Project name: VRS3.1 A3D

Status: done

Started: 2026-04-18 05:07:23
Settings
Chain sequence(s) A: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYGISWVRQAPGQGLEWMGWISAYNGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARSDGYYYGMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
C: EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQSSNWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLVQSGAEVKKPGASVKVSCKASGYTFTDYYIHWVRQAPGQGLEWMGWIYPGDGQTKYNEKFQGRVTISADKSTSTAYLELSSLRSEDTAVYYCAREPRGATLYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
D: DIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQYTSAPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
input PDB
Selected Chain(s) A,B,C,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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:17)
Show buried residues

Minimal score value
-3.8899
Maximal score value
2.2858
Average score
-0.7174
Total score value
-954.9048

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 Q A -1.4503
2 V A -0.9107
3 Q A -1.5737
4 L A 0.0000
5 V A -0.7458
6 Q A 0.0000
7 S A -0.8029
8 G A -0.6536
9 A A -0.0960
10 E A -0.4856
11 V A 0.4224
12 K A -0.6107
13 K A -1.0473
14 P A -1.3568
15 G A -1.4420
16 A A -0.9162
17 S A -1.3509
18 V A 0.0000
19 K A -2.0251
20 V A 0.0000
21 S A -0.7957
22 C A 0.0000
23 K A -1.7349
24 A A 0.0000
25 S A -1.0720
26 G A -0.8122
27 Y A -0.2790
28 T A 0.1031
29 F A 0.0000
30 T A 0.2089
31 S A 0.1615
32 Y A 0.4736
33 G A 0.0000
34 I A 0.0000
35 S A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A -0.5296
40 A A -0.9267
41 P A -0.7947
42 G A -1.2532
43 Q A -1.8394
44 G A -1.2525
45 L A 0.0000
46 E A -0.6201
47 W A 0.0000
48 M A 0.0000
49 G A 0.0000
50 W A -0.1577
51 I A 0.0000
52 S A -0.5212
53 A A 0.0000
54 Y A 0.3354
55 N A -1.1633
56 G A -1.2715
57 N A -1.6700
58 T A -0.9576
59 N A -0.5306
60 Y A -0.5079
61 A A 0.0000
62 Q A -2.5668
63 K A -2.7202
64 L A 0.0000
65 Q A -2.3856
66 G A -1.6872
67 R A -1.5378
68 V A 0.0000
69 T A -0.6131
70 M A 0.0000
71 T A -0.5489
72 T A -0.7218
73 D A -0.9008
74 T A -0.5190
75 S A -0.5110
76 T A -0.7385
77 S A -0.8674
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6527
81 M A 0.0000
82 E A -1.4035
83 L A 0.0000
84 R A -1.5775
85 S A -1.1955
86 L A 0.0000
87 R A -2.2833
88 S A -1.8550
89 D A -2.2539
90 D A 0.0000
91 T A -0.6462
92 A A 0.0000
93 V A 0.3500
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 S A 0.0000
100 D A 0.0462
101 G A 0.2001
102 Y A 1.2445
103 Y A 0.8142
104 Y A 0.5805
105 G A 0.0000
106 M A 0.0000
107 D A -0.3660
108 Y A -0.0801
109 W A -0.3984
110 G A 0.0000
111 Q A -1.4015
112 G A -0.6447
113 T A 0.0000
114 L A 0.3059
115 V A 0.0000
116 T A -0.2410
117 V A 0.0000
118 S A -0.6849
119 S A -0.4926
120 A A -0.2220
121 S A -0.2097
122 T A -0.1564
123 K A -0.5835
124 G A 0.0000
125 P A 0.0000
126 S A -0.1815
127 V A -0.2094
128 F A 0.0000
129 P A -1.0787
130 L A 0.0000
131 A A -1.0120
132 P A 0.0000
133 S A -0.7633
134 S A -0.5318
135 K A -0.9405
136 S A 0.0000
137 T A -0.6468
138 S A -0.6855
139 G A -0.8165
140 G A -0.8796
141 T A -0.6186
142 A A 0.0000
143 A A 0.0000
144 L A 0.0000
145 G A 0.0000
146 C A 0.0000
147 L A 0.0000
148 V A 0.0000
149 K A 0.0000
150 D A -0.0923
151 Y A 0.0000
152 F A 0.0000
153 P A 0.0000
154 E A -0.4937
155 P A -0.8054
156 V A -0.5527
157 T A -0.3963
158 V A 0.0717
159 S A -0.0292
160 W A 0.0000
161 N A 0.0000
162 S A -0.3068
163 G A -0.3209
164 A A -0.4598
165 L A -0.0067
166 T A -0.0724
167 S A -0.1690
168 G A -0.1746
169 V A 0.1732
170 H A -0.3075
171 T A -0.0110
172 F A 0.0000
173 P A -0.3330
174 A A 0.1887
175 V A 0.5544
176 L A 1.0949
177 Q A 0.3613
178 S A -0.2405
179 S A -0.3131
180 G A 0.1178
181 L A 0.2813
182 Y A 0.4675
183 S A 0.0000
184 L A 0.0000
185 S A 0.0000
186 S A 0.0000
187 V A 0.0000
188 V A 0.0000
189 T A -0.1269
190 V A 0.0000
191 P A -0.6221
192 S A -0.5781
193 S A -0.5767
194 S A -0.5624
195 L A -0.7767
196 G A -0.9508
197 T A -0.6976
198 Q A -1.2195
199 T A -0.9247
200 Y A 0.0000
201 I A 0.0000
202 C A 0.0000
203 N A 0.0000
204 V A 0.0000
205 N A -1.1082
206 H A 0.0000
207 K A -2.5543
208 P A -1.5466
209 S A -1.4900
210 N A -2.2542
211 T A -1.4713
212 K A -1.2281
213 V A -0.1150
214 D A 0.0000
215 K A -0.7504
216 K A -1.0772
217 V A 0.0000
218 E A -2.4440
219 P A -1.5025
220 K A -1.8081
221 S A -1.2110
222 C A -0.9792
223 D A -2.6686
224 K A -2.9297
225 T A -2.2832
226 H A -1.8086
227 T A -0.8992
228 C A -0.3352
229 P A -0.2604
230 P A -0.0387
231 C A 0.2447
232 P A -0.3735
233 A A -0.4424
234 P A -1.4999
235 E A -2.4818
236 A A -1.4987
237 A A -1.2154
238 G A -0.9544
239 G A -0.6901
240 P A 0.0000
241 S A -0.0462
242 V A 0.0000
243 F A 1.0456
244 L A 0.8161
245 F A 1.1666
246 P A -0.0489
247 P A 0.0000
248 K A -1.9562
249 P A -1.3231
250 K A -1.0838
251 D A -1.0303
252 T A 0.0000
253 L A 0.0000
254 M A 0.3687
255 I A 1.5095
256 S A 0.1813
257 R A -0.7899
258 T A -0.5024
259 P A 0.0000
260 E A -0.6409
261 V A 0.0000
262 T A 0.3514
263 C A 0.0000
264 V A 0.0000
265 V A 0.0000
266 V A 0.0000
267 D A -1.3760
268 V A 0.0000
269 S A -2.2571
270 H A -2.5927
271 E A -2.9718
272 D A -2.5907
273 P A -2.7279
274 E A -3.1305
275 V A -2.0595
276 K A -2.2282
277 F A -1.1684
278 N A -1.1722
279 W A 0.0000
280 Y A -0.5293
281 V A -0.6814
282 D A -1.6868
283 G A -0.6933
284 V A 0.7149
285 E A -0.5465
286 V A -0.6753
287 H A -1.8364
288 N A -2.1236
289 A A -1.7300
290 K A -2.1599
291 T A -1.7907
292 K A -2.2625
293 P A -2.4608
294 R A -3.7690
295 E A -3.8899
296 E A -3.3806
297 Q A -1.4867
298 Y A 0.4933
299 N A -0.5178
300 S A -1.2229
301 T A 0.0000
302 Y A 0.0000
303 R A -2.7913
304 V A 0.0000
305 V A -1.0298
306 S A 0.0000
307 V A 0.0000
308 L A 0.0000
309 T A -0.4657
310 V A 0.0000
311 L A 0.5344
312 H A -0.1627
313 Q A -1.1394
314 D A -1.3112
315 W A 0.0000
316 L A -1.1874
317 N A -2.0830
318 G A -1.9962
319 K A -2.1193
320 E A -2.0054
321 Y A 0.0000
322 K A -1.6369
323 C A 0.0000
324 K A -1.6648
325 V A 0.0000
326 S A -1.5080
327 N A 0.0000
328 K A -2.5368
329 A A -1.4880
330 L A -0.6129
331 P A -0.4800
332 A A -0.4608
333 P A -1.0057
334 I A -0.7244
335 E A -2.1732
336 K A -1.3730
337 T A -1.0584
338 I A -0.2262
339 S A -1.1159
340 K A -1.2741
341 A A -1.2798
342 K A -2.3310
343 G A -2.0666
344 Q A -2.3086
345 P A -2.1279
346 R A -2.7655
347 E A -2.9814
348 P A 0.0000
349 Q A -1.5334
350 V A 0.0000
351 Y A 0.0000
352 T A 0.0000
353 L A 0.0000
354 P A -0.3695
355 P A -0.5343
356 S A 0.0000
357 R A -1.8729
358 D A -1.1202
359 E A 0.0000
360 L A -0.8588
361 T A -0.6973
362 K A -0.6998
363 N A -1.0716
364 Q A -1.1313
365 V A 0.0000
366 S A 0.0000
367 L A 0.0000
368 T A 0.0000
369 C A 0.0000
370 L A 0.0000
371 V A 0.0000
372 K A -0.6074
373 G A -1.2056
374 F A 0.0000
375 Y A -1.3226
376 P A 0.0000
377 S A -0.1464
378 D A -0.9364
379 I A 0.0000
380 A A 0.0000
381 V A 0.0000
382 E A -1.0232
383 W A 0.0000
384 E A -1.6439
385 S A -1.1551
386 N A -1.8551
387 G A -1.7466
388 Q A -2.3463
389 P A -2.0169
390 E A -1.9629
391 N A -2.2105
392 N A -1.7592
393 Y A -1.1108
394 K A -0.7765
395 T A -0.2156
396 T A 0.0000
397 P A -0.0828
398 P A 0.2317
399 V A 0.7013
400 L A 1.0741
401 D A -0.3499
402 S A -1.0903
403 D A -1.8910
404 G A -0.9265
405 S A 0.0000
406 F A 0.1750
407 F A 0.0000
408 L A 0.0000
409 Y A 0.0000
410 S A 0.0000
411 K A 0.0000
412 L A 0.0000
413 T A -0.8586
414 V A 0.0000
415 D A -1.7194
416 K A -1.6489
417 S A -1.7685
418 R A -1.6576
419 W A 0.0000
420 Q A -1.8648
421 Q A -1.8058
422 G A -0.8567
423 N A -0.4544
424 V A 0.8597
425 F A 0.0000
426 S A 0.0000
427 C A 0.0000
428 S A 0.0000
429 V A 0.0000
430 M A 0.0000
431 H A 0.0000
432 E A -1.1913
433 A A -1.7114
434 L A -1.5625
435 H A -1.7751
436 N A -1.6753
437 H A -1.1988
438 Y A -0.4494
439 T A -0.6709
440 Q A -0.9700
441 K A -1.0432
442 S A -0.3094
443 L A 0.0000
444 S A 0.2246
445 L A -0.0033
446 S A -0.5302
447 P A -0.8910
448 G A -1.8711
449 K A -2.5673
1 Q B -1.3010
2 V B -0.5570
3 Q B -0.8831
4 L B 0.0000
5 V B -0.1359
6 Q B 0.0000
7 S B -0.7983
8 G B -0.7794
9 A B -0.4847
10 E B -1.0226
11 V B -0.3809
12 K B -1.4574
13 K B -2.3132
14 P B -2.1165
15 G B -1.5257
16 A B -1.1211
17 S B -1.4082
18 V B 0.0000
19 K B -2.2037
20 V B 0.0000
21 S B -0.7478
22 C B 0.0000
23 K B -1.1633
24 A B 0.0000
25 S B -0.7711
26 G B -0.8325
27 Y B -0.4815
28 T B -0.5082
29 F B 0.0000
30 T B -1.5811
31 D B -1.7886
32 Y B -0.6752
33 Y B -0.2795
34 I B 0.0000
35 H B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B -0.4155
39 Q B -0.6728
40 A B -1.0305
41 P B -0.8638
42 G B -1.2247
43 Q B -1.8527
44 G B -1.3042
45 L B 0.0000
46 E B -0.7115
47 W B 0.0000
48 M B 0.0000
49 G B 0.0000
50 W B -0.3194
51 I B 0.0000
52 Y B -1.2713
53 P B 0.0000
54 G B -2.0840
55 D B -2.7701
56 G B -2.1056
57 Q B -2.1315
58 T B -1.3184
59 K B -1.5696
60 Y B -1.5319
61 N B -2.2263
62 E B -3.5191
63 K B -3.0702
64 F B 0.0000
65 Q B -2.8114
66 G B -1.7748
67 R B -1.6630
68 V B 0.0000
69 T B -1.0116
70 I B 0.0000
71 S B -0.7095
72 A B -1.3790
73 D B -1.8206
74 K B -2.4685
75 S B -1.3055
76 T B -1.1828
77 S B -1.3625
78 T B 0.0000
79 A B 0.0000
80 Y B -0.7557
81 L B 0.0000
82 E B -1.7136
83 L B 0.0000
84 S B -1.1916
85 S B -1.1788
86 L B 0.0000
87 R B -3.0248
88 S B -2.3631
89 E B -2.5164
90 D B 0.0000
91 T B -0.9487
92 A B 0.0000
93 V B 0.0951
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 A B 0.0000
98 R B 0.0000
99 E B 0.0000
100 P B -0.1040
101 R B -0.4224
102 G B 0.6122
103 A B 0.7688
104 T B 1.1472
105 L B 2.2510
106 Y B 2.2858
107 Y B 1.8720
108 Y B 1.5227
109 Y B 0.9657
110 G B 0.0000
111 M B 0.0000
112 D B -0.1098
113 V B -0.2548
114 W B 0.0000
115 G B 0.0000
116 Q B -1.5047
117 G B -0.8517
118 T B 0.0000
119 T B -0.2807
120 V B 0.0000
121 T B -0.8401
122 V B 0.0000
123 S B -1.3414
124 S B -1.1710
125 A B -0.6388
126 S B -0.6975
127 T B -0.6185
128 K B -1.2056
129 G B -1.2399
130 P B 0.0000
131 S B -0.4501
132 V B 0.0000
133 F B 0.0000
134 P B -0.9979
135 L B 0.0000
136 A B -1.1519
137 P B 0.0000
138 S B -0.8969
139 S B -0.5086
140 K B -0.8653
141 S B 0.0000
142 T B -0.6315
143 S B -0.6831
144 G B -0.7969
145 G B -0.7529
146 T B -0.5007
147 A B 0.0000
148 A B 0.0000
149 L B 0.0000
150 G B 0.0000
151 C B 0.0000
152 L B 0.0000
153 V B 0.0000
154 K B 0.0000
155 D B -0.4767
156 Y B 0.0000
157 F B 0.0000
158 P B -0.7952
159 E B -0.7548
160 P B -0.9278
161 V B -0.7054
162 T B -0.4917
163 V B 0.0286
164 S B -0.0193
165 W B 0.0000
166 N B 0.0000
167 S B -0.2096
168 G B -0.2149
169 A B -0.3975
170 L B 0.0445
171 T B -0.0620
172 S B -0.1824
173 G B -0.1886
174 V B 0.1755
175 H B -0.2995
176 T B -0.0015
177 F B 0.0000
178 P B -0.3558
179 A B 0.1003
180 V B 0.4432
181 L B 0.9071
182 Q B 0.1759
183 S B -0.1010
184 S B -0.2562
185 G B -0.0550
186 L B -0.0745
187 Y B 0.0000
188 S B 0.0000
189 L B 0.0000
190 S B 0.0000
191 S B 0.0000
192 V B 0.0000
193 V B 0.0000
194 T B -0.0955
195 V B 0.0000
196 P B -0.4215
197 S B -0.4775
198 S B 0.0000
199 S B 0.0000
200 L B -0.7893
201 G B -1.0511
202 T B -0.8263
203 Q B -1.1839
204 T B -0.9831
205 Y B 0.0000
206 I B 0.0000
207 C B 0.0000
208 N B 0.0000
209 V B 0.0000
210 N B -1.3245
211 H B 0.0000
212 K B -2.6333
213 P B -1.6480
214 S B -1.7065
215 N B -2.3983
216 T B -1.6995
217 K B -1.4961
218 V B -0.2735
219 D B 0.0000
220 K B -0.6606
221 K B -1.0894
222 V B 0.0000
223 E B -2.6014
224 P B -1.7917
225 K B -2.3851
226 S B -1.6263
227 C B -1.2768
228 D B -2.6674
229 K B -3.1270
230 T B -2.2964
231 H B -1.8956
232 T B -1.0627
233 C B -0.3255
234 P B -0.2756
235 P B -0.0877
236 C B 0.1118
237 P B -0.7043
238 A B -0.7652
239 P B -1.7826
240 E B -2.5354
241 A B -1.3970
242 A B -1.1648
243 G B -1.1119
244 G B -0.9003
245 P B 0.0000
246 S B -0.5155
247 V B 0.0000
248 F B 1.1024
249 L B 0.9290
250 F B 1.1398
251 P B -0.1012
252 P B 0.0000
253 K B -2.2020
254 P B -1.4665
255 K B -1.3246
256 D B 0.0000
257 T B 0.0000
258 L B 0.0000
259 M B 0.4230
260 I B 1.5612
261 S B 0.1853
262 R B -0.9120
263 T B -0.6299
264 P B 0.0000
265 E B -0.9813
266 V B 0.0000
267 T B 0.2336
268 C B 0.0000
269 V B 0.0000
270 V B 0.0000
271 V B -1.1553
272 D B -1.8480
273 V B 0.0000
274 S B -2.3368
275 H B -2.6823
276 E B -3.0033
277 D B -2.6471
278 P B -2.8103
279 E B -3.1482
280 V B -2.0531
281 K B -2.2316
282 F B -1.2342
283 N B -1.1054
284 W B 0.0000
285 Y B -0.5417
286 V B -0.6335
287 D B -1.7992
288 G B -0.7148
289 V B 0.6716
290 E B -0.5722
291 V B -0.4882
292 H B -1.8687
293 N B -2.1581
294 A B -1.8563
295 K B -2.3813
296 T B -1.8683
297 K B -2.2173
298 P B -2.4145
299 R B -3.6794
300 E B -3.8053
301 E B -3.4920
302 Q B -1.6962
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304 N B -0.7813
305 S B -1.2933
306 T B -2.1045
307 Y B 0.0000
308 R B -2.7126
309 V B 0.0000
310 V B -0.9696
311 S B 0.0000
312 V B 0.0000
313 L B 0.0000
314 T B -0.6792
315 V B -0.0944
316 L B 0.3159
317 H B 0.1120
318 Q B -0.4097
319 D B -0.9654
320 W B 0.0000
321 L B -0.6007
322 N B -1.2790
323 G B -1.6334
324 K B -1.7106
325 E B -1.8478
326 Y B 0.0000
327 K B -1.3818
328 C B 0.0000
329 K B -1.4949
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331 S B -1.5626
332 N B 0.0000
333 K B -2.5445
334 A B -1.5532
335 L B -1.0123
336 P B -0.8254
337 A B -0.8485
338 P B -1.3989
339 I B 0.0000
340 E B -2.1243
341 K B -1.0343
342 T B -0.8386
343 I B -0.0680
344 S B -1.0182
345 K B -1.2241
346 A B -1.2353
347 K B -2.2421
348 G B -1.9623
349 Q B -2.3702
350 P B -1.4442
351 R B 0.0000
352 E B -0.6438
353 P B 0.0000
354 Q B -0.3178
355 V B 0.0000
356 Y B 0.0000
357 T B 0.0000
358 L B 0.0000
359 P B -0.3370
360 P B -0.8779
361 S B -1.5788
362 R B -2.7148
363 D B -2.8566
364 E B 0.0000
365 L B -2.0243
366 T B -1.6192
367 K B -2.1207
368 N B -2.4105
369 Q B -2.1741
370 V B 0.0000
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372 L B 0.0000
373 T B 0.0000
374 C B 0.0000
375 L B 0.0000
376 V B 0.0000
377 K B -0.0608
378 G B 0.0000
379 F B 0.0000
380 Y B -0.4565
381 P B 0.0000
382 S B -0.0299
383 D B -1.1414
384 I B 0.0000
385 A B 0.0000
386 V B 0.0000
387 E B -1.5559
388 W B 0.0000
389 E B -1.8135
390 S B 0.0000
391 N B -2.0797
392 G B -1.8385
393 Q B -2.2670
394 P B -2.0449
395 E B -1.9633
396 N B -2.1698
397 N B -1.5133
398 Y B -1.1197
399 K B -0.7453
400 T B -0.2729
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403 P B 0.1962
404 V B 0.6731
405 L B 1.1902
406 D B -0.1334
407 S B -0.7413
408 D B -1.5087
409 G B -0.5327
410 S B 0.0000
411 F B 0.4600
412 F B 0.0000
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414 Y B 0.0000
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420 D B -2.3750
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426 Q B -2.2294
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428 N B -1.5289
429 V B -0.7982
430 F B 0.0000
431 S B -0.7497
432 C B 0.0000
433 S B 0.0000
434 V B 0.0000
435 M B 0.0000
436 H B 0.0000
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438 A B -0.6657
439 L B 0.0000
440 H B -0.9377
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442 H B -0.8336
443 Y B -0.1191
444 T B -0.2185
445 Q B -0.3718
446 K B -0.2977
447 S B -0.3320
448 L B 0.0000
449 S B -0.4021
450 L B -0.2249
451 S B -0.7123
452 P B -1.2669
453 G B -1.9352
454 K B -2.5107
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4 L C 0.0000
5 T C -0.7179
6 Q C 0.0000
7 S C -0.7155
8 P C -0.2470
9 A C -0.3213
10 T C -0.1093
11 L C -0.0832
12 S C -0.5556
13 L C -1.0934
14 S C -1.4764
15 P C -1.7157
16 G C -1.8675
17 E C -2.4863
18 R C -2.7620
19 A C 0.0000
20 T C -0.6536
21 L C 0.0000
22 S C -0.8695
23 C C 0.0000
24 R C -2.3097
25 A C 0.0000
26 S C -0.9434
27 Q C -1.4995
28 S C -1.2983
29 V C 0.0000
30 S C -0.6092
31 S C -0.3614
32 Y C 0.3119
33 L C 0.0000
34 A C 0.0000
35 W C 0.0000
36 Y C 0.0000
37 Q C 0.0000
38 Q C 0.0000
39 K C -1.3936
40 P C -1.3321
41 G C -1.4483
42 Q C -2.0230
43 A C -1.2496
44 P C 0.0000
45 R C -1.0622
46 L C 0.0000
47 L C 0.0000
48 I C 0.0000
49 Y C -0.5017
50 D C -0.5219
51 A C 0.0000
52 S C -1.2267
53 N C -1.7624
54 R C -1.9054
55 A C 0.0000
56 T C -0.8055
57 G C -0.6969
58 I C 0.0000
59 P C -0.4731
60 A C -0.4527
61 R C -0.8806
62 F C 0.0000
63 S C -0.8292
64 G C -0.8270
65 S C -0.8529
66 G C -1.1154
67 S C -1.0366
68 G C -1.1224
69 T C -1.7282
70 D C -2.1667
71 F C 0.0000
72 T C -0.7755
73 L C 0.0000
74 T C -0.6320
75 I C 0.0000
76 S C -1.5241
77 S C -1.8279
78 L C 0.0000
79 E C -2.2069
80 P C -1.6202
81 E C -2.2595
82 D C 0.0000
83 F C -0.5919
84 A C 0.0000
85 V C -0.0252
86 Y C 0.0000
87 Y C 0.0000
88 C C 0.0000
89 Q C 0.0000
90 Q C 0.0000
91 S C 0.2667
92 S C -0.1266
93 N C -0.8425
94 W C -0.2376
95 P C -0.6203
96 R C 0.0000
97 T C 0.0000
98 F C 0.1053
99 G C 0.0000
100 Q C -1.2437
101 G C 0.0000
102 T C 0.0000
103 K C -0.3856
104 V C 0.0000
105 E C 0.0000
106 I C -0.7859
107 K C -1.6620
108 R C -1.2093
109 T C -0.2286
110 V C 0.2979
111 A C 0.0210
112 A C -0.0825
113 P C 0.0000
114 S C -0.2084
115 V C 0.0000
116 F C 0.0000
117 I C 0.0000
118 F C 0.0000
119 P C -0.7514
120 P C 0.0000
121 S C 0.0000
122 D C -3.0762
123 E C -3.0100
124 Q C 0.0000
125 L C -1.8678
126 K C -2.2074
127 S C -1.3191
128 G C 0.0000
129 T C 0.0000
130 A C 0.0000
131 S C 0.0000
132 V C 0.0000
133 V C 0.0000
134 C C 0.0000
135 L C 0.0000
136 L C 0.0000
137 N C 0.0000
138 N C -0.7441
139 F C 0.0000
140 Y C 0.0000
141 P C -1.5300
142 R C -2.4781
143 E C -2.8994
144 A C -2.0692
145 K C -2.1371
146 V C -1.0148
147 Q C -0.7408
148 W C 0.0000
149 K C -0.6825
150 V C 0.0000
151 D C -1.9120
152 N C -1.5596
153 A C -0.3866
154 L C 0.3829
155 Q C -0.2970
156 S C -0.4700
157 G C -0.7847
158 N C 0.0000
159 S C -0.8568
160 Q C -1.0015
161 E C -1.3901
162 S C -0.7832
163 V C -0.7407
164 T C -1.1653
165 E C -2.2312
166 Q C -1.7988
167 D C -1.9070
168 S C -1.7219
169 K C -2.2396
170 D C -1.6861
171 S C -1.7418
172 T C 0.0000
173 Y C 0.0000
174 S C 0.0000
175 L C 0.0000
176 S C 0.0000
177 S C 0.0000
178 T C -0.4943
179 L C 0.0000
180 T C -0.2686
181 L C 0.0000
182 S C -0.7324
183 K C -1.1754
184 A C -1.5646
185 D C -1.7130
186 Y C 0.0000
187 E C -3.3062
188 K C -3.3720
189 H C -2.7163
190 K C -3.0530
191 V C -1.4034
192 Y C 0.0000
193 A C 0.0000
194 C C 0.0000
195 E C -0.7576
196 V C 0.0000
197 T C -1.1549
198 H C 0.0000
199 Q C -1.6642
200 G C -0.4230
201 L C -0.2280
202 S C -0.4555
203 S C -0.4528
204 P C -0.5769
205 V C -0.0702
206 T C -0.4685
207 K C -0.7318
208 S C -0.5868
209 F C 0.0000
210 N C -1.7483
211 R C -2.2810
212 G C -1.8089
213 E C -1.9984
214 C C -0.7128
1 D D -2.5007
2 I D 0.0000
3 Q D -2.3450
4 M D 0.0000
5 T D -1.3991
6 Q D 0.0000
7 S D -0.9314
8 P D -0.5877
9 S D -0.9658
10 S D -0.9343
11 L D -0.6285
12 S D -0.9628
13 A D 0.0000
14 S D -0.4614
15 V D 0.4625
16 G D -0.6914
17 D D -1.5903
18 R D -2.2989
19 V D 0.0000
20 T D -0.6243
21 I D 0.0000
22 T D -0.8332
23 C D 0.0000
24 R D -2.7032
25 A D 0.0000
26 S D -2.0035
27 Q D -2.2142
28 S D -1.2775
29 V D 0.0000
30 S D -0.7131
31 S D -0.5542
32 A D 0.0054
33 V D 0.0000
34 A D 0.0000
35 W D 0.0000
36 Y D 0.0000
37 Q D 0.0000
38 Q D 0.0000
39 K D -1.7681
40 P D -1.4979
41 G D -1.7017
42 K D -2.5905
43 A D -1.6365
44 P D 0.0000
45 K D -1.4270
46 L D 0.0000
47 L D 0.0000
48 I D 0.0000
49 Y D 0.4851
50 S D 0.1980
51 A D 0.0000
52 S D -0.3649
53 S D 0.2393
54 L D 0.4986
55 Y D 0.2730
56 S D -0.1862
57 G D -0.4423
58 V D 0.0000
59 P D -0.3215
60 S D -0.3811
61 R D -0.7191
62 F D 0.0000
63 S D -0.2677
64 G D -0.4495
65 S D -1.0395
66 R D -1.8023
67 S D -1.3851
68 G D -1.4624
69 T D -1.7036
70 D D -1.8941
71 F D 0.0000
72 T D -0.8486
73 L D 0.0000
74 T D -0.6025
75 I D 0.0000
76 S D -1.3305
77 S D -1.1287
78 L D 0.0000
79 Q D -0.9982
80 P D -0.6914
81 E D -1.4960
82 D D 0.0000
83 F D -0.5130
84 A D 0.0000
85 T D -1.0255
86 Y D 0.0000
87 Y D 0.0000
88 C D 0.0000
89 Q D 0.0000
90 Q D 0.0000
91 Y D 0.0000
92 T D -0.1526
93 S D -0.4747
94 A D -0.7990
95 P D -1.2028
96 W D 0.0000
97 T D -0.7690
98 F D -0.4120
99 G D 0.0000
100 Q D -1.6822
101 G D 0.0000
102 T D 0.0000
103 K D -1.8674
104 V D 0.0000
105 E D -1.1661
106 I D -0.3286
107 K D -1.3880
108 R D -1.1143
109 T D -0.1688
110 V D 0.3233
111 A D 0.0186
112 A D -0.0815
113 P D 0.0000
114 S D -0.2259
115 V D 0.0000
116 F D 0.0000
117 I D 0.0000
118 F D 0.0000
119 P D -0.7927
120 P D -0.8503
121 S D -1.9320
122 D D -3.2639
123 E D -3.2912
124 Q D 0.0000
125 L D -2.3444
126 K D -2.9345
127 S D -1.8425
128 G D -1.2931
129 T D -1.0430
130 A D 0.0000
131 S D 0.0000
132 V D 0.0000
133 V D 0.0000
134 C D 0.0000
135 L D 0.0000
136 L D 0.0000
137 N D 0.0000
138 N D -0.7854
139 F D 0.0000
140 Y D 0.0000
141 P D -1.6841
142 R D -2.8542
143 E D -3.1311
144 A D -2.3592
145 K D -2.5810
146 V D 0.0000
147 Q D -0.9236
148 W D 0.0000
149 K D -0.7050
150 V D 0.0000
151 D D -1.8838
152 N D -1.5590
153 A D -0.4048
154 L D 0.3328
155 Q D -0.3762
156 S D -0.4963
157 G D -0.8722
158 N D -0.7547
159 S D -1.0395
160 Q D -1.1746
161 E D -1.5651
162 S D -0.8456
163 V D -0.7862
164 T D -1.1955
165 E D -2.2939
166 Q D -1.8857
167 D D -1.9123
168 S D -1.6749
169 K D -2.2264
170 D D -1.6096
171 S D -1.6872
172 T D 0.0000
173 Y D 0.0000
174 S D 0.0000
175 L D 0.0000
176 S D 0.0000
177 S D 0.0000
178 T D -0.5692
179 L D 0.0000
180 T D -0.3829
181 L D -0.5994
182 S D -1.1438
183 K D -1.9393
184 A D -1.7499
185 D D -2.3615
186 Y D 0.0000
187 E D -3.2491
188 K D -3.4725
189 H D -2.7939
190 K D -3.0120
191 V D -1.4422
192 Y D 0.0000
193 A D 0.0000
194 C D 0.0000
195 E D -0.8713
196 V D 0.0000
197 T D -1.3343
198 H D 0.0000
199 Q D -1.7329
200 G D -0.4112
201 L D -0.2286
202 S D -0.4588
203 S D -0.4533
204 P D -0.6335
205 V D -0.1014
206 T D -0.5076
207 K D -0.7738
208 S D -0.6110
209 F D 0.0000
210 N D -1.7531
211 R D -2.2686
212 G D -1.7843
213 E D -1.9910
214 C D -0.9043
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Laboratory of Theory of Biopolymers 2018