
310 L C 0.6366
311 T C -0.3940
312 Q C -0.7117
313 T C -1.2309
314 K C -2.0515
315 D C -1.8796
316 P C -1.5221
317 Q C -2.8324
318 Q C -2.4365
319 I C 0.0000
320 Q C 0.0000
321 Q C -1.9499
322 I C -0.9477
323 F C 0.0000
324 N C -1.0575
325 Q C 0.0000
326 Y C 0.0000
1 L D -0.0066
2 P D 0.0000
3 N D -1.1129
4 I D 0.0000
5 T D -0.7186
6 I D -0.0143
7 L D 0.0000
8 A D -0.1029
9 T D 0.0000
10 G D -1.0370
11 G D 0.0000
12 T D 0.0000
13 I D 0.0000
14 A D 0.0000
15 G D 0.0000
16 G D -1.1171
17 G D -1.4060
18 D D -2.1362
19 S D -1.4297
20 A D -0.9751
21 T D -1.2247
22 K D -2.0423
23 S D -0.8852
24 N D -0.9546
25 Y D 0.0000
26 T D -0.6419
27 A D -0.7375
28 G D -1.0678
29 K D -1.7911
30 V D -0.7951
31 G D -0.8689
32 V D 0.0000
33 E D -1.8974
34 N D -1.5502
35 L D 0.0000
36 V D -1.5007
37 N D -1.7359
38 A D -0.9949
39 V D 0.0000
40 P D -0.6280
41 Q D -0.7593
42 L D -1.1808
43 K D -2.4427
44 D D -2.5018
45 I D 0.0000
46 A D -1.6394
47 N D -2.2989
48 V D -1.8493
49 K D -2.8536
50 G D -2.0374
51 E D -2.0411
52 Q D -0.8547
53 V D 0.9224
54 V D -0.0639
55 N D -1.1195
56 I D -1.0235
57 G D 0.0000
58 S D -1.1661
59 Q D -1.7917
60 D D -1.4624
61 M D 0.0000
62 N D -1.3425
63 D D -1.3931
64 N D -1.7832
65 V D -0.4643
66 W D -0.6766
67 L D -1.3801
68 T D -1.1433
69 L D 0.0000
70 A D 0.0000
71 K D -2.5812
72 K D -2.1391
73 I D 0.0000
74 N D -2.0064
75 T D -2.1709
76 D D -2.7270
77 C D 0.0000
78 D D -3.5043
79 K D -3.3501
80 T D 0.0000
81 D D -1.8696
82 G D 0.0000
83 F D 0.0000
84 V D 0.0000
85 I D 0.0000
86 T D 0.0000
87 H D 0.0000
88 G D 0.0000
89 T D 0.0000
90 D D -0.5103
91 T D 0.0000
92 M D 0.0000
93 E D -0.3795
94 E D 0.0000
95 T D 0.0000
96 A D -0.0967
97 Y D 0.0000
98 F D 0.0000
99 L D 0.0000
100 D D -0.6117
101 L D -0.3005
102 T D 0.0000
103 V D 0.0000
104 K D -1.1954
105 C D -1.8154
106 D D -2.8190
107 K D -3.0330
108 P D -1.4192
109 V D -0.6422
110 V D 0.0000
111 M D 0.0000
112 V D 0.0000
113 G D -0.4560
114 A D -0.2721
115 M D 0.0000
116 R D -0.6566
117 P D -0.4555
118 S D -0.5892
119 T D -0.6401
120 S D -0.8498
121 M D -0.5465
122 S D -0.2600
123 A D -0.8153
124 D D -1.3446
125 G D -0.5493
126 P D -0.0219
127 F D 1.0360
128 N D -0.6402
129 L D 0.0000
130 Y D 0.1189
131 N D -0.5681
132 A D 0.0000
133 V D 0.0000
134 V D 0.0000
135 T D -0.8429
136 A D -0.3913
137 A D -0.7282
138 D D -1.5101
139 K D -2.0855
140 A D -1.3538
141 S D -1.4088
142 A D -1.4669
143 N D -2.2079
144 R D -2.7853
145 G D -1.6662
146 V D 0.0000
147 L D 0.0000
148 V D 0.0000
149 V D 0.4437
150 M D 0.0000
151 N D -1.9407
152 D D -2.0334
153 T D -1.0262
154 V D -0.2012
155 L D 0.0000
156 D D -0.1406
157 G D 0.0000
158 R D -0.2374
159 D D 0.0000
160 V D 0.0000
161 T D 0.0000
162 K D 0.0000
163 T D -0.2296
164 N D -0.3354
165 T D -0.4862
166 T D 0.0000
167 D D 0.0000
168 V D 0.0638
169 A D 0.0000
170 T D 0.0000
171 F D 0.0000
172 K D -0.2251
173 S D -0.1327
174 V D 0.0000
175 N D 0.0000
176 Y D 0.0000
177 G D 0.0000
178 P D 0.0000
179 L D 0.0000
180 G D 0.0000
181 Y D 0.1263
182 I D 0.0000
183 H D -1.6414
184 N D -2.3856
185 G D -1.9354
186 K D -0.8668
187 I D 0.7132
188 D D -0.7867
189 Y D -0.3767
190 Q D -1.0892
191 R D 0.0000
192 T D -0.8693
193 P D -1.0102
194 A D -1.3476
195 R D -2.6092
196 K D -2.8426
197 H D 0.0000
198 T D -1.8109
199 S D -1.6871
200 D D -2.1105
201 T D -1.3583
202 P D -0.7186
203 F D -0.5292
204 D D -1.0855
205 V D 0.0000
206 S D 0.0000
207 K D -2.6900
208 L D -1.7517
209 N D -2.5964
210 E D -2.7940
211 L D 0.0000
212 P D -1.3485
213 K D -1.8057
214 V D 0.0000
215 G D 0.0000
216 I D 0.0000
217 V D 0.0000
218 Y D 0.0000
219 N D 0.0000
220 Y D -0.2248
221 A D 0.0000
222 N D -1.7423
223 A D -1.1934
224 S D -1.3055
225 D D -2.1916
226 L D 0.0000
227 P D 0.0000
228 A D -0.7896
229 K D -1.5524
230 A D 0.0000
231 L D 0.0000
232 V D -0.2170
233 D D -1.3810
234 A D -1.1338
235 G D -0.8540
236 Y D -1.2719
237 D D -2.2183
238 G D 0.0000
239 I D 0.0000
240 V D 0.0000
241 S D 0.0000
242 A D 0.0000
243 G D 0.0000
244 V D 0.0000
245 G D 0.0000
246 N D -0.3934
247 G D 0.0000
248 N D -0.4197
249 L D 0.0000
250 Y D -0.6775
251 K D -1.5731
252 S D -1.2127
253 V D -0.6763
254 F D -0.1225
255 D D -1.3735
256 T D -0.4896
257 L D 0.0000
258 A D -0.9750
259 T D -1.1052
260 A D 0.0000
261 A D -1.6244
262 K D -2.3500
263 N D -2.3903
264 G D -1.8898
265 T D -0.9073
266 A D -0.7841
267 V D 0.0000
268 V D 0.0000
269 R D 0.0000
270 S D 0.0000
271 S D -0.1711
272 R D -0.2496
273 V D 0.0045
274 P D 0.0888
275 T D 0.0000
276 G D -0.0215
277 A D 0.0000
278 T D -0.4200
279 T D -1.0559
280 Q D -1.2374
281 D D -2.3071
282 A D -2.1269
283 E D -2.6733
284 V D -2.1725
285 D D -3.3232
286 D D -3.3957
287 A D -2.1144
288 K D -2.6123
289 Y D -1.8135
290 G D -1.9604
291 F D -0.7408
292 V D 0.0000
293 A D -0.1130
294 S D -0.3547
295 G D 0.0000
296 T D 0.0000
297 L D 0.0686
298 N D 0.0000
299 P D 0.0000
300 Q D 0.0000
301 K D -0.2022
302 A D 0.0000
303 R D 0.0000
304 V D 0.0000
305 L D -0.0154
306 L D 0.0000
307 Q D 0.0000
308 L D 0.0000
309 A D 0.0000
310 L D -0.6080
311 T D -0.8769
312 Q D -1.5524
313 T D -1.7177
314 K D -2.7077
315 D D -2.2954
316 P D -1.9812
317 Q D -2.4450
318 Q D -2.0836
319 I D 0.0000
320 Q D -2.0755
321 Q D -2.1666
322 I D 0.0000
323 F D -0.6129
324 N D -1.0253
325 Q D 0.0000
326 Y D -0.9288
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Laboratory of Theory of Biopolymers 2018