Project name: BSA

Status: done

Started: 2024-12-06 11:31:07
Settings
Chain sequence(s) A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSSLHTLFGDELCKVASLRRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMRREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
input PDB
Selected Chain(s) A,B
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                                          (00:28:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:28:45)
Show buried residues

Minimal score value
-4.3345
Maximal score value
1.1448
Average score
-1.1804
Total score value
-1376.3185

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 D A -2.2088
2 T A -1.8285
3 H A -2.4584
4 K A -3.0600
5 S A 0.0000
6 E A -2.1673
7 I A 0.0000
8 A A 0.0000
9 H A -2.2348
10 R A -2.0249
11 F A -2.4667
12 K A -3.0922
13 D A -3.0831
14 L A -2.2701
15 G A -2.4582
16 E A -3.2540
17 E A -2.8493
18 H A -2.0895
19 F A 0.0000
20 K A -1.8515
21 G A 0.0000
22 L A 0.0000
23 V A 0.0000
24 L A 0.0000
25 I A 0.0000
26 A A 0.0000
27 F A 0.0000
28 S A 0.0000
29 Q A 0.0000
30 Y A 0.0000
31 L A 0.0000
32 Q A 0.0000
33 Q A -1.5068
34 C A 0.0000
35 P A -1.1441
36 F A -1.3662
37 D A -2.3440
38 E A -1.9388
39 H A 0.0000
40 V A -1.6160
41 K A -2.3110
42 L A -1.7321
43 V A 0.0000
44 N A -2.2907
45 E A -2.9130
46 L A 0.0000
47 T A 0.0000
48 E A -2.9794
49 F A -1.6356
50 A A 0.0000
51 K A -2.6168
52 T A -1.8464
53 C A 0.0000
54 V A -1.3261
55 A A -1.3599
56 D A -2.7586
57 E A -3.0930
58 S A -2.2249
59 H A -2.1773
60 A A -1.3431
61 G A -1.2864
62 C A 0.0000
63 E A -3.1672
64 K A -1.9224
65 S A -1.2644
66 L A -0.6575
67 H A -0.7208
68 T A 0.0000
69 L A 0.0000
70 F A -0.1289
71 G A 0.0000
72 D A -0.8564
73 E A -1.2544
74 L A 0.0000
75 C A -1.4353
76 K A -1.7904
77 V A 0.0000
78 A A -0.9662
79 S A -1.4127
80 L A 0.0000
81 R A -3.4885
82 E A -3.0079
83 T A -1.9778
84 Y A -1.8271
85 G A -2.6636
86 D A -3.0559
87 M A 0.0000
88 A A -2.8546
89 D A -3.3868
90 C A 0.0000
91 C A -2.5637
92 E A -3.2477
93 K A -3.7148
94 Q A -3.2357
95 E A -3.1348
96 P A -2.7231
97 E A -3.4895
98 R A -3.3149
99 N A 0.0000
100 E A -2.7971
101 C A -1.9327
102 F A 0.0000
103 L A -0.8123
104 S A -0.8361
105 H A -0.9894
106 K A 0.0000
107 D A -1.3754
108 D A 0.0000
109 S A -1.0480
110 P A -1.4912
111 D A -2.3091
112 L A -1.3469
113 P A -1.2796
114 K A -1.7305
115 L A -0.4197
116 K A -1.8504
117 P A -1.4061
118 D A -2.1637
119 P A -2.1560
120 N A -2.4567
121 T A -1.9274
122 L A -1.9537
123 C A 0.0000
124 D A -3.3718
125 E A -3.3265
126 F A -3.3570
127 K A -3.5634
128 A A -2.7960
129 D A -3.7418
130 E A -4.2896
131 K A -3.9841
132 K A -3.2962
133 F A 0.0000
134 W A 0.0000
135 G A -1.5673
136 K A -1.4656
137 Y A -0.5645
138 L A 0.0000
139 Y A 0.0000
140 E A -0.1272
141 I A -0.0067
142 A A 0.0000
143 R A 0.0000
144 R A -0.9268
145 H A -0.2516
146 P A 0.0000
147 Y A -0.1128
148 F A 0.0000
149 Y A 0.0000
150 A A 0.0000
151 P A 0.0000
152 E A -0.3450
153 L A 0.0000
154 L A 0.0000
155 Y A 0.0000
156 Y A 0.0000
157 A A 0.0000
158 N A -1.0626
159 K A -1.3006
160 Y A 0.0000
161 N A -1.7380
162 G A -1.5352
163 V A 0.0000
164 F A 0.0000
165 Q A -2.8582
166 E A -2.7653
167 C A 0.0000
168 C A 0.0000
169 Q A -2.6030
170 A A -2.4425
171 E A -3.0803
172 D A -3.0768
173 K A -2.4690
174 G A -1.5123
175 A A -0.9613
176 C A -1.2519
177 L A 0.0000
178 L A -0.8726
179 P A -1.2464
180 K A -1.6373
181 I A 0.0000
182 E A -3.0691
183 T A -2.4377
184 M A 0.0000
185 R A -2.5931
186 E A -3.0342
187 K A -2.6390
188 V A 0.0000
189 L A -0.1634
190 T A -0.7366
191 S A -0.6889
192 S A 0.0000
193 A A -0.3062
194 R A -0.5713
195 Q A 0.0000
196 R A -0.4801
197 L A -0.3631
198 R A -0.7133
199 C A 0.0000
200 A A -0.8421
201 S A 0.0000
202 I A -1.8624
203 Q A -2.0926
204 K A -2.0045
205 F A -1.4884
206 G A -1.9041
207 E A -2.8290
208 R A -2.9200
209 A A -1.6907
210 L A 0.0000
211 K A -2.2873
212 A A -1.3773
213 W A -0.7030
214 S A 0.0000
215 V A 0.0000
216 A A 0.0000
217 R A -0.7149
218 L A 0.0000
219 S A 0.0000
220 Q A 0.0000
221 K A 0.0000
222 F A 0.0000
223 P A 0.0000
224 K A -2.1062
225 A A 0.0000
226 E A -1.5467
227 F A -0.0508
228 V A 1.0273
229 E A -0.4038
230 V A 0.0000
231 T A -0.4054
232 K A -1.0172
233 L A 0.0000
234 V A 0.0000
235 T A -1.3437
236 D A -1.9362
237 L A -1.1799
238 T A 0.0000
239 K A -2.1752
240 V A 0.0000
241 H A 0.0000
242 K A -1.9041
243 E A -1.5591
244 C A 0.0000
245 C A 0.0000
246 H A -1.2433
247 G A -0.7998
248 D A -0.7592
249 L A 0.0000
250 L A 0.0000
251 E A -1.2617
252 C A 0.0000
253 A A 0.0000
254 D A -1.7129
255 D A -2.2447
256 R A 0.0000
257 A A -1.7108
258 D A -2.7911
259 L A 0.0000
260 A A 0.0000
261 K A -2.6814
262 Y A -1.6991
263 I A 0.0000
264 C A -2.4208
265 D A -2.5834
266 N A -2.0890
267 Q A -2.2594
268 D A -2.8001
269 T A -1.9722
270 I A 0.0000
271 S A 0.0000
272 S A -2.1455
273 K A -2.7722
274 L A 0.0000
275 K A -3.6718
276 E A -3.6701
277 C A 0.0000
278 C A -3.0871
279 D A -3.4858
280 K A -3.1529
281 P A -1.2677
282 L A -0.4679
283 L A 0.0000
284 E A -1.2560
285 K A -1.8744
286 S A 0.0000
287 H A -0.9286
288 C A -1.6207
289 I A 0.0000
290 A A -1.2296
291 E A -2.3375
292 V A 0.0000
293 E A -2.8954
294 K A -2.1340
295 D A 0.0000
296 A A -0.5773
297 I A -0.3612
298 P A -1.2405
299 E A -2.1629
300 N A -2.0011
301 L A -0.9604
302 P A -0.9643
303 P A -0.6989
304 L A -0.6550
305 T A -1.0779
306 A A -1.5936
307 D A -2.8706
308 F A 0.0000
309 A A 0.0000
310 E A -3.1670
311 D A -3.4522
312 K A -3.4402
313 D A -3.0547
314 V A 0.0000
315 C A -2.4427
316 K A -3.4985
317 N A -3.2672
318 Y A 0.0000
319 Q A -3.5602
320 E A -3.5103
321 A A -2.6215
322 K A -3.3734
323 D A -2.9954
324 A A -1.5186
325 F A -1.3714
326 L A -1.1092
327 G A -0.8838
328 S A -0.2961
329 F A 0.0000
330 L A 0.0000
331 Y A 0.0000
332 E A -0.7142
333 Y A 0.0000
334 S A 0.0000
335 R A -0.9129
336 R A -0.4651
337 H A -0.8149
338 P A -1.1637
339 E A -2.1525
340 Y A -0.9943
341 A A 0.0000
342 V A -0.1027
343 S A 0.0968
344 V A 0.0000
345 L A 0.0000
346 L A -0.0818
347 R A 0.0000
348 L A 0.0000
349 A A -0.8518
350 K A -1.5097
351 E A -1.7456
352 Y A 0.0000
353 E A -2.5145
354 A A -2.0027
355 T A -1.9110
356 L A 0.0000
357 E A -3.2685
358 E A -3.0774
359 C A 0.0000
360 C A -2.3582
361 A A -2.3120
362 K A -3.5531
363 D A -3.4178
364 D A -3.1698
365 P A -2.5277
366 H A -2.0718
367 A A -1.2022
368 C A -1.0981
369 Y A 0.0000
370 S A -1.1122
371 T A -1.0740
372 V A 0.0000
373 F A -1.7606
374 D A -3.2879
375 K A -3.2817
376 L A 0.0000
377 K A -3.3568
378 H A -3.3685
379 L A -2.3581
380 V A -1.9665
381 D A -3.3627
382 E A -3.2603
383 P A 0.0000
384 Q A -2.6851
385 N A -2.8751
386 L A -1.8080
387 I A 0.0000
388 K A -3.5078
389 Q A -3.0235
390 N A -2.4616
391 C A 0.0000
392 D A -3.8057
393 Q A -2.7831
394 F A -2.5479
395 E A -3.3053
396 K A -2.9788
397 L A -1.1247
398 G A -1.4547
399 E A -1.5396
400 Y A -0.4033
401 G A -0.4325
402 F A 0.0000
403 Q A 0.0000
404 N A -0.3291
405 A A -0.4950
406 L A 0.0000
407 I A 0.0000
408 V A -0.6657
409 R A -1.1434
410 Y A 0.0000
411 T A 0.0000
412 R A -1.4315
413 K A -0.9309
414 V A 0.0000
415 P A 0.0000
416 Q A -1.2861
417 V A 0.0000
418 S A -0.4316
419 T A 0.0000
420 P A -0.6911
421 T A 0.0000
422 L A 0.0000
423 V A 0.0000
424 E A -1.9917
425 V A 0.0000
426 S A 0.0000
427 R A -1.1507
428 S A -0.9779
429 L A -0.6747
430 G A 0.0000
431 K A -1.3643
432 V A 0.0000
433 G A 0.0000
434 T A -1.2475
435 R A -1.1077
436 C A 0.0000
437 C A 0.0000
438 T A -1.3083
439 K A -1.8618
440 P A -2.0984
441 E A -3.0201
442 S A -2.3958
443 E A -2.9157
444 R A -2.3118
445 M A 0.0000
446 P A -1.0085
447 C A -0.7640
448 T A 0.0000
449 E A 0.0000
450 D A -0.3569
451 Y A -0.2725
452 L A 0.0000
453 S A -0.2167
454 L A 0.0000
455 I A 0.0000
456 L A 0.0000
457 N A 0.0000
458 R A -1.2051
459 L A 0.0000
460 C A 0.0000
461 V A 0.0000
462 L A -1.0368
463 H A 0.0000
464 E A -2.3280
465 K A -1.9080
466 T A -1.0172
467 P A -1.2528
468 V A -0.6070
469 S A 0.0000
470 E A -2.2544
471 K A -1.5389
472 V A 0.0000
473 T A -1.8720
474 K A -2.1599
475 C A 0.0000
476 C A 0.0000
477 T A -1.6559
478 E A -2.0888
479 S A -1.1368
480 L A -0.2255
481 V A -0.0319
482 N A -0.3880
483 R A 0.0000
484 R A 0.0000
485 P A -0.1762
486 C A -0.2554
487 F A 0.0000
488 S A 0.0240
489 A A 0.0980
490 L A -0.0855
491 T A -0.7363
492 P A -1.4458
493 D A -1.4818
494 E A -2.0803
495 T A -0.7173
496 Y A -0.2161
497 V A 0.9162
498 P A -0.4749
499 K A -1.1901
500 A A -0.4827
501 F A -0.6130
502 D A -1.6152
503 E A -2.4692
504 K A -2.3508
505 L A -0.9500
506 F A -0.6381
507 T A -0.9464
508 F A -1.0736
509 H A -1.9182
510 A A -2.2782
511 D A -2.5182
512 I A 0.0000
513 C A -1.0916
514 T A -1.4655
515 L A -1.0178
516 P A -1.4318
517 D A -1.7589
518 T A -1.2929
519 E A -1.9129
520 K A -1.7110
521 Q A -1.1545
522 I A -1.1620
523 K A -1.3466
524 K A -0.6789
525 Q A 0.0000
526 T A -0.5363
527 A A -0.1844
528 L A 0.0000
529 V A 0.0000
530 E A -0.4336
531 L A 0.0000
532 L A 0.0000
533 K A 0.0000
534 H A -0.8505
535 K A -1.2266
536 P A -1.4284
537 K A -2.3493
538 A A 0.0000
539 T A -2.3861
540 E A -3.4952
541 E A -3.5166
542 Q A -2.4154
543 L A 0.0000
544 K A -3.4839
545 T A -2.4361
546 V A 0.0000
547 M A -0.9907
548 E A -1.8558
549 N A -1.2775
550 F A -0.2839
551 V A 0.5585
552 A A -0.5030
553 F A 0.0000
554 V A -0.3921
555 D A -1.4532
556 K A -1.5685
557 C A 0.0000
558 C A -1.7165
559 A A -1.3509
560 A A -2.1581
561 D A -2.8983
562 D A -3.3561
563 K A -2.8820
564 E A -2.9030
565 A A -1.4850
566 C A -1.2892
567 F A 0.0000
568 A A -0.2133
569 V A 0.7073
570 E A -0.4168
571 G A -0.0675
572 P A -0.3696
573 K A -0.9082
574 L A -0.1089
575 V A 0.3209
576 V A 1.1448
577 S A 0.1340
578 T A 0.0312
579 Q A 0.2553
580 T A 0.2220
581 A A 0.0208
582 L A 0.0000
583 A A -0.1898
1 D B -2.1902
2 T B -1.7105
3 H B -2.5838
4 K B -3.3886
5 S B 0.0000
6 E B -2.1309
7 I B 0.0000
8 A B 0.0000
9 H B -2.2164
10 R B -1.9335
11 F B 0.0000
12 K B -3.1185
13 D B -3.3610
14 L B 0.0000
15 G B -2.7402
16 E B -3.5554
17 E B -3.1840
18 H B -2.0992
19 F B 0.0000
20 K B -1.8218
21 G B 0.0000
22 L B 0.0000
23 V B 0.0000
24 L B 0.0000
25 I B 0.0000
26 A B 0.0000
27 F B 0.0000
28 S B 0.0000
29 Q B 0.0000
30 Y B 0.0000
31 L B 0.0000
32 Q B 0.0000
33 Q B -1.0590
34 C B 0.0000
35 P B -1.1822
36 F B -1.5861
37 D B -2.5788
38 E B -2.2564
39 H B 0.0000
40 V B -1.9682
41 K B -2.8137
42 L B 0.0000
43 V B 0.0000
44 N B -2.3367
45 E B -3.1021
46 L B 0.0000
47 T B 0.0000
48 E B -2.8291
49 F B -1.5384
50 A B 0.0000
51 K B -2.7156
52 T B -1.6919
53 C B 0.0000
54 V B -1.6068
55 A B -1.3266
56 D B -2.6475
57 E B -3.5595
58 S B -2.3165
59 H B -1.8636
60 A B -1.1713
61 G B -1.1647
62 C B 0.0000
63 E B -3.3298
64 K B -2.1174
65 S B -1.1897
66 L B 0.0000
67 H B -0.8410
68 T B -0.8660
69 L B -0.6909
70 F B -0.2751
71 G B 0.0000
72 D B -1.3852
73 E B -1.5603
74 L B 0.0000
75 C B -1.6781
76 K B -1.9617
77 V B 0.0000
78 A B -1.0759
79 S B -1.4578
80 L B 0.0000
81 R B -3.4315
82 E B -2.9602
83 T B -1.9235
84 Y B -1.8336
85 G B -2.3410
86 D B -3.0676
87 M B 0.0000
88 A B -2.8457
89 D B -3.4704
90 C B 0.0000
91 C B -2.6910
92 E B -3.2014
93 K B -3.6642
94 Q B -2.9975
95 E B -2.4043
96 P B -2.3418
97 E B -3.3723
98 R B -3.2221
99 N B 0.0000
100 E B -2.6788
101 C B -2.1222
102 F B 0.0000
103 L B -1.0371
104 S B -0.8728
105 H B -1.1499
106 K B -0.6916
107 D B -1.2538
108 D B -1.1479
109 S B -1.1111
110 P B -1.3660
111 D B -2.1256
112 L B -1.2736
113 P B -1.4379
114 K B -2.2402
115 L B -1.1424
116 K B -2.1717
117 P B -1.5050
118 D B -1.8757
119 P B -1.8445
120 N B -2.4716
121 T B -1.8966
122 L B -1.7149
123 C B 0.0000
124 D B -3.2788
125 E B -3.4177
126 F B -3.1374
127 K B -3.1874
128 A B -2.7392
129 D B -3.5170
130 E B -3.3204
131 K B -3.4484
132 K B -2.8850
133 F B 0.0000
134 W B -1.7367
135 G B 0.0000
136 K B -1.3287
137 Y B -0.6768
138 L B 0.0000
139 Y B 0.0000
140 E B -0.2906
141 I B 0.0000
142 A B 0.0000
143 R B 0.0000
144 R B -0.9057
145 H B -0.4123
146 P B 0.0000
147 Y B -0.1584
148 F B 0.0000
149 Y B 0.0000
150 A B 0.0000
151 P B -0.2459
152 E B -0.4597
153 L B 0.0000
154 L B 0.0000
155 Y B 0.0000
156 Y B 0.0000
157 A B 0.0000
158 N B -1.5798
159 K B -1.6449
160 Y B -0.9855
161 N B 0.0000
162 G B -1.6187
163 V B 0.0000
164 F B 0.0000
165 Q B -2.7594
166 E B -2.7308
167 C B 0.0000
168 C B 0.0000
169 Q B -2.5507
170 A B -2.3302
171 E B -3.0422
172 D B -3.1085
173 K B -2.3110
174 G B -1.4364
175 A B -0.8199
176 C B -1.0773
177 L B 0.0000
178 L B -0.5642
179 P B -0.9736
180 K B -1.5369
181 I B -1.8377
182 E B -2.9599
183 T B -2.2688
184 M B 0.0000
185 R B -2.8638
186 E B -2.8654
187 K B -1.8170
188 V B 0.0000
189 L B -0.3733
190 T B -0.6039
191 S B -0.5490
192 S B -0.2632
193 A B -0.2251
194 R B -0.5136
195 Q B 0.0000
196 R B -0.5146
197 L B 0.0000
198 R B -0.7678
199 C B 0.0000
200 A B 0.0000
201 S B 0.0000
202 I B 0.0000
203 Q B -2.0868
204 K B -2.1082
205 F B -1.3535
206 G B -1.8784
207 E B -2.8579
208 R B -2.7639
209 A B -1.6666
210 L B 0.0000
211 K B -2.2753
212 A B -1.3680
213 W B -0.6911
214 S B 0.0000
215 V B 0.0000
216 A B 0.0000
217 R B -0.6365
218 L B -0.2418
219 S B 0.0000
220 Q B 0.0000
221 K B -1.2969
222 F B 0.0000
223 P B 0.0000
224 K B -1.9569
225 A B 0.0000
226 E B -1.6172
227 F B -0.1148
228 V B 1.0472
229 E B -0.2374
230 V B 0.0000
231 T B -0.1688
232 K B -0.5681
233 L B 0.0000
234 V B 0.0000
235 T B -1.2160
236 D B -1.9694
237 L B -1.2503
238 T B 0.0000
239 K B -2.6582
240 V B 0.0000
241 H B 0.0000
242 K B -1.8608
243 E B -1.4930
244 C B 0.0000
245 C B 0.0000
246 H B -0.9156
247 G B -0.6250
248 D B -0.6298
249 L B 0.0000
250 L B 0.0000
251 E B -1.3062
252 C B 0.0000
253 A B 0.0000
254 D B -1.7646
255 D B -2.7760
256 R B -1.9036
257 A B -1.8792
258 D B -3.0739
259 L B 0.0000
260 A B 0.0000
261 K B -2.7145
262 Y B -1.7504
263 I B 0.0000
264 C B -2.1830
265 D B -2.6214
266 N B -2.1390
267 Q B -2.1902
268 D B -2.5306
269 T B -2.0075
270 I B 0.0000
271 S B 0.0000
272 S B -1.7631
273 K B -2.0147
274 L B 0.0000
275 K B -3.2267
276 E B -3.4394
277 C B 0.0000
278 C B -2.8680
279 D B -3.2178
280 K B -2.5865
281 P B -1.0720
282 L B -0.4452
283 L B -0.6138
284 E B -1.7234
285 K B -1.6983
286 S B -1.0072
287 H B -1.0384
288 C B -1.5526
289 I B 0.0000
290 A B -1.3208
291 E B -2.3234
292 V B 0.0000
293 E B -2.6799
294 K B -1.8558
295 D B 0.0000
296 A B -0.4127
297 I B 0.0030
298 P B -1.0601
299 E B -2.2390
300 N B -1.9366
301 L B -0.8448
302 P B -0.8570
303 P B -0.7770
304 L B -0.5497
305 T B -1.0906
306 A B -1.7509
307 D B -2.8323
308 F B 0.0000
309 A B 0.0000
310 E B -3.2069
311 D B -3.5664
312 K B -3.9709
313 D B -4.3345
314 V B 0.0000
315 C B -2.8656
316 K B -4.0039
317 N B -4.0708
318 Y B 0.0000
319 Q B -3.6514
320 E B -3.5884
321 A B -2.4891
322 K B -2.7277
323 D B -2.2945
324 A B -1.1618
325 F B 0.0000
326 L B 0.0000
327 G B -0.8240
328 S B -0.1225
329 F B 0.0000
330 L B 0.0000
331 Y B 0.0000
332 E B -0.7170
333 Y B 0.0000
334 S B 0.0000
335 R B -0.5474
336 R B -0.5300
337 H B -0.9331
338 P B -1.2241
339 E B -2.1580
340 Y B -1.0108
341 A B -0.6693
342 V B 0.0000
343 S B 0.0000
344 V B 0.0000
345 L B 0.0000
346 L B 0.0000
347 R B 0.0000
348 L B 0.0000
349 A B 0.0000
350 K B -1.7041
351 E B -1.7762
352 Y B 0.0000
353 E B -1.9161
354 A B -1.6118
355 T B 0.0000
356 L B 0.0000
357 E B -2.4524
358 E B -2.8476
359 C B 0.0000
360 C B -1.9841
361 A B -1.9782
362 K B -3.3788
363 D B -3.3123
364 D B -3.3247
365 P B -2.4632
366 H B -1.9952
367 A B -0.8702
368 C B -0.8028
369 Y B 0.0000
370 S B -1.0782
371 T B -1.0577
372 V B 0.0000
373 F B -1.6964
374 D B -3.2612
375 K B -3.1954
376 L B 0.0000
377 K B -3.5308
378 H B -3.3514
379 L B -2.2872
380 V B -1.8937
381 D B -3.2258
382 E B -2.7708
383 P B 0.0000
384 Q B -2.6187
385 N B -2.8854
386 L B -2.0023
387 I B 0.0000
388 K B -3.5965
389 Q B -3.1471
390 N B -2.7692
391 C B 0.0000
392 D B -3.7847
393 Q B -2.7981
394 F B -2.4047
395 E B -3.2601
396 K B -3.0477
397 L B -1.3813
398 G B -1.5040
399 E B -1.2196
400 Y B -0.4498
401 G B -0.5633
402 F B 0.0000
403 Q B 0.0000
404 N B -0.3746
405 A B -0.4470
406 L B 0.0000
407 I B 0.0000
408 V B -0.6319
409 R B -0.9831
410 Y B -0.4335
411 T B 0.0000
412 R B -1.4124
413 K B -1.1831
414 V B 0.0000
415 P B 0.0000
416 Q B -1.1412
417 V B 0.0000
418 S B -0.3701
419 T B 0.0000
420 P B -0.5582
421 T B -0.5460
422 L B 0.0000
423 V B 0.0000
424 E B -1.0581
425 V B 0.0000
426 S B 0.0000
427 R B -0.8082
428 S B -0.7422
429 L B 0.0000
430 G B 0.0000
431 K B -1.3481
432 V B 0.0000
433 G B 0.0000
434 T B -1.1747
435 R B -1.0997
436 C B 0.0000
437 C B 0.0000
438 T B -1.1836
439 K B -1.8666
440 P B -1.9515
441 E B -2.8529
442 S B -2.2118
443 E B -2.4243
444 R B -2.0858
445 M B 0.0000
446 P B -0.8235
447 C B -0.7548
448 T B 0.0000
449 E B 0.0000
450 D B -0.2951
451 Y B -0.2141
452 L B 0.0671
453 S B -0.1426
454 L B 0.0000
455 I B 0.0000
456 L B 0.0000
457 N B 0.0000
458 R B -0.5368
459 L B 0.0000
460 C B 0.0000
461 V B -0.9020
462 L B -0.9694
463 H B 0.0000
464 E B -2.0428
465 K B -2.3343
466 T B -1.0840
467 P B -1.0564
468 V B -0.1146
469 S B -1.2209
470 E B -2.3056
471 K B -1.7012
472 V B 0.0000
473 T B -1.9505
474 K B -2.4999
475 C B 0.0000
476 C B 0.0000
477 T B -1.6760
478 E B -2.1593
479 S B -1.3127
480 L B -0.4641
481 V B 0.0000
482 N B -0.7030
483 R B 0.0000
484 R B 0.0000
485 P B -0.2665
486 C B -0.4085
487 F B 0.0000
488 S B -0.0358
489 A B 0.0589
490 L B -0.1652
491 T B -0.8298
492 P B -1.6659
493 D B -1.9704
494 E B -2.4327
495 T B -0.8124
496 Y B -0.1450
497 V B 1.0167
498 P B 0.0587
499 K B -0.6149
500 A B -0.3320
501 F B -0.7327
502 D B -1.5702
503 E B -2.4917
504 K B -2.3339
505 L B -0.8268
506 F B -0.6632
507 T B -0.9082
508 F B -1.1029
509 H B -1.8877
510 A B -2.1632
511 D B -2.4315
512 I B 0.0000
513 C B 0.0000
514 T B -1.3688
515 L B -1.1181
516 P B -1.6745
517 D B -2.4332
518 T B -1.5652
519 E B -2.0576
520 K B -1.9882
521 Q B -1.3309
522 I B -1.0324
523 K B -1.2710
524 K B -0.7914
525 Q B 0.0000
526 T B -0.4452
527 A B -0.0775
528 L B 0.0000
529 V B 0.0000
530 E B 0.0000
531 L B 0.0000
532 L B 0.0000
533 K B 0.0000
534 H B -0.6513
535 K B -1.0437
536 P B -1.3965
537 K B -2.3648
538 A B 0.0000
539 T B -2.3401
540 E B -3.4983
541 E B -3.4843
542 Q B -2.3918
543 L B 0.0000
544 K B -3.5353
545 T B -2.5495
546 V B -1.6430
547 M B -1.4924
548 E B -2.1785
549 N B -1.6402
550 F B 0.0000
551 V B 0.1665
552 A B -0.6437
553 F B 0.0000
554 V B -0.3554
555 D B -1.0479
556 K B -1.6188
557 C B 0.0000
558 C B -1.6889
559 A B -1.3811
560 A B -2.2622
561 D B -2.8026
562 D B -3.1944
563 K B -2.6819
564 E B -2.7894
565 A B -1.3800
566 C B -1.1629
567 F B 0.0000
568 A B -0.0448
569 V B 0.9669
570 E B -0.0793
571 G B -0.0228
572 P B -0.3081
573 K B -0.9445
574 L B -0.2846
575 V B 0.0004
576 V B 0.8210
577 S B -0.1014
578 T B -0.2749
579 Q B -0.4777
580 T B -0.0276
581 A B -0.0909
582 L B 0.0000
583 A B -0.4356
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Laboratory of Theory of Biopolymers 2018