Project name: 4QQ8_analysis [mutate: MA421A, SH420A]

Status: done

Started: 2026-05-22 07:45:55
Settings
Chain sequence(s) A: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAG
C: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAGSTENLY
B: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAG
D: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAGSTENLY
input PDB
Selected Chain(s) A,C,B,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues MA421A,SH420A
Energy difference between WT (input) and mutated protein (by FoldX) 6.93367 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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                                        (00:00:03)
[INFO]       FoldX:    Building mutant model                                                       (00:17:57)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:19:16)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:35:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:28)
Show buried residues

Minimal score value
-3.0317
Maximal score value
2.3348
Average score
-0.4179
Total score value
-946.1597

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
2 A A -0.3661
3 M A -0.0874
4 I A -0.1497
5 T A -0.4260
6 G A 0.0000
7 G A 0.0000
8 E A -0.6518
9 L A 0.0000
10 V A 0.0000
11 V A 0.0000
12 R A -0.5515
13 T A 0.0000
14 L A 0.0000
15 I A -0.6537
16 K A -1.6420
17 A A -1.0129
18 G A -1.0202
19 V A -1.0136
20 E A -1.9635
21 H A 0.0000
22 L A 0.0000
23 F A 0.0000
24 G A 0.0000
25 L A 0.0000
26 H A 0.0000
27 G A 0.0000
28 I A 0.0000
29 H A 0.0000
30 I A 0.0000
31 D A 0.0000
32 T A 0.2404
33 I A 0.0000
34 F A 0.0000
35 Q A 0.0000
36 A A 0.0000
37 C A 0.0000
38 L A -0.7047
39 D A -2.1491
40 H A -1.8636
41 D A -2.3923
42 V A -1.2860
43 P A -0.6718
44 I A -0.0889
45 I A 0.0000
46 D A 0.0000
47 T A 0.0000
48 R A 0.0000
49 H A -0.1064
50 E A 0.0000
51 A A -0.0746
52 A A 0.0000
53 A A 0.0000
54 G A 0.0000
55 H A 0.0000
56 A A 0.0000
57 A A 0.0000
58 E A 0.0000
59 G A 0.0000
60 Y A 0.0000
61 A A 0.0000
62 R A 0.0000
63 A A -0.2086
64 G A -0.5836
65 A A -0.4618
66 K A -0.8784
67 L A -0.5074
68 G A 0.0000
69 V A 0.0000
70 A A 0.0000
71 L A 0.0000
72 V A 0.0000
73 T A 0.0000
74 A A 0.0000
75 G A 0.0000
76 G A 0.0000
77 G A 0.0000
78 F A 0.0000
79 T A 0.0000
80 N A -0.1633
81 A A 0.0000
82 V A 0.0000
83 T A 0.0000
84 P A 0.0000
85 I A 0.0000
86 A A 0.0000
87 N A 0.0000
88 A A 0.0000
89 R A -0.7676
90 T A -0.4680
91 D A -0.3611
92 R A 0.0000
93 T A 0.0000
94 P A 0.0000
95 V A 0.0000
96 L A 0.0000
97 F A 0.0000
98 L A 0.0000
99 T A 0.0000
100 G A 0.0000
101 S A 0.0000
102 G A 0.0000
103 A A 0.0000
104 L A 0.0000
105 R A -2.6957
106 D A -2.2047
107 D A -1.6554
108 E A -1.1974
109 T A -0.9703
110 N A -0.6646
111 T A -0.5148
112 L A -0.1087
113 Q A -0.2476
114 A A -0.7743
115 G A -1.1306
116 I A 0.0000
117 D A -1.5527
118 Q A 0.0000
119 V A -0.3082
120 A A -0.4670
121 M A 0.0000
122 A A 0.0000
123 A A -0.0288
124 P A -0.5248
125 I A 0.0000
126 T A -0.4834
127 K A -0.9173
128 W A -0.2247
129 A A -0.1493
130 H A -0.2280
131 R A -0.5799
132 V A 0.0000
133 M A 0.0000
134 A A -1.2165
135 T A 0.0000
136 E A -2.0014
137 H A 0.0000
138 I A 0.0000
139 P A 0.0000
140 R A -0.3293
141 L A 0.0000
142 V A 0.0000
143 M A 0.0000
144 Q A 0.0000
145 A A 0.0000
146 I A 0.0000
147 R A 0.0000
148 A A -0.1555
149 A A 0.0000
150 L A 0.1632
151 S A 0.0451
152 A A -0.1724
153 P A -0.3985
154 R A -0.3433
155 G A 0.0000
156 P A 0.0000
157 V A 0.0000
158 L A 0.0000
159 L A 0.0000
160 D A 0.0000
161 L A 0.0000
162 P A 0.0000
163 W A -0.0742
164 D A 0.0000
165 I A 0.0000
166 L A 0.0000
167 M A -0.0083
168 N A -0.6218
169 Q A -1.2874
170 I A -1.2683
171 D A -2.0676
172 E A -1.8716
173 D A -2.0691
174 S A -1.2592
175 V A -0.2495
176 I A 1.1436
177 I A 0.3036
178 P A -0.5078
179 D A -1.5616
180 L A -0.6943
181 V A 0.1081
182 L A 0.3321
183 S A 0.1022
184 A A -0.0707
185 H A -0.6326
186 G A -0.3509
187 A A 0.0000
188 H A -0.3688
189 P A 0.0000
190 D A -0.7755
191 P A -0.9782
192 A A -0.9852
193 D A 0.0000
194 L A -1.0597
195 D A -2.1243
196 Q A -1.5136
197 A A 0.0000
198 L A 0.0000
199 A A -1.6065
200 L A -1.6541
201 L A 0.0000
202 R A -2.7124
203 K A -2.9576
204 A A -2.5335
205 E A -2.7774
206 R A -2.0406
207 P A 0.0000
208 V A 0.0000
209 I A 0.0000
210 V A 0.0000
211 L A 0.0000
212 G A 0.0000
213 S A -0.1284
214 E A 0.0000
215 A A 0.0000
216 S A -0.3183
217 R A 0.0000
218 T A 0.0000
219 A A -0.7934
220 R A -1.3150
221 K A -2.0369
222 T A -1.1288
223 A A 0.0000
224 L A 0.0000
225 S A -0.6617
226 A A -0.4265
227 F A 0.0000
228 V A 0.0000
229 A A 0.0534
230 A A -0.0390
231 T A 0.0000
232 G A -0.4733
233 V A 0.0000
234 P A 0.0000
235 V A 0.0000
236 F A 0.0000
237 A A 0.0000
238 D A -0.1568
239 Y A 0.0500
240 E A 0.0000
241 G A 0.0000
242 L A 0.0000
243 S A -0.2539
244 M A 0.0000
245 L A 0.0000
246 S A -1.4300
247 G A -1.2730
248 L A 0.0000
249 P A -1.1087
250 D A -2.2127
251 A A -0.9321
252 M A -0.5946
253 R A -1.1167
254 G A 0.0000
255 G A 0.0000
256 L A 0.0000
257 V A 0.0000
258 Q A 0.0000
259 N A -0.1190
260 L A 0.0000
261 Y A -0.3781
262 S A -0.9528
263 F A 0.0000
264 A A -1.4552
265 K A -2.2110
266 A A -1.7128
267 D A -2.2975
268 A A 0.0000
269 A A -1.1061
270 P A 0.0000
271 D A -1.5801
272 L A 0.0000
273 V A 0.0000
274 L A 0.0000
275 M A 0.0000
276 L A 0.0000
277 G A 0.0000
278 A A 0.0000
279 R A -0.3281
280 F A 0.0000
281 G A 0.0000
282 L A 0.0111
283 N A -0.1439
284 T A 0.0000
285 G A -0.3362
286 H A -0.5031
287 G A -0.5896
288 S A -0.7008
289 G A -0.8433
290 Q A -0.7947
291 L A 0.0000
292 I A 0.0000
293 P A -0.9842
294 H A -1.5462
295 S A -1.0514
296 A A 0.0000
297 Q A -1.1231
298 V A 0.0000
299 I A 0.0000
300 Q A 0.0000
301 V A 0.0000
302 D A 0.0000
303 P A -0.1861
304 D A -0.4367
305 A A 0.0000
306 C A 0.0591
307 E A 0.0000
308 L A 0.0000
309 G A -0.3161
310 R A 0.0000
311 L A -0.2629
312 Q A -0.4075
313 G A -0.7792
314 I A 0.0000
315 A A -0.3002
316 L A 0.0478
317 G A 0.0000
318 I A 0.0000
319 V A 0.1240
320 A A 0.0000
321 D A 0.0000
322 V A 0.0000
323 G A 0.0000
324 G A 0.0000
325 T A 0.0000
326 I A 0.0000
327 E A -1.1622
328 A A 0.0000
329 L A 0.0000
330 A A -0.8888
331 Q A -1.6999
332 A A -1.5209
333 T A 0.0000
334 A A -1.1818
335 Q A -1.9937
336 D A -1.8302
337 A A -0.8122
338 A A -0.7755
339 W A -0.8378
340 P A -1.7572
341 D A -2.2430
342 R A 0.0000
343 G A -1.8666
344 D A -2.4999
345 W A 0.0000
346 C A 0.0000
347 A A -1.5211
348 K A -2.0072
349 V A 0.0000
350 T A -2.0226
351 D A -2.7235
352 L A -1.8019
353 A A -1.7495
354 Q A -2.4677
355 E A -2.5318
356 R A 0.0000
357 Y A -1.0315
358 A A -0.9409
359 S A -0.9432
360 I A 0.0000
361 A A -0.7646
362 A A -0.7868
363 K A -1.7345
364 S A -1.1543
365 S A -1.3905
366 S A -1.3666
367 E A -2.3829
368 H A -1.9012
369 A A -1.2783
370 L A 0.0000
371 H A 0.0000
372 P A 0.0000
373 F A 0.0000
374 H A -0.4619
375 A A 0.0000
376 S A 0.0000
377 Q A -0.8120
378 V A 0.0000
379 I A 0.0000
380 A A -1.5705
381 K A -2.1245
382 H A -1.5129
383 V A 0.0000
384 D A -2.3919
385 A A -1.2896
386 G A -1.1766
387 V A 0.0000
388 T A 0.0000
389 V A 0.0000
390 V A 0.0000
391 A A 0.0000
392 D A 0.0000
393 G A -0.1155
394 G A -0.1271
395 L A 0.0000
396 T A 0.0000
397 Y A 0.0000
398 L A 0.0000
399 W A 0.0000
400 L A 0.0000
401 S A 0.0000
402 E A 0.0000
403 V A 0.0000
404 M A 0.0000
405 S A -0.9953
406 R A -2.2221
407 V A -1.8493
408 K A -1.8535
409 P A 0.0000
410 G A -0.8913
411 G A 0.0000
412 F A 0.0000
413 L A 0.0000
414 C A 0.0000
415 H A 0.0000
416 G A -0.1268
417 Y A -0.1057
418 L A 0.0000
419 N A -0.2795
420 H A 0.0000 mutated: SH420A
421 A A -0.1051 mutated: MA421A
422 G A 0.0000
423 V A 0.0000
424 G A 0.0000
425 F A 0.0000
426 G A 0.0000
427 T A 0.0000
428 A A 0.0000
429 L A 0.0000
430 G A 0.0000
431 A A 0.0000
432 Q A 0.0000
433 V A 0.0000
434 A A 0.0000
435 D A 0.0000
436 L A -0.2968
437 E A -1.5713
438 A A -0.9172
439 G A -0.8997
440 R A -0.9667
441 R A -0.6228
442 T A 0.0000
443 I A 0.0000
444 L A 0.0000
445 V A 0.0000
446 T A 0.0000
447 G A 0.0000
448 D A 0.0000
449 G A 0.0000
450 S A 0.0000
451 V A 0.0000
452 G A 0.0000
453 Y A 0.0000
454 S A -0.0591
455 I A 0.0000
456 G A 0.0000
457 E A 0.0000
458 F A 0.0000
459 D A 0.0000
460 T A 0.0000
461 L A 0.0000
462 V A -0.8952
463 R A -1.4260
464 K A -1.2606
465 Q A -1.8889
466 L A 0.0000
467 P A 0.0000
468 L A 0.0000
469 I A 0.0000
470 V A 0.0000
471 I A 0.0000
472 I A 0.0000
473 M A 0.0000
474 N A 0.0000
475 N A 0.0000
476 Q A -2.0952
477 S A 0.0000
478 W A -0.7080
479 G A -0.5248
480 W A 0.3261
481 T A 0.1009
482 L A 0.0000
483 H A 0.0000
484 F A 0.8728
485 Q A 0.0000
486 Q A 0.0501
487 L A 1.4752
488 A A 1.0740
489 V A 0.9807
490 G A 0.0480
491 P A -0.7043
492 N A -1.5274
493 R A -0.7888
494 V A -0.5580
495 T A -0.4335
496 G A -0.4093
497 T A 0.0000
498 R A -2.5021
499 L A 0.0000
500 E A -2.8973
501 N A -1.8272
502 G A -0.9702
503 S A -0.5295
504 Y A 0.0000
505 H A -0.6093
506 G A -0.4912
507 V A 0.0000
508 A A 0.0000
509 A A -0.3978
510 A A -0.3979
511 F A 0.0000
512 G A -0.6244
513 A A 0.0000
514 D A -0.7078
515 G A -0.6538
516 Y A -0.5591
517 H A -1.4140
518 V A 0.0000
519 D A -2.2286
520 S A -1.7213
521 V A -1.1047
522 E A -1.9844
523 S A -1.4320
524 F A 0.0000
525 S A -0.9106
526 A A -0.6247
527 A A 0.0000
528 L A 0.0000
529 A A -0.3939
530 Q A -0.8885
531 A A 0.0000
532 L A -0.6711
533 A A -0.9086
534 H A -1.8006
535 N A -2.2881
536 R A -2.1829
537 P A -1.2620
538 A A 0.0000
539 C A 0.0000
540 I A 0.0000
541 N A 0.0000
542 V A 0.0000
543 A A -0.9569
544 V A 0.0000
545 A A -0.8205
546 L A -0.6339
547 D A -1.5012
548 P A -0.6607
549 I A 0.3386
550 P A 0.0000
551 P A 0.0000
552 E A 0.5047
553 E A 0.0000
554 L A 1.2423
555 I A 1.1351
556 L A 1.6958
557 I A 2.3348
558 G A 0.8990
559 M A 0.9893
560 D A 0.0317
561 P A 0.1387
562 F A 0.4157
563 A A -0.1833
564 G A -0.4004
2 A B -0.3538
3 M B -0.0929
4 I B -0.3318
5 T B -0.4437
6 G B 0.0000
7 G B 0.0000
8 E B -0.6816
9 L B 0.0000
10 V B 0.0000
11 V B 0.0000
12 R B -0.6088
13 T B 0.0000
14 L B 0.0000
15 I B -0.5416
16 K B -1.6415
17 A B -1.0430
18 G B -1.1056
19 V B 0.0000
20 E B -2.0914
21 H B 0.0000
22 L B 0.0000
23 F B 0.0000
24 G B 0.0000
25 L B 0.0000
26 H B 0.0000
27 G B 0.0000
28 I B 0.0000
29 H B 0.0000
30 I B 0.0000
31 D B 0.0000
32 T B 0.2259
33 I B 0.0000
34 F B 0.0000
35 Q B 0.0000
36 A B 0.0000
37 C B 0.0000
38 L B -0.8353
39 D B -2.2320
40 H B -1.9481
41 D B -2.5091
42 V B 0.0000
43 P B -0.7947
44 I B -0.2100
45 I B 0.0000
46 D B 0.0000
47 T B 0.0000
48 R B 0.0000
49 H B -0.1018
50 E B 0.0000
51 A B -0.0471
52 A B 0.0000
53 A B 0.0000
54 G B 0.0000
55 H B 0.0000
56 A B 0.0000
57 A B 0.0000
58 E B 0.0000
59 G B 0.0000
60 Y B 0.0000
61 A B 0.0000
62 R B 0.0000
63 A B -0.2296
64 G B -0.6308
65 A B -0.5390
66 K B -1.0541
67 L B -0.6191
68 G B 0.0000
69 V B 0.0000
70 A B 0.0000
71 L B 0.0000
72 V B 0.0000
73 T B 0.0000
74 A B 0.0000
75 G B 0.0000
76 G B 0.0000
77 G B 0.0000
78 F B 0.0000
79 T B 0.0000
80 N B 0.0000
81 A B 0.0000
82 V B 0.0000
83 T B 0.0000
84 P B 0.0000
85 I B 0.0000
86 A B 0.0000
87 N B 0.0000
88 A B 0.0000
89 R B -0.6728
90 T B -0.3664
91 D B 0.0000
92 R B 0.0000
93 T B 0.0000
94 P B 0.0000
95 V B 0.0000
96 L B 0.0000
97 F B 0.0000
98 L B 0.0000
99 T B 0.0000
100 G B 0.0000
101 S B 0.0000
102 G B 0.0000
103 A B 0.0000
104 L B 0.0000
105 R B -2.6591
106 D B -2.1789
107 D B -1.6424
108 E B -1.1882
109 T B -0.9613
110 N B -0.6217
111 T B -0.4731
112 L B -0.0442
113 Q B -0.2157
114 A B -0.7335
115 G B -1.0885
116 I B 0.0000
117 D B -1.5024
118 Q B 0.0000
119 V B -0.2941
120 A B -0.4505
121 M B 0.0000
122 A B 0.0000
123 A B -0.1713
124 P B -0.5308
125 I B 0.0000
126 T B -0.4461
127 K B -0.8471
128 W B -0.1898
129 A B -0.1374
130 H B -0.2363
131 R B -0.5608
132 V B 0.0000
133 M B 0.0000
134 A B -1.2099
135 T B 0.0000
136 E B -2.0189
137 H B 0.0000
138 I B 0.0000
139 P B 0.0000
140 R B -0.3725
141 L B 0.0000
142 V B 0.0000
143 M B 0.0000
144 Q B 0.0000
145 A B 0.0000
146 I B 0.0000
147 R B 0.0000
148 A B -0.1356
149 A B 0.0000
150 L B 0.1298
151 S B 0.0566
152 A B -0.1695
153 P B -0.3840
154 R B -0.3168
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509 A C -0.3937
510 A C -0.3979
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512 G C -0.6096
513 A C 0.0000
514 D C -0.7005
515 G C -0.6669
516 Y C -0.5674
517 H C -1.4326
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520 S C -1.8236
521 V C -1.0958
522 E C -1.9735
523 S C -1.4274
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526 A C -0.6129
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528 L C 0.0000
529 A C -0.3712
530 Q C -0.8384
531 A C 0.0000
532 L C -0.6231
533 A C -0.8403
534 H C -1.6698
535 N C -2.2134
536 R C -2.0911
537 P C -1.2058
538 A C 0.0000
539 C C 0.0000
540 I C 0.0000
541 N C 0.0000
542 V C 0.0000
543 A C -0.9693
544 V C 0.0000
545 A C -0.8273
546 L C -0.4674
547 D C -1.2612
548 P C -0.2307
549 I C 1.2404
550 P C 0.0000
551 P C 0.0000
552 E C 0.4808
553 E C 0.0000
554 L C 0.9114
555 I C 0.7070
556 L C 1.1471
557 I C 1.5854
558 G C 0.3105
559 M C 0.0000
560 D C -0.2450
561 P C 0.2650
562 F C 0.4477
563 A C -0.0255
564 G C -0.4484
565 S C -0.8264
566 T C -1.0490
567 E C -1.6276
568 N C -0.0291
569 L C 1.5878
570 Y C 2.0530
2 A D -0.3287
3 M D -0.0776
4 I D -0.1459
5 T D -0.4381
6 G D 0.0000
7 G D 0.0000
8 E D -0.6609
9 L D 0.0000
10 V D 0.0000
11 V D 0.0000
12 R D -0.5601
13 T D 0.0000
14 L D 0.0000
15 I D -0.5698
16 K D -1.3505
17 A D -0.9094
18 G D -0.9834
19 V D 0.0000
20 E D -2.0622
21 H D 0.0000
22 L D 0.0000
23 F D 0.0000
24 G D 0.0000
25 L D 0.0000
26 H D 0.0000
27 G D 0.0000
28 I D 0.0000
29 H D 0.0000
30 I D 0.0000
31 D D 0.0000
32 T D 0.2244
33 I D 0.0000
34 F D 0.0000
35 Q D 0.0000
36 A D 0.0000
37 C D 0.0000
38 L D -0.6992
39 D D -2.1498
40 H D -1.8745
41 D D -2.4506
42 V D 0.0000
43 P D -0.7654
44 I D -0.1869
45 I D 0.0000
46 D D 0.0000
47 T D 0.0000
48 R D 0.0000
49 H D -0.1061
50 E D 0.0000
51 A D -0.0939
52 A D 0.0000
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54 G D 0.0000
55 H D 0.0000
56 A D 0.0000
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59 G D 0.0000
60 Y D 0.0000
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63 A D -0.2089
64 G D -0.5879
65 A D -0.4641
66 K D -0.9050
67 L D -0.5419
68 G D 0.0000
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80 N D -0.1935
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84 P D 0.0000
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92 R D 0.0000
93 T D 0.0000
94 P D 0.0000
95 V D 0.0000
96 L D 0.0000
97 F D 0.0000
98 L D 0.0000
99 T D 0.0000
100 G D 0.0000
101 S D 0.0000
102 G D 0.0000
103 A D -0.9566
104 L D 0.0000
105 R D -2.6803
106 D D -2.2326
107 D D -1.6294
108 E D -1.1125
109 T D -0.9387
110 N D -0.5972
111 T D -0.5229
112 L D 0.0000
113 Q D 0.0000
114 A D -0.7207
115 G D -1.0742
116 I D 0.0000
117 D D -1.4844
118 Q D 0.0000
119 V D -0.3003
120 A D -0.4505
121 M D 0.0000
122 A D 0.0000
123 A D -0.1863
124 P D -0.5462
125 I D 0.0000
126 T D -0.5189
127 K D -0.9670
128 W D -0.2500
129 A D -0.1762
130 H D -0.2718
131 R D -0.6306
132 V D 0.0000
133 M D 0.0000
134 A D -1.2795
135 T D 0.0000
136 E D -2.1394
137 H D 0.0000
138 I D 0.0000
139 P D 0.0000
140 R D -0.4074
141 L D 0.0000
142 V D 0.0000
143 M D 0.0000
144 Q D 0.0000
145 A D 0.0000
146 I D 0.0000
147 R D 0.0000
148 A D -0.1603
149 A D 0.0000
150 L D 0.1563
151 S D 0.0655
152 A D -0.1663
153 P D -0.4001
154 R D -0.3386
155 G D 0.0000
156 P D 0.0000
157 V D 0.0000
158 L D 0.0000
159 L D 0.0000
160 D D 0.0000
161 L D 0.0000
162 P D 0.0000
163 W D -0.0938
164 D D 0.0000
165 I D 0.0000
166 L D 0.0000
167 M D -0.0699
168 N D -0.7257
169 Q D -1.3263
170 I D -1.2676
171 D D -1.9951
172 E D -1.7054
173 D D -2.0200
174 S D -1.2472
175 V D -0.2057
176 I D 1.2043
177 I D 0.4311
178 P D -0.4615
179 D D -1.4763
180 L D -0.6257
181 V D 0.0949
182 L D 0.3416
183 S D 0.1413
184 A D -0.0605
185 H D -0.5769
186 G D -0.2946
187 A D -0.1361
188 H D 0.0000
189 P D 0.0000
190 D D 0.0000
191 P D -0.8377
192 A D -0.8890
193 D D 0.0000
194 L D -0.9538
195 D D -2.0438
196 Q D -1.4808
197 A D 0.0000
198 L D -1.0363
199 A D -1.2283
200 L D -1.2905
201 L D 0.0000
202 R D -1.6748
203 K D -2.4148
204 A D -2.2082
205 E D -2.6276
206 R D -1.9109
207 P D 0.0000
208 V D 0.0000
209 I D 0.0000
210 V D 0.0000
211 L D 0.0000
212 G D 0.0000
213 S D 0.0000
214 E D 0.0000
215 A D 0.0000
216 S D -0.3411
217 R D 0.0000
218 T D -0.5059
219 A D -0.6658
220 R D -1.2343
221 K D -2.0094
222 T D -1.1021
223 A D 0.0000
224 L D 0.0000
225 S D -0.6443
226 A D -0.3686
227 F D 0.0000
228 V D 0.0000
229 A D 0.0532
230 A D -0.1614
231 T D 0.0000
232 G D -0.4981
233 V D 0.0000
234 P D 0.0000
235 V D 0.0000
236 F D 0.0000
237 A D 0.0000
238 D D 0.0000
239 Y D 0.0557
240 E D -0.1078
241 G D 0.0000
242 L D 0.0000
243 S D -0.2728
244 M D 0.0000
245 L D 0.0000
246 S D -1.4313
247 G D -1.2745
248 L D 0.0000
249 P D -1.1099
250 D D -2.2058
251 A D -0.9447
252 M D -0.6071
253 R D -1.1141
254 G D 0.0000
255 G D 0.0000
256 L D 0.0000
257 V D 0.0000
258 Q D 0.0000
259 N D -0.1513
260 L D 0.0000
261 Y D -0.3122
262 S D -0.8883
263 F D 0.0000
264 A D -1.4392
265 K D -2.1991
266 A D -1.5940
267 D D -2.2805
268 A D 0.0000
269 A D -1.1026
270 P D 0.0000
271 D D -1.4600
272 L D 0.0000
273 V D 0.0000
274 L D 0.0000
275 M D 0.0000
276 L D 0.0000
277 G D 0.0000
278 A D 0.0000
279 R D -0.2978
280 F D 0.0000
281 G D 0.0000
282 L D 0.0571
283 N D -0.0860
284 T D 0.0000
285 G D 0.0000
286 H D -0.4935
287 G D -0.5986
288 S D -0.7121
289 G D -0.8172
290 Q D -0.7398
291 L D 0.0000
292 I D 0.0000
293 P D -0.9744
294 H D -1.5228
295 S D -1.0440
296 A D 0.0000
297 Q D -1.0883
298 V D 0.0000
299 I D 0.0000
300 Q D 0.0000
301 V D 0.0000
302 D D 0.0000
303 P D -0.2072
304 D D -0.4705
305 A D 0.0000
306 C D 0.0492
307 E D 0.0000
308 L D 0.0000
309 G D -0.2533
310 R D 0.0000
311 L D -0.2469
312 Q D -0.3741
313 G D -0.6926
314 I D -0.4622
315 A D -0.0171
316 L D 0.1087
317 G D 0.0000
318 I D 0.0000
319 V D 0.1486
320 A D 0.0000
321 D D 0.0000
322 V D 0.0000
323 G D 0.0000
324 G D 0.0000
325 T D 0.0000
326 I D 0.0000
327 E D -0.9571
328 A D 0.0000
329 L D 0.0000
330 A D 0.0000
331 Q D -1.2479
332 A D -1.2270
333 T D 0.0000
334 A D -1.0235
335 Q D -1.8065
336 D D -1.6164
337 A D -0.6473
338 A D -0.5120
339 W D -0.6308
340 P D -1.5493
341 D D -2.2778
342 R D 0.0000
343 G D -1.9853
344 D D -2.5643
345 W D 0.0000
346 C D 0.0000
347 A D -1.5178
348 K D -2.0508
349 V D 0.0000
350 T D -2.0077
351 D D -2.6822
352 L D -1.8388
353 A D -1.8258
354 Q D -2.6514
355 E D -2.6216
356 R D 0.0000
357 Y D -1.1257
358 A D -1.0303
359 S D -1.0068
360 I D 0.0000
361 A D -0.7539
362 A D -0.7911
363 K D -1.7336
364 S D -1.0239
365 S D -1.3439
366 S D -1.2683
367 E D -2.3725
368 H D -1.8955
369 A D -1.3048
370 L D 0.0000
371 H D 0.0000
372 P D 0.0000
373 F D 0.0000
374 H D -0.2322
375 A D 0.0000
376 S D 0.0000
377 Q D -0.7345
378 V D 0.0000
379 I D 0.0000
380 A D -1.5535
381 K D -2.1351
382 H D -1.5240
383 V D 0.0000
384 D D -2.3789
385 A D -1.2884
386 G D -1.1839
387 V D 0.0000
388 T D 0.0000
389 V D 0.0000
390 V D 0.0000
391 A D 0.0000
392 D D 0.0000
393 G D 0.0000
394 G D 0.0091
395 L D 0.0000
396 T D 0.0000
397 Y D 0.0000
398 L D 0.0000
399 W D 0.0000
400 L D 0.0000
401 S D 0.0000
402 E D 0.0000
403 V D 0.0000
404 M D 0.0000
405 S D -0.9980
406 R D -2.2460
407 V D -1.8444
408 K D -1.8499
409 P D 0.0000
410 G D -0.8877
411 G D 0.0000
412 F D 0.0000
413 L D 0.0000
414 C D 0.0000
415 H D 0.0000
416 G D -0.1718
417 Y D 0.0000
418 L D 0.0000
419 N D -0.1911
420 S D 0.0000
421 M D 0.1552
422 G D 0.0000
423 V D 0.0000
424 G D 0.0000
425 F D 0.0000
426 G D 0.0000
427 T D 0.0000
428 A D 0.0000
429 L D 0.0000
430 G D 0.0000
431 A D 0.0000
432 Q D 0.0000
433 V D 0.0000
434 A D 0.0000
435 D D 0.0000
436 L D -0.2924
437 E D -1.5686
438 A D -0.9157
439 G D -0.8996
440 R D -0.9717
441 R D -0.4413
442 T D 0.0000
443 I D 0.0000
444 L D 0.0000
445 V D 0.0000
446 T D 0.0000
447 G D 0.0000
448 D D 0.0000
449 G D 0.0000
450 S D 0.0000
451 V D 0.0000
452 G D 0.0000
453 Y D 0.0000
454 S D -0.0583
455 I D 0.0000
456 G D 0.0000
457 E D 0.0000
458 F D 0.0000
459 D D 0.0000
460 T D 0.0000
461 L D 0.0000
462 V D -0.9330
463 R D -1.3771
464 K D -1.0907
465 Q D -1.8824
466 L D 0.0000
467 P D 0.0000
468 L D 0.0000
469 I D 0.0000
470 V D 0.0000
471 I D 0.0000
472 I D 0.0000
473 M D 0.0000
474 N D 0.0000
475 N D 0.0000
476 Q D -2.1039
477 S D 0.0000
478 W D 0.0000
479 G D 0.0000
480 W D 0.4041
481 T D 0.0000
482 L D 0.0000
483 H D 0.0000
484 F D 0.4079
485 Q D 0.0000
486 Q D -0.6016
487 L D 0.4523
488 A D 1.0071
489 V D 0.7562
490 G D -0.3525
491 P D -0.9840
492 N D -1.5720
493 R D -0.9836
494 V D -0.5555
495 T D -0.4171
496 G D -0.3741
497 T D 0.0000
498 R D -2.2988
499 L D 0.0000
500 E D -2.8414
501 N D -1.7541
502 G D -0.9523
503 S D -0.5361
504 Y D 0.0000
505 H D -0.6407
506 G D -0.5129
507 V D 0.0000
508 A D 0.0000
509 A D -0.4318
510 A D -0.4112
511 F D 0.0000
512 G D -0.6534
513 A D 0.0000
514 D D -0.8377
515 G D -0.7438
516 Y D -0.5797
517 H D -1.4286
518 V D 0.0000
519 D D -2.1647
520 S D -1.6382
521 V D -0.7571
522 E D -1.8292
523 S D -1.3211
524 F D 0.0000
525 S D -0.8278
526 A D -0.5851
527 A D 0.0000
528 L D 0.0000
529 A D -0.4210
530 Q D -0.9411
531 A D 0.0000
532 L D -0.7308
533 A D -0.9671
534 H D -1.9080
535 N D -2.4506
536 R D -2.5316
537 P D 0.0000
538 A D 0.0000
539 C D 0.0000
540 I D 0.0000
541 N D 0.0000
542 V D 0.0000
543 A D -0.9637
544 V D 0.0000
545 A D -0.7926
546 L D -0.4417
547 D D -1.2662
548 P D -0.2719
549 I D 1.1504
550 P D 0.0000
551 P D 0.0000
552 E D 0.0000
553 E D 0.0000
554 L D 0.8026
555 I D 0.0000
556 L D 1.0789
557 I D 1.3674
558 G D 0.0503
559 M D 0.0000
560 D D -0.3425
561 P D 0.2088
562 F D 0.4120
563 A D -0.0337
564 G D -0.4565
565 S D -0.7885
566 T D -1.0405
567 E D -1.5785
568 N D 0.0904
569 L D 1.6181
570 Y D 2.0435
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Laboratory of Theory of Biopolymers 2018