Project name: 4QQ8_analysis

Status: done

Started: 2026-05-21 10:38:48
Settings
Chain sequence(s) A: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARRTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAG
C: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAGSTENLY
B: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARRTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAG
D: AMITGGELVVRTLIKAGVEHLFGLHGIHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVALVTAGGGFTNAVTPIANARRTDRTPVLFLTGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGAHPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGGLTYLWLSEVMSRVKPGGFLCHGYLNSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGWTLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFAGSTENLY
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:36:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:24)
Show buried residues

Minimal score value
-3.0379
Maximal score value
2.4255
Average score
-0.4201
Total score value
-951.1323

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 -0.3743
3 M A -0.0978
4 I A -0.1682
5 T A -0.4365
6 G A 0.0000
7 G A 0.0000
8 E A -0.6357
9 L A 0.0000
10 V A 0.0000
11 V A 0.0000
12 R A -0.6085
13 T A 0.0000
14 L A 0.0000
15 I A -1.0261
16 K A -2.0295
17 A A -1.2795
18 G A -1.2459
19 V A 0.0000
20 E A -2.1782
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 0.2375
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 -0.7626
39 D A -2.1833
40 H A -1.9170
41 D A -2.4758
42 V A 0.0000
43 P A -0.7507
44 I A -0.1300
45 I A 0.0000
46 D A 0.0000
47 T A 0.0000
48 R A 0.0000
49 H A -0.1133
50 E A 0.0000
51 A A -0.0944
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 -0.2202
64 G A -0.6341
65 A A -0.4008
66 K A -0.7063
67 L A 0.0000
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 -0.1921
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 -0.7527
90 T A -0.4329
91 D A 0.0000
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 -2.6233
106 D A -2.1383
107 D A -1.6129
108 E A -1.1765
109 T A -0.9677
110 N A -0.6759
111 T A -0.5423
112 L A 0.0000
113 Q A 0.0000
114 A A -0.7411
115 G A -1.1159
116 I A 0.0000
117 D A -1.5438
118 Q A 0.0000
119 V A -0.3077
120 A A -0.4664
121 M A 0.0000
122 A A 0.0000
123 A A -0.0310
124 P A -0.5265
125 I A 0.0000
126 T A -0.4946
127 K A -0.9262
128 W A -0.2305
129 A A -0.1555
130 H A -0.2383
131 R A -0.5768
132 V A 0.0000
133 M A 0.0000
134 A A -1.1662
135 T A 0.0000
136 E A -1.8446
137 H A 0.0000
138 I A 0.0000
139 P A 0.0000
140 R A -0.2866
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 -0.1577
149 A A 0.0000
150 L A 0.1760
151 S A 0.0557
152 A A -0.1646
153 P A -0.3849
154 R A -0.3437
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 -0.0649
164 D A 0.0000
165 I A 0.0000
166 L A 0.0000
167 M A -0.0161
168 N A -0.6151
169 Q A -1.2782
170 I A -1.2437
171 D A -2.0593
172 E A -1.8627
173 D A -2.0777
174 S A -1.2265
175 V A -0.1823
176 I A 1.2215
177 I A 0.3845
178 P A -0.4940
179 D A -1.6309
180 L A -0.7504
181 V A 0.1074
182 L A 0.3382
183 S A 0.0939
184 A A -0.0954
185 H A -0.6858
186 G A -0.3786
187 A A -0.2316
188 H A -0.3298
189 P A 0.0000
190 D A 0.0000
191 P A -0.8941
192 A A -0.9355
193 D A 0.0000
194 L A -1.0152
195 D A -2.1042
196 Q A -1.5248
197 A A 0.0000
198 L A 0.0000
199 A A -1.6487
200 L A -1.6970
201 L A 0.0000
202 R A -2.8333
203 K A -3.0160
204 A A -2.5754
205 E A -2.7968
206 R A -2.0505
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 0.0000
214 E A 0.0000
215 A A 0.0000
216 S A -0.3264
217 R A 0.0000
218 T A 0.0000
219 A A -0.7751
220 R A -1.3246
221 K A -2.0455
222 T A -1.1334
223 A A 0.0000
224 L A 0.0000
225 S A -0.6640
226 A A -0.4284
227 F A 0.0000
228 V A 0.0000
229 A A 0.0534
230 A A -0.0459
231 T A 0.0000
232 G A -0.4722
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 0.0000
239 Y A 0.1379
240 E A 0.0000
241 G A 0.0000
242 L A 0.0000
243 S A -0.2356
244 M A 0.0000
245 L A 0.0000
246 S A -1.4301
247 G A -1.2747
248 L A 0.0000
249 P A -1.1087
250 D A -2.2123
251 A A -0.9319
252 M A -0.5945
253 R A -1.1163
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 -0.1664
260 L A 0.0000
261 Y A 0.0000
262 S A -1.0104
263 F A 0.0000
264 A A -1.4825
265 K A -2.2301
266 A A -1.7092
267 D A -2.2962
268 A A 0.0000
269 A A -1.1246
270 P A 0.0000
271 D A -1.5920
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 -0.2995
280 F A 0.0000
281 G A 0.0000
282 L A 0.0050
283 N A -0.1132
284 T A 0.0000
285 G A -0.3439
286 H A -0.4791
287 G A -0.5759
288 S A -0.6883
289 G A -0.8497
290 Q A -0.8284
291 L A 0.0000
292 I A 0.0000
293 P A -1.0007
294 H A -1.5471
295 S A -1.0572
296 A A 0.0000
297 Q A -1.1455
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 -0.1858
304 D A -0.4368
305 A A 0.0000
306 C A 0.0589
307 E A 0.0000
308 L A 0.0000
309 G A -0.3168
310 R A 0.0000
311 L A -0.2597
312 Q A -0.4005
313 G A -0.7740
314 I A 0.0000
315 A A -0.3077
316 L A 0.0414
317 G A 0.0000
318 I A 0.0000
319 V A 0.1417
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 -1.1771
328 A A 0.0000
329 L A 0.0000
330 A A -0.8905
331 Q A -1.7092
332 A A -1.5367
333 T A 0.0000
334 A A -1.2001
335 Q A -2.0282
336 D A -1.9003
337 A A -0.8460
338 A A -0.8104
339 W A -0.8731
340 P A -1.7795
341 D A -2.2405
342 R A 0.0000
343 G A -1.8631
344 D A -2.4963
345 W A 0.0000
346 C A 0.0000
347 A A -1.5161
348 K A -1.9955
349 V A 0.0000
350 T A -2.0143
351 D A -2.7119
352 L A -1.8041
353 A A -1.7359
354 Q A -2.4442
355 E A -2.5179
356 R A 0.0000
357 Y A -1.0221
358 A A -0.9323
359 S A -0.9392
360 I A 0.0000
361 A A -0.7637
362 A A -0.7845
363 K A -1.7324
364 S A -1.1479
365 S A -1.3901
366 S A -1.3655
367 E A -2.3820
368 H A -1.9006
369 A A -1.2757
370 L A 0.0000
371 H A 0.0000
372 P A 0.0000
373 F A 0.0000
374 H A -0.4687
375 A A 0.0000
376 S A 0.0000
377 Q A -0.8052
378 V A 0.0000
379 I A 0.0000
380 A A -1.5674
381 K A -2.1224
382 H A -1.5110
383 V A 0.0000
384 D A -2.3861
385 A A -1.2819
386 G A -1.1625
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 0.0000
394 G A -0.0259
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 -0.9940
406 R A -2.2172
407 V A -1.8444
408 K A -1.8494
409 P A 0.0000
410 G A -0.8851
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 -0.1060
417 Y A 0.0000
418 L A 0.0000
419 N A -0.2151
420 S A 0.0000
421 M A 0.1490
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 -0.7175
435 D A 0.0000
436 L A -0.2854
437 E A -1.5804
438 A A -0.9290
439 G A -0.8923
440 R A -0.9568
441 R A -0.6146
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 -0.0596
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 -0.9102
463 R A -1.4497
464 K A -1.2973
465 Q A -1.9101
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 -2.0211
477 S A 0.0000
478 W A 0.0000
479 G A -0.5525
480 W A 0.3365
481 T A 0.0000
482 L A 0.0000
483 H A 0.0000
484 F A 0.8088
485 Q A 0.0000
486 Q A -0.0746
487 L A 1.2811
488 A A 0.9805
489 V A 0.9231
490 G A -0.0144
491 P A -0.7532
492 N A -1.5327
493 R A -0.8081
494 V A -0.5675
495 T A -0.4490
496 G A -0.4542
497 T A 0.0000
498 R A -2.6069
499 L A 0.0000
500 E A -2.8871
501 N A -1.7958
502 G A -0.9405
503 S A -0.5248
504 Y A 0.0000
505 H A -0.6146
506 G A -0.4906
507 V A 0.0000
508 A A 0.0000
509 A A -0.3992
510 A A -0.3974
511 F A 0.0000
512 G A -0.6255
513 A A 0.0000
514 D A -0.7218
515 G A -0.6601
516 Y A -0.5669
517 H A -1.4248
518 V A 0.0000
519 D A -2.2286
520 S A -1.7189
521 V A -1.0931
522 E A -1.9793
523 S A -1.4320
524 F A 0.0000
525 S A -0.9106
526 A A -0.6261
527 A A 0.0000
528 L A 0.0000
529 A A -0.3958
530 Q A -0.8908
531 A A 0.0000
532 L A -0.6715
533 A A -0.9070
534 H A -1.7956
535 N A -2.2906
536 R A -2.1985
537 P A -1.2710
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 -0.9402
544 V A 0.0000
545 A A -0.8024
546 L A -0.6091
547 D A -1.4815
548 P A -0.6250
549 I A 0.4088
550 P A 0.0000
551 P A 0.0000
552 E A 0.5168
553 E A 0.0000
554 L A 1.3002
555 I A 1.1567
556 L A 1.7065
557 I A 2.3639
558 G A 0.9601
559 M A 1.1208
560 D A 0.1337
561 P A 0.1973
562 F A 0.4246
563 A A -0.1621
564 G A -0.3969
2 A B -0.3663
3 M B -0.1006
4 I B -0.3321
5 T B -0.4442
6 G B 0.0000
7 G B 0.0000
8 E B -0.6475
9 L B 0.0000
10 V B 0.0000
11 V B 0.0000
12 R B -0.6048
13 T B 0.0000
14 L B 0.0000
15 I B -0.7635
16 K B -1.9306
17 A B -1.2049
18 G B -1.2376
19 V B 0.0000
20 E B -2.1444
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 0.2311
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 -0.8077
39 D B -2.2237
40 H B -1.9559
41 D B -2.5058
42 V B 0.0000
43 P B -0.7882
44 I B -0.2019
45 I B 0.0000
46 D B 0.0000
47 T B 0.0000
48 R B 0.0000
49 H B -0.1061
50 E B 0.0000
51 A B -0.0948
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 -0.2322
64 G B -0.6343
65 A B -0.5444
66 K B -1.0640
67 L B -0.6219
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 -0.1932
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 -0.7122
90 T B -0.3698
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 -2.6289
106 D B -2.1832
107 D B -1.6468
108 E B -1.1850
109 T B -0.9556
110 N B -0.6462
111 T B -0.4967
112 L B -0.0751
113 Q B -0.2395
114 A B -0.7503
115 G B -1.1031
116 I B 0.0000
117 D B -1.4979
118 Q B 0.0000
119 V B -0.2979
120 A B -0.4466
121 M B 0.0000
122 A B 0.0000
123 A B -0.1746
124 P B -0.5354
125 I B 0.0000
126 T B -0.4701
127 K B -0.8826
128 W B -0.2042
129 A B -0.1492
130 H B -0.2489
131 R B -0.5901
132 V B 0.0000
133 M B 0.0000
134 A B -1.1671
135 T B 0.0000
136 E B -1.8528
137 H B 0.0000
138 I B 0.0000
139 P B 0.0000
140 R B -0.3276
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 -0.1395
149 A B 0.0000
150 L B 0.1399
151 S B 0.0620
152 A B -0.1560
153 P B -0.3734
154 R B -0.3160
155 G B 0.0000
156 P B 0.0000
157 V B 0.0000
158 L B 0.0000
159 L B 0.0000
160 D B 0.0000
161 L B 0.0000
162 P B 0.0000
163 W B -0.0783
164 D B 0.0000
165 I B 0.0000
166 L B 0.0000
167 M B -0.0349
168 N B -0.6975
169 Q B -1.3123
170 I B -1.2604
171 D B -2.0672
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525 S C -0.8992
526 A C -0.6085
527 A C 0.0000
528 L C 0.0000
529 A C -0.3764
530 Q C -0.8485
531 A C 0.0000
532 L C -0.6350
533 A C -0.8543
534 H C -1.6952
535 N C -2.2265
536 R C -2.0974
537 P C -1.2071
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 -0.9644
544 V C -0.6058
545 A C -0.7568
546 L C -0.4057
547 D C -1.2003
548 P C -0.1743
549 I C 1.2869
550 P C 0.0000
551 P C 0.0000
552 E C 0.4718
553 E C 0.0000
554 L C 0.8902
555 I C 0.6725
556 L C 1.0773
557 I C 1.5344
558 G C 0.2831
559 M C 0.0000
560 D C -0.2471
561 P C 0.2699
562 F C 0.4450
563 A C -0.0265
564 G C -0.4491
565 S C -0.8264
566 T C -1.0490
567 E C -1.6245
568 N C -0.0258
569 L C 1.5860
570 Y C 2.0519
2 A D -0.4247
3 M D -0.1677
4 I D -0.2252
5 T D -0.4809
6 G D 0.0000
7 G D 0.0000
8 E D -0.6993
9 L D 0.0000
10 V D 0.0000
11 V D 0.0000
12 R D -0.7557
13 T D 0.0000
14 L D 0.0000
15 I D -1.1254
16 K D -2.1601
17 A D -1.3512
18 G D -1.2812
19 V D 0.0000
20 E D -2.1990
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 0.2210
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 -0.7047
39 D D -2.1563
40 H D -1.9116
41 D D -2.4570
42 V D 0.0000
43 P D -0.7690
44 I D -0.1907
45 I D 0.0000
46 D D 0.0000
47 T D 0.0000
48 R D 0.0000
49 H D -0.1033
50 E D 0.0000
51 A D -0.0940
52 A D 0.0000
53 A D 0.0000
54 G D 0.0000
55 H D 0.0000
56 A D 0.0000
57 A D 0.0000
58 E D 0.0000
59 G D 0.0000
60 Y D 0.0000
61 A D 0.0000
62 R D 0.0000
63 A D -0.2172
64 G D -0.6318
65 A D -0.4078
66 K D -0.7281
67 L D 0.0000
68 G D 0.0000
69 V D 0.0000
70 A D 0.0000
71 L D 0.0000
72 V D 0.0000
73 T D 0.0000
74 A D 0.0000
75 G D 0.0000
76 G D 0.0000
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78 F D 0.0000
79 T D 0.0000
80 N D -0.1944
81 A D 0.0000
82 V D 0.0000
83 T D 0.0000
84 P D 0.0000
85 I D 0.0000
86 A D 0.0000
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89 R D -0.7726
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91 D D 0.0000
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 0.0000
104 L D 0.0000
105 R D -2.6578
106 D D -2.2269
107 D D -1.6229
108 E D -1.1143
109 T D -0.9353
110 N D -0.5929
111 T D -0.5192
112 L D 0.0000
113 Q D 0.0000
114 A D -0.7181
115 G D -1.0745
116 I D 0.0000
117 D D -1.4920
118 Q D 0.0000
119 V D -0.3021
120 A D -0.4511
121 M D 0.0000
122 A D 0.0000
123 A D -0.1859
124 P D -0.5474
125 I D 0.0000
126 T D -0.5284
127 K D -0.9801
128 W D -0.2532
129 A D -0.1768
130 H D -0.2691
131 R D -0.6336
132 V D 0.0000
133 M D 0.0000
134 A D -1.2013
135 T D 0.0000
136 E D -1.9515
137 H D 0.0000
138 I D 0.0000
139 P D 0.0000
140 R D -0.3630
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 -0.1560
149 A D 0.0000
150 L D 0.1613
151 S D 0.0755
152 A D -0.1591
153 P D -0.4062
154 R D -0.3644
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 -0.0999
164 D D 0.0000
165 I D 0.0000
166 L D 0.0000
167 M D -0.0747
168 N D -0.7060
169 Q D -1.3437
170 I D -1.3097
171 D D -2.1356
172 E D -2.0232
173 D D -2.1894
174 S D -1.3269
175 V D -0.2234
176 I D 1.2239
177 I D 0.3732
178 P D -0.5330
179 D D -1.6647
180 L D -0.7738
181 V D 0.0959
182 L D 0.3512
183 S D 0.1461
184 A D -0.0609
185 H D -0.5710
186 G D -0.2914
187 A D -0.1213
188 H D 0.0000
189 P D 0.0000
190 D D 0.0000
191 P D -0.8566
192 A D -0.9179
193 D D 0.0000
194 L D -0.9849
195 D D -2.0901
196 Q D -1.5726
197 A D 0.0000
198 L D -1.0631
199 A D -1.2582
200 L D -1.3108
201 L D 0.0000
202 R D -1.6670
203 K D -2.4115
204 A D -2.2102
205 E D -2.6319
206 R D -1.9126
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 -0.3532
217 R D 0.0000
218 T D -0.4684
219 A D -0.6766
220 R D -1.2322
221 K D -2.0075
222 T D -1.1004
223 A D 0.0000
224 L D 0.0000
225 S D -0.6421
226 A D -0.3640
227 F D 0.0000
228 V D 0.0000
229 A D 0.0538
230 A D -0.1643
231 T D 0.0000
232 G D -0.4976
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 0.0706
240 E D -0.1009
241 G D 0.0000
242 L D 0.0000
243 S D -0.2704
244 M D 0.0000
245 L D 0.0000
246 S D -1.4246
247 G D -1.2738
248 L D 0.0000
249 P D -1.1092
250 D D -2.1982
251 A D -0.9453
252 M D -0.6076
253 R D -1.1056
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 -0.1241
260 L D 0.0000
261 Y D -0.3185
262 S D -0.8938
263 F D 0.0000
264 A D -1.4448
265 K D -2.2051
266 A D -1.6055
267 D D -2.2861
268 A D 0.0000
269 A D -1.1095
270 P D 0.0000
271 D D -1.4720
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 -0.2924
280 F D 0.0000
281 G D 0.0000
282 L D 0.0019
283 N D -0.1157
284 T D 0.0000
285 G D 0.0000
286 H D -0.4656
287 G D -0.5836
288 S D -0.7021
289 G D -0.8134
290 Q D -0.7418
291 L D 0.0000
292 I D 0.0000
293 P D -0.9786
294 H D -1.5255
295 S D -1.0469
296 A D 0.0000
297 Q D -1.0942
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 -0.2091
304 D D -0.4742
305 A D 0.0000
306 C D 0.0469
307 E D 0.0000
308 L D 0.0000
309 G D -0.2510
310 R D 0.0000
311 L D -0.2342
312 Q D -0.3670
313 G D -0.6799
314 I D -0.4623
315 A D -0.0176
316 L D 0.0956
317 G D 0.0000
318 I D 0.0000
319 V D 0.1452
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 -0.9473
328 A D 0.0000
329 L D 0.0000
330 A D 0.0000
331 Q D -1.2257
332 A D -1.2215
333 T D 0.0000
334 A D -1.0236
335 Q D -1.8170
336 D D -1.6462
337 A D -0.6630
338 A D -0.5193
339 W D -0.6329
340 P D -1.5452
341 D D -2.2765
342 R D 0.0000
343 G D -1.9729
344 D D -2.5434
345 W D 0.0000
346 C D 0.0000
347 A D -1.5152
348 K D -1.9889
349 V D 0.0000
350 T D -1.9758
351 D D -2.7026
352 L D -1.7983
353 A D -1.7232
354 Q D -2.4316
355 E D -2.5320
356 R D 0.0000
357 Y D -1.0254
358 A D -0.9517
359 S D -0.9634
360 I D 0.0000
361 A D -0.7474
362 A D -0.7883
363 K D -1.7335
364 S D -1.0234
365 S D -1.3418
366 S D -1.2636
367 E D -2.3724
368 H D -1.8954
369 A D -1.3035
370 L D 0.0000
371 H D 0.0000
372 P D 0.0000
373 F D 0.0000
374 H D -0.2211
375 A D 0.0000
376 S D 0.0000
377 Q D -0.7275
378 V D 0.0000
379 I D 0.0000
380 A D -1.5462
381 K D -2.1381
382 H D -1.5287
383 V D 0.0000
384 D D -2.3780
385 A D -1.2844
386 G D -1.1748
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 -0.0046
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 -0.9631
406 R D -2.1499
407 V D -1.8191
408 K D -1.8372
409 P D 0.0000
410 G D -0.8831
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 -0.1790
417 Y D 0.0000
418 L D 0.0000
419 N D -0.1836
420 S D 0.0000
421 M D 0.1766
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 -0.7174
435 D D 0.0000
436 L D -0.3034
437 E D -1.5868
438 A D -0.9330
439 G D -0.9006
440 R D -0.9677
441 R D -0.4407
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 -0.9478
463 R D -1.4202
464 K D -1.0961
465 Q D -1.8967
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 -1.9925
477 S D 0.0000
478 W D 0.0000
479 G D -0.4828
480 W D 0.3752
481 T D 0.0000
482 L D 0.0000
483 H D 0.0000
484 F D 0.4060
485 Q D 0.0000
486 Q D -0.5843
487 L D 0.4593
488 A D 1.0044
489 V D 0.7465
490 G D -0.3568
491 P D -0.9814
492 N D -1.5722
493 R D -0.9818
494 V D -0.5596
495 T D -0.4226
496 G D -0.3864
497 T D 0.0000
498 R D -2.3262
499 L D 0.0000
500 E D -2.8019
501 N D -1.7138
502 G D -0.9194
503 S D -0.5303
504 Y D 0.0000
505 H D -0.6451
506 G D -0.5133
507 V D 0.0000
508 A D 0.0000
509 A D -0.4370
510 A D -0.4167
511 F D 0.0000
512 G D -0.6621
513 A D 0.0000
514 D D -0.8706
515 G D -0.7496
516 Y D -0.5715
517 H D -1.4225
518 V D 0.0000
519 D D -2.1592
520 S D -1.6250
521 V D -0.7299
522 E D -1.8172
523 S D -1.3122
524 F D 0.0000
525 S D -0.8276
526 A D -0.5891
527 A D 0.0000
528 L D 0.0000
529 A D -0.4341
530 Q D -0.9651
531 A D 0.0000
532 L D -0.7474
533 A D -0.9834
534 H D -1.9329
535 N D -2.4807
536 R D -2.5975
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 -0.9436
544 V D 0.0000
545 A D -0.7706
546 L D -0.4217
547 D D -1.2686
548 P D -0.2715
549 I D 1.1118
550 P D 0.0000
551 P D 0.0000
552 E D 0.2632
553 E D 0.0000
554 L D 0.6013
555 I D 0.0000
556 L D 0.7619
557 I D 0.9900
558 G D -0.1488
559 M D 0.0000
560 D D -0.4174
561 P D 0.1714
562 F D 0.4100
563 A D -0.0352
564 G D -0.4574
565 S D -0.7900
566 T D -1.0480
567 E D -1.5878
568 N D 0.0332
569 L D 1.5603
570 Y D 1.9992
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Laboratory of Theory of Biopolymers 2018