Project name: fec72350f47465c

Status: done

Started: 2025-07-27 12:58:22
Settings
Chain sequence(s) A: PSFIDYFNGIYGFATGIKDIMNMIFKTDTGGDLTLDEILKNQQLLNDISGKLDGVNGSLNDLIAQGNLNTELSKEILKIANEQNQVLNDVNNKLDAINTMLRVYLPKLTSMLSDVMKQNYALSLQIEYLSKQLQEISDKLDIINVNVLINSTLTEITPAYQRIKYVNEKFEELTFATEDILDELTELTELAKSVTKNDVDGFEFYLNTFHDVMVGNNLFGRSALKTASELITKENVKTSGSEVGNVYNFLIVLTALQAKAFLTLTTCRKLLGLADIDYTSIMNEHLNKEKEEFRVNILPTLSNTFSNPNYAKVKGSDEDAKMIVEAKPGHALIGFEISNDSITVLKVYEAKLKQNYQVDKDSLSEVIYGDMDKLLCPDQSEQIYYTNNIVFPNEYVITKIDFTKKMKTLRYEVTANFYDSSTGEIDLNKKKVESSEAEYRTLSANDDGVYMPLGVISETFLTPINGFGLQADENSRLITLTCKSYLRELLLATDLSNKETKLIVPPSGFISNIVENGSIEEDNLEPWKANNKNAYVDHTGGVNGTKALYVHKDGGISQFIGDKLKPKTEYVIQYTVKGKPSIHLKDENTGYIHYEDTNNNLEDYQTINKRFTTGTDLKGVYLILKSQNGDEAWGDNFIILEISPSEKLLSPELINTNNWTSTGSTNISGNTLTLYQGGRGILKQNLQLDSFSTYRVYFSVSGDANVRIRNSREVLFEKRYMSGAKDVSEMFTTKFEKDNFYIELSQGNNLYGGPIVHFYDVSIK
C: PSFIDYFNGIYGFATGIKDIMNMIFKTDTGGDLTLDEILKNQQLLNDISGKLDGVNGSLNDLIAQGNLNTELSKEILKIANEQNQVLNDVNNKLDAINTMLRVYLPKLTSMLSDVMKQNYALSLQIEYLSKQLQEISDKLDIINVNVLINSTLTEITPAYQRIKYVNEKFEELTFATEDILDELTELTELAKSVTKNDVDGFEFYLNTFHDVMVGNNLFGRSALKTASELITKENVKTSGSEVGNVYNFLIVLTALQAKAFLTLTTCRKLLGLADIDYTSIMNEHLNKEKEEFRVNILPTLSNTFSNPNYAKVKGSDEDAKMIVEAKPGHALIGFEISNDSITVLKVYEAKLKQNYQVDKDSLSEVIYGDMDKLLCPDQSEQIYYTNNIVFPNEYVITKIDFTKKMKTLRYEVTANFYDSSTGEIDLNKKKVESSEAEYRTLSANDDGVYMPLGVISETFLTPINGFGLQADENSRLITLTCKSYLRELLLATDLSNKETKLIVPPSGFISNIVENGSIEEDNLEPWKANNKNAYVDHTGGVNGTKALYVHKDGGISQFIGDKLKPKTEYVIQYTVKGKPSIHLKDENTGYIHYEDTNNNLEDYQTINKRFTTGTDLKGVYLILKSQNGDEAWGDNFIILEISPSEKLLSPELINTNNWTSTGSTNISGNTLTLYQGGRGILKQNLQLDSFSTYRVYFSVSGDANVRIRNSREVLFEKRYMSGAKDVSEMFTTKFEKDNFYIELSQGNNLYGGPIVHFYDVSIK
B: PSFIDYFNGIYGFATGIKDIMNMIFKTDTGGDLTLDEILKNQQLLNDISGKLDGVNGSLNDLIAQGNLNTELSKEILKIANEQNQVLNDVNNKLDAINTMLRVYLPKLTSMLSDVMKQNYALSLQIEYLSKQLQEISDKLDIINVNVLINSTLTEITPAYQRIKYVNEKFEELTFATPADILDELTELTELAKSVTKNDVDGFEFYLNTFHDVMVGNNLFGRSALKTASELITKENVKTSGSEVGNVYNFLIVLTALQAKAFLTLTTCRKLLGLADIDYTSIMNEHLNKEKEEFRVNILPTLSNTFSNPNYAKVKGSDEDAKMIVEAKPGHALIGFEISNDSITVLKVYEAKLKQNYQVDKDSLSEVIYGDMDKLLCPDQSEQIYYTNNIVFPNEYVITKIDFTKKMKTLRYEVTANFYDSSTGEIDLNKKKVESSEAEYRTLSANDDGVYMPLGVISETFLTPINGFGLQADENSRLITLTCKSYLRELLLATDLSNKETKLIVPPSGFISNIVENGSIEEDNLEPWKANNKNAYVDHTGGVNGTKALYVHKDGGISQFIGDKLKPKTEYVIQYTVKGKPSIHLKDENTGYIHYEDTNNNLEDYQTINKRFTTGTDLKGVYLILKSQNGDEAWGDNFIILEISPSEKLLSPELINTNNWTSTGSTNISGNTLTLYQGGRGILKQNLQLDSFSTYRVYFSVSGDANVRIRNSREVLFEKRYMSGAKDVSEMFTTKFEKDNFYIELSQGNNLYGGPIVHFYDVSIK
D: PSFIDYFNGIYGFATGIKDIMNMIFKTDTGGDLTLDEILKNQQLLNDISGKLDGVNGSLNDLIAQGNLNTELSKEILKIANEQNQVLNDVNNKLDAINTMLRVYLPKLTSMLSDVMKQNYALSLQIEYLSKQLQEISDKLDIINVNVLINSTLTEITPAYQRIKYVNEKFEELTFATPADILDELTELTELAKSVTKNDVDGFEFYLNTFHDVMVGNNLFGRSALKTASELITKENVKTSGSEVGNVYNFLIVLTALQAKAFLTLTTCRKLLGLADIDYTSIMNEHLNKEKEEFRVNILPTLSNTFSNPNYAKVKGSDEDAKMIVEAKPGHALIGFEISNDSITVLKVYEAKLKQNYQVDKDSLSEVIYGDMDKLLCPDQSEQIYYTNNIVFPNEYVITKIDFTKKMKTLRYEVTANFYDSSTGEIDLNKKKVESSEAEYRTLSANDDGVYMPLGVISETFLTPINGFGLQADENSRLITLTCKSYLRELLLATDLSNKETKLIVPPSGFISNIVENGSIEEDNLEPWKANNKNAYVDHTGGVNGTKALYVHKDGGISQFIGDKLKPKTEYVIQYTVKGKPSIHLKDENTGYIHYEDTNNNLEDYQTINKRFTTGTDLKGVYLILKSQNGDEAWGDNFIILEISPSEKLLSPELINTNNWTSTGSTNISGNTLTLYQGGRGILKQNLQLDSFSTYRVYFSVSGDANVRIRNSREVLFEKRYMSGAKDVSEMFTTKFEKDNFYIELSQGNNLYGGPIVHFYDVSIK
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]                                                (00:00:00)
[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                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:55:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:56:32)
Show buried residues

Minimal score value
-4.245
Maximal score value
1.5525
Average score
-0.8825
Total score value
-2698.8322

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
14 P A -0.5131
15 S A -0.2321
16 F A 0.0000
17 I A 0.3750
18 D A -1.3277
19 Y A -0.8963
20 F A 0.0000
21 N A -1.5431
22 G A 0.0000
23 I A 0.0000
24 Y A -0.7068
25 G A -0.9604
26 F A 0.0000
27 A A 0.0000
28 T A -0.9487
29 G A -1.1645
30 I A 0.0000
31 K A -2.0513
32 D A -2.5348
33 I A 0.0000
34 M A 0.0000
35 N A -2.4661
36 M A -1.6597
37 I A 0.0000
38 F A -1.8431
39 K A -2.4789
40 T A -2.0070
41 D A -2.7515
42 T A -1.6597
43 G A -1.4407
44 G A -1.9176
45 D A -2.4277
46 L A -1.0877
47 T A 0.0000
48 L A 0.0000
49 D A -1.3870
50 E A -1.4977
51 I A 0.0000
52 L A -1.1695
53 K A -2.2767
54 N A 0.0000
55 Q A -2.1106
56 Q A -2.2986
57 L A -1.4905
58 L A 0.0000
59 N A -2.3806
60 D A -2.3434
61 I A 0.0000
62 S A -2.2014
63 G A -2.3037
64 K A -2.4861
65 L A 0.0000
66 D A -2.8599
67 G A -2.0536
68 V A 0.0000
69 N A 0.0000
70 G A -1.6767
71 S A -1.3438
72 L A 0.0000
73 N A -1.3712
74 D A -2.2869
75 L A -1.4279
76 I A -0.8227
77 A A -1.3908
78 Q A -1.9124
79 G A -1.3915
80 N A -1.0664
81 L A 0.2111
82 N A -1.0709
83 T A -1.7278
84 E A -2.5654
85 L A -1.8111
86 S A -1.7982
87 K A -2.9750
88 E A -2.6682
89 I A 0.0000
90 L A -1.5448
91 K A -2.9335
92 I A 0.0000
93 A A 0.0000
94 N A -3.0173
95 E A -3.4748
96 Q A 0.0000
97 N A -3.0210
98 Q A -3.1357
99 V A 0.0000
100 L A 0.0000
101 N A -3.1989
102 D A -2.9361
103 V A 0.0000
104 N A -2.9981
105 N A -3.2459
106 K A -2.7903
107 L A -2.5160
108 D A -2.8201
109 A A -1.8843
110 I A 0.0000
111 N A -1.4790
112 T A -1.0894
113 M A -0.7256
114 L A 0.0000
115 R A -1.6814
116 V A -0.3807
117 Y A 0.0000
118 L A 0.0000
119 P A -0.7657
120 K A -1.4703
121 L A 0.0000
122 T A -0.9669
123 S A -1.3553
124 M A 0.0000
125 L A 0.0000
126 S A -1.7168
127 D A -2.5720
128 V A 0.0000
129 M A 0.0000
130 K A -2.1001
131 Q A -1.4319
132 N A 0.0000
133 Y A 0.3399
134 A A 0.1467
135 L A 0.2145
136 S A 0.2657
137 L A 0.7829
138 Q A -0.0386
139 I A -0.2837
140 E A -1.4568
141 Y A -0.8714
142 L A 0.0000
143 S A -1.1875
144 K A -2.0814
145 Q A -1.6575
146 L A -1.2332
147 Q A -1.9714
148 E A -2.8172
149 I A -1.7402
150 S A 0.0000
151 D A -2.3732
152 K A -2.0347
153 L A 0.0000
154 D A -0.6668
155 I A 0.7165
156 I A 0.0000
157 N A -1.3314
158 V A -0.8389
159 N A -1.2616
160 V A -0.2788
161 L A 0.0619
162 I A -0.2831
163 N A 0.0000
164 S A -0.4479
165 T A -0.5210
166 L A 0.0000
167 T A -0.6906
168 E A -1.2116
169 I A 0.0000
170 T A 0.0000
171 P A -0.4369
172 A A 0.0000
173 Y A 0.0000
174 Q A -0.2466
175 R A 0.0000
176 I A 0.0000
177 K A -0.6363
178 Y A 0.0000
179 V A 0.0000
180 N A 0.0000
181 E A -1.9606
182 K A -1.4940
183 F A 0.0000
184 E A -0.9703
185 E A -1.6646
186 L A 0.0000
187 T A 0.0000
188 F A 0.4727
189 A A -0.3394
190 T A -0.8344
191 E A -1.2340
204 D A -2.1763
205 I A -1.0188
206 L A -1.3003
207 D A -2.9520
208 E A -2.6278
209 L A 0.0000
210 T A -1.5850
211 E A -1.6684
212 L A 0.0000
213 T A -1.0768
214 E A -1.2307
215 L A 0.0000
216 A A 0.0000
217 K A -1.1848
218 S A 0.0000
219 V A 0.0000
220 T A -0.4937
221 K A -1.0208
222 N A 0.0000
223 D A -0.8880
224 V A 0.0000
225 D A -0.7705
226 G A 0.0000
227 F A 0.0000
228 E A -0.5476
229 F A 0.0000
230 Y A -0.2630
231 L A 0.0000
232 N A -0.3413
233 T A -0.5071
234 F A 0.0000
235 H A 0.0000
236 D A -0.7605
237 V A -0.5701
238 M A 0.0000
239 V A 0.0000
240 G A -1.1300
241 N A -1.2771
242 N A -0.9533
243 L A 0.0000
244 F A 0.0000
245 G A -1.1627
246 R A -1.3979
247 S A -1.0258
248 A A 0.0000
249 L A 0.0000
250 K A -0.8562
251 T A 0.0000
252 A A -0.2046
253 S A 0.0000
254 E A -0.9290
255 L A -0.6387
256 I A 0.0000
257 T A -1.4382
258 K A -2.5075
259 E A -2.9657
260 N A -2.3529
261 V A 0.0000
262 K A -1.8090
263 T A -1.3631
264 S A -0.5610
265 G A -0.2574
266 S A 0.0000
267 E A -0.8280
268 V A 0.0000
269 G A 0.0000
270 N A -0.2591
271 V A 0.0000
272 Y A 0.0000
273 N A 0.0000
274 F A 0.2697
275 L A 0.0000
276 I A 0.0000
277 V A 0.2203
278 L A 0.0000
279 T A 0.0000
280 A A 0.0000
281 L A 0.2447
282 Q A 0.0000
283 A A 0.0000
284 K A 0.0000
285 A A 0.0000
286 F A 0.0000
287 L A 0.0000
288 T A 0.0000
289 L A 0.0000
290 T A 0.0000
291 T A 0.0000
292 C A 0.0000
293 R A 0.0000
294 K A -0.5213
295 L A 0.0000
296 L A 0.0000
297 G A -0.9191
298 L A -0.3896
299 A A -0.9487
300 D A -1.4021
301 I A 0.0221
302 D A -0.8714
303 Y A 0.0000
304 T A 0.0000
305 S A -0.5495
306 I A -0.3277
307 M A 0.0000
308 N A -1.2898
309 E A -2.1497
310 H A 0.0000
311 L A 0.0000
312 N A -2.1997
313 K A -2.4396
314 E A 0.0000
315 K A 0.0000
316 E A -2.2539
317 E A -1.3893
318 F A 0.0000
319 R A -0.7869
320 V A 0.3528
321 N A -0.8384
322 I A 0.0000
323 L A 0.0000
324 P A -0.2575
325 T A -0.1937
326 L A -0.3019
327 S A -0.3734
328 N A -0.4819
329 T A -0.3529
330 F A 0.0000
331 S A -0.2826
332 N A 0.0000
333 P A -0.6944
334 N A -1.0112
335 Y A -0.2912
336 A A -1.0002
337 K A -1.8607
338 V A 0.0000
339 K A -3.2887
340 G A 0.0000
341 S A -2.6317
342 D A -3.3170
343 E A -3.4658
344 D A -3.2613
345 A A 0.0000
346 K A -1.7666
347 M A 0.0000
348 I A -0.7954
349 V A 0.0000
350 E A -2.1873
351 A A -1.8085
352 K A -2.4179
353 P A -1.6703
354 G A -1.6737
355 H A -1.6899
356 A A 0.0000
357 L A 0.0000
358 I A 0.0000
359 G A 0.0000
360 F A 0.0000
361 E A -0.0602
362 I A 0.0000
363 S A -0.6495
364 N A -1.4218
365 D A -2.0037
366 S A -1.2230
367 I A -0.9980
368 T A 0.0000
369 V A 0.0000
370 L A 0.0000
371 K A 0.0000
372 V A 0.0000
373 Y A 0.0000
374 E A 0.0000
375 A A 0.0000
376 K A -2.4212
377 L A 0.0000
378 K A -2.8999
379 Q A -2.4380
380 N A -1.4167
381 Y A 0.0000
382 Q A -1.4419
383 V A 0.0000
384 D A -1.9064
385 K A -1.9489
386 D A -2.2417
387 S A -1.3862
388 L A -0.7467
389 S A -0.2087
390 E A 0.0000
391 V A 0.0163
392 I A 0.0000
393 Y A 0.0000
394 G A -0.6297
395 D A 0.0000
396 M A 0.0000
397 D A -1.3915
398 K A -2.3592
399 L A 0.0000
400 L A 0.0000
401 C A 0.0000
402 P A 0.0000
403 D A -3.6549
404 Q A -3.1080
405 S A -1.8656
406 E A -1.5110
407 Q A 0.0000
408 I A -0.3074
409 Y A 0.0000
410 Y A 0.0000
411 T A 0.0000
412 N A -0.8494
413 N A -0.6843
414 I A 0.0000
415 V A 1.4148
416 F A 0.0000
417 P A -0.3481
418 N A -1.1315
419 E A -1.2021
420 Y A -0.8677
421 V A 0.0000
422 I A 0.0000
423 T A 0.0000
424 K A -1.6211
425 I A 0.0000
426 D A -0.6759
427 F A 0.0000
428 T A -0.8941
429 K A 0.0000
430 K A -1.4688
431 M A -1.3009
432 K A -1.5050
433 T A 0.0000
434 L A 0.0000
435 R A -0.3659
436 Y A 0.0000
437 E A -0.7772
438 V A 0.0000
439 T A 0.0000
440 A A 0.0000
441 N A 0.0000
442 F A -1.0732
443 Y A 0.0000
444 D A -2.5366
445 S A -1.8508
446 S A -1.5069
447 T A -1.8438
448 G A -2.8723
449 E A -3.0905
450 I A 0.0000
451 D A -2.0615
452 L A -0.3683
453 N A -1.3300
454 K A -2.1530
455 K A -2.1454
456 K A -2.3486
457 V A -0.6796
458 E A -0.7624
459 S A 0.0000
460 S A -0.3579
461 E A 0.0000
462 A A -0.6255
463 E A -1.5798
464 Y A -0.4513
465 R A -1.9074
466 T A -1.1723
467 L A 0.0000
468 S A -1.3592
469 A A -1.7359
470 N A -2.5440
471 D A -3.3870
472 D A -3.0522
473 G A 0.0000
474 V A 0.0000
475 Y A -0.4024
476 M A 0.0000
477 P A 0.0000
478 L A -0.2116
479 G A -0.1664
480 V A 0.1283
481 I A 0.0000
482 S A 0.0000
483 E A 0.0000
484 T A 0.0000
485 F A 0.0000
486 L A 0.0000
487 T A 0.0000
488 P A 0.0000
489 I A 0.0000
490 N A 0.0000
491 G A 0.0000
492 F A 0.0000
493 G A 0.0000
494 L A 0.0000
495 Q A -1.3107
496 A A 0.0000
497 D A -2.6002
498 E A -3.2655
499 N A -2.5014
500 S A -1.4898
501 R A -1.6110
502 L A -0.7513
503 I A 0.0000
504 T A -0.3560
505 L A 0.0000
506 T A -0.4115
507 C A 0.0000
508 K A -0.1926
509 S A 0.0000
510 Y A 0.0000
511 L A 0.0000
512 R A -0.5023
513 E A -0.6274
514 L A 0.0000
515 L A 0.0000
516 L A -0.1523
517 A A -0.6545
518 T A 0.0000
519 D A 0.0000
520 L A 0.0000
521 S A -1.1873
522 N A -1.5716
523 K A -2.4615
524 E A -2.7733
525 T A 0.0000
526 K A -1.7140
527 L A 0.0000
528 I A 0.0000
529 V A 0.0000
530 P A 0.0808
531 P A 0.2308
532 S A -0.2481
533 G A -0.1399
534 F A 0.6206
535 I A 1.0011
536 S A 0.1334
537 N A -0.5239
538 I A -0.9513
539 V A 0.0000
540 E A -1.8074
541 N A -2.4710
542 G A 0.0000
543 S A -1.3536
544 I A 0.0000
545 E A -3.6492
546 E A -4.1142
547 D A -3.7910
548 N A -3.3614
549 L A -2.4511
550 E A -3.0509
551 P A -1.6680
552 W A 0.0000
553 K A -1.8735
554 A A -1.7184
555 N A -2.7982
556 N A -3.2489
557 K A -2.8902
558 N A -2.1645
559 A A 0.0000
560 Y A 0.4163
561 V A 0.0000
562 D A -0.5727
563 H A -1.6063
564 T A -0.7829
565 G A 0.0000
566 G A 0.0000
567 V A 0.4397
568 N A -1.0272
569 G A -1.1882
570 T A -1.6942
571 K A -2.0316
572 A A 0.0000
573 L A 0.0000
574 Y A 0.0000
575 V A 0.0000
576 H A -2.5372
577 K A -4.0427
578 D A -4.0227
579 G A 0.0000
580 G A 0.0000
581 I A 0.0000
582 S A 0.0000
583 Q A 0.0000
584 F A 0.9224
585 I A 0.0000
586 G A 0.0000
587 D A -3.2449
588 K A -2.8130
589 L A 0.0000
590 K A -3.4744
591 P A -2.2983
592 K A -2.4752
593 T A -2.0993
594 E A -2.2954
595 Y A 0.0000
596 V A 0.0000
597 I A 0.0000
598 Q A -0.6255
599 Y A 0.0000
600 T A 0.0000
601 V A 0.0000
602 K A -2.1354
603 G A -2.3222
604 K A -2.7562
605 P A 0.0000
606 S A 0.0000
607 I A 0.0000
608 H A 0.0000
609 L A 0.0000
610 K A -0.8190
611 D A 0.0000
612 E A -2.9474
613 N A -2.8030
614 T A -1.4083
615 G A -0.6955
616 Y A 0.0711
617 I A 0.3591
618 H A -0.1251
619 Y A 0.0000
620 E A -1.6154
621 D A 0.0000
622 T A -1.6632
623 N A -2.0632
624 N A -2.1021
625 N A -2.8396
626 L A -2.6840
627 E A -3.3559
628 D A -3.1505
629 Y A -1.4063
630 Q A -1.7508
631 T A -0.9035
632 I A -0.4470
633 N A -1.2430
634 K A -1.7989
635 R A -2.4263
636 F A -1.6135
637 T A -1.5307
638 T A 0.0000
639 G A -1.1695
640 T A -1.6467
641 D A -3.0697
642 L A -3.0318
643 K A -3.4226
644 G A -2.2488
645 V A 0.0000
646 Y A 0.1052
647 L A 0.0000
648 I A -0.0962
649 L A 0.0000
650 K A -1.8895
651 S A 0.0000
652 Q A -2.7033
653 N A -2.8875
654 G A -2.9581
655 D A -2.7479
656 E A -2.5254
657 A A 0.0000
658 W A -0.3024
659 G A 0.0000
660 D A 0.0000
661 N A -0.4020
662 F A 0.0000
663 I A -0.3203
664 I A 0.0000
665 L A 0.0000
666 E A -1.7874
667 I A 0.0000
668 S A -0.7877
669 P A -1.2890
670 S A -1.6359
671 E A -2.3803
672 K A -2.3986
673 L A -0.8264
674 L A 0.3316
675 S A -0.3810
676 P A -0.9482
677 E A -2.0465
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133 Y D 0.7095
134 A D 0.1626
135 L D 0.0275
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140 E D -1.9396
141 Y D 0.0000
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144 K D -2.2511
145 Q D -1.9357
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148 E D -3.3553
149 I D 0.0000
150 S D -2.4270
151 D D -3.4853
152 K D -3.1600
153 L D -2.3307
154 D D -2.1884
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158 V D 0.0000
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160 V D 0.0000
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163 N D -0.2782
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166 L D 0.1492
167 T D -0.2171
168 E D 0.0000
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171 P D -0.3188
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175 R D -0.4678
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185 E D -1.8704
186 L D -0.7057
187 T D 0.0000
188 F D 0.9780
189 A D 0.1228
190 T D 0.1563
202 P D -0.7123
203 A D -1.2791
204 D D -1.8196
205 I D -0.7396
206 L D -0.5281
207 D D -0.9505
208 E D -0.7390
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210 T D -0.7928
211 E D -0.7821
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213 T D -0.7975
214 E D -1.3484
215 L D 0.0000
216 A D 0.0000
217 K D -1.9085
218 S D 0.0000
219 V D 0.0000
220 T D -1.2747
221 K D -2.2072
222 N D -1.9152
223 D D -1.4182
224 V D 0.0000
225 D D -0.9120
226 G D 0.0000
227 F D 0.0000
228 E D -0.7915
229 F D 0.0000
230 Y D 0.0000
231 L D 0.0000
232 N D -0.3444
233 T D 0.0000
234 F D 0.0000
235 H D 0.0000
236 D D -0.5405
237 V D 0.0000
238 M D 0.0000
239 V D -0.8125
240 G D -0.4511
241 N D -0.6395
242 N D 0.0000
243 L D 0.0634
244 F D 0.0000
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246 R D 0.0000
247 S D 0.0000
248 A D 0.0000
249 L D 0.0000
250 K D -0.8274
251 T D 0.0000
252 A D 0.0000
253 S D 0.0000
254 E D -1.2639
255 L D 0.0000
256 I D 0.0000
257 T D -1.5493
258 K D -2.6060
259 E D -2.9988
260 N D -3.0091
261 V D -2.5174
262 K D -2.2394
263 T D -1.3317
264 S D -0.4350
265 G D -0.3556
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267 E D -0.6423
268 V D 0.0000
269 G D 0.0000
270 N D 0.0000
271 V D 0.0000
272 Y D 0.0000
273 N D 0.0000
274 F D 0.0000
275 L D 0.0000
276 I D 0.0000
277 V D 0.0000
278 L D 0.0000
279 T D 0.0000
280 A D 0.0000
281 L D 0.0000
282 Q D 0.0000
283 A D 0.0000
284 K D -0.5934
285 A D 0.0000
286 F D 0.0000
287 L D 0.0000
288 T D 0.0000
289 L D 0.0000
290 T D 0.0000
291 T D 0.0000
292 C D 0.0000
293 R D 0.0000
294 K D -0.5810
295 L D 0.0000
296 L D 0.0000
297 G D -0.0114
298 L D 0.4843
299 A D -0.9260
300 D D -2.0044
301 I D -1.4554
302 D D -1.3575
303 Y D 0.0000
304 T D 0.0000
305 S D -0.8239
306 I D -0.5708
307 M D 0.0000
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309 E D -2.4877
310 H D -1.8782
311 L D 0.0000
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313 K D -3.1464
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317 E D -1.6407
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323 L D 0.0000
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325 T D -0.4090
326 L D 0.0000
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328 N D -0.4948
329 T D -0.3682
330 F D 0.0000
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332 N D 0.0000
333 P D -0.6893
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335 Y D 0.0093
336 A D -0.5127
337 K D -1.4170
338 V D -1.5705
339 K D -3.1596
340 G D 0.0000
341 S D -3.0437
342 D D -4.1826
343 E D -3.7338
344 D D -3.2546
345 A D -2.6087
346 K D -1.7074
347 M D 0.0000
348 I D -0.8830
349 V D 0.0000
350 E D -2.1772
351 A D -1.7109
352 K D -2.0106
353 P D -1.2366
354 G D -1.3397
355 H D -1.4749
356 A D 0.0000
357 L D 0.0000
358 I D 0.0000
359 G D 0.0000
360 F D 0.0000
361 E D 0.0000
362 I D 0.0000
363 S D -0.5447
364 N D -1.0735
365 D D -1.9258
366 S D -1.1179
367 I D -0.8291
368 T D 0.0000
369 V D 0.0000
370 L D 0.0000
371 K D 0.0000
372 V D 0.0000
373 Y D 0.0000
374 E D 0.0000
375 A D 0.0000
376 K D -2.0628
377 L D 0.0000
378 K D -2.3295
379 Q D -2.1072
380 N D -1.1365
381 Y D 0.0000
382 Q D 0.0000
383 V D 0.0000
384 D D -1.6259
385 K D -1.8401
386 D D -2.2817
387 S D -1.3517
388 L D 0.0000
389 S D -0.4304
390 E D 0.0000
391 V D 0.0045
392 I D 0.0000
393 Y D 0.0000
394 G D -1.1345
395 D D -1.4115
396 M D 0.0000
397 D D -1.3887
398 K D -2.9730
399 L D 0.0000
400 L D 0.0000
401 C D 0.0000
402 P D 0.0000
403 D D -3.6248
404 Q D -3.4090
405 S D -2.4841
406 E D -2.8073
407 Q D 0.0000
408 I D -0.2925
409 Y D 0.0000
410 Y D 0.0000
411 T D 0.0000
412 N D -0.7603
413 N D -0.4927
414 I D 0.0000
415 V D 1.4240
416 F D 0.0000
417 P D -0.3949
418 N D -1.1794
419 E D -0.9789
420 Y D -0.7420
421 V D 0.0000
422 I D 0.0000
423 T D -1.1354
424 K D -1.6548
425 I D 0.0000
426 D D -0.8832
427 F D 0.0000
428 T D -0.8089
429 K D 0.0000
430 K D -1.1950
431 M D -1.5348
432 K D -2.0827
433 T D 0.0000
434 L D 0.0000
435 R D -0.3904
436 Y D 0.0000
437 E D -1.1944
438 V D 0.0000
439 T D 0.0000
440 A D 0.0000
441 N D 0.0000
442 F D -0.9428
443 Y D 0.0000
444 D D -1.7680
445 S D -1.4234
446 S D -1.2031
447 T D -1.5060
448 G D -2.3931
449 E D -2.6886
450 I D 0.0000
451 D D -1.5876
452 L D -0.2315
453 N D -1.3351
454 K D -2.4749
455 K D -2.4770
456 K D -2.6720
457 V D -1.0436
458 E D -1.0082
459 S D 0.0000
460 S D -0.4379
461 E D 0.0000
462 A D -0.5862
463 E D -1.4765
464 Y D -0.1577
465 R D -1.2193
466 T D -1.0064
467 L D 0.0000
468 S D -1.6679
469 A D -2.3730
470 N D -3.1256
471 D D -3.7335
472 D D -3.2156
473 G D -2.6114
474 V D 0.0000
475 Y D -0.5367
476 M D 0.0000
477 P D 0.0000
478 L D -0.0348
479 G D -0.0338
480 V D 0.1990
481 I D 0.0000
482 S D 0.0000
483 E D 0.0000
484 T D 0.0000
485 F D 0.0000
486 L D 0.0000
487 T D 0.0000
488 P D 0.0000
489 I D 0.0000
490 N D 0.0000
491 G D 0.0000
492 F D 0.0000
493 G D 0.0000
494 L D 0.0000
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497 D D -2.7426
498 E D -2.9415
499 N D -2.4517
500 S D -1.6332
501 R D -1.7961
502 L D -0.9050
503 I D 0.0000
504 T D -0.3202
505 L D 0.0000
506 T D -0.3412
507 C D 0.0000
508 K D -0.2222
509 S D 0.0000
510 Y D 0.0000
511 L D 0.0000
512 R D -0.5260
513 E D -0.5551
514 L D 0.0000
515 L D 0.0000
516 L D 0.0590
517 A D -0.4996
518 T D 0.0000
519 D D 0.0000
520 L D 0.0000
521 S D -1.0716
522 N D -1.4082
523 K D -2.2430
524 E D -2.6766
525 T D 0.0000
526 K D -1.6875
527 L D 0.0000
528 I D 0.0000
529 V D 0.0000
530 P D 0.0000
531 P D 0.0000
532 S D -0.1252
533 G D 0.0003
534 F D 0.5668
535 I D 0.9347
536 S D 0.2189
537 N D -0.3617
538 I D -0.9592
539 V D 0.0000
540 E D -1.8425
541 N D -2.3802
542 G D 0.0000
543 S D -1.3599
544 I D 0.0000
545 E D -3.5611
546 E D -3.9941
547 D D -3.5718
548 N D -3.2406
549 L D -2.5465
550 E D -3.0136
551 P D -1.6470
552 W D 0.0000
553 K D -1.8582
554 A D -1.7923
555 N D -2.8853
556 N D -3.4407
557 K D -3.0646
558 N D -2.4063
559 A D 0.0000
560 Y D 0.4369
561 V D -0.0495
562 D D -0.4383
563 H D -1.4780
564 T D -0.7842
565 G D 0.0000
566 G D 0.0000
567 V D -0.0885
568 N D -1.2545
569 G D -1.3058
570 T D -1.7419
571 K D -1.9401
572 A D 0.0000
573 L D 0.0000
574 Y D 0.0000
575 V D 0.0000
576 H D -2.7685
577 K D -4.2006
578 D D -4.1550
579 G D 0.0000
580 G D 0.0000
581 I D 0.0000
582 S D 0.0000
583 Q D 0.0000
584 F D 0.8711
585 I D 0.0000
586 G D 0.0000
587 D D -3.2749
588 K D -2.8822
589 L D 0.0000
590 K D -3.4686
591 P D -2.3206
592 K D -2.4835
593 T D -2.1075
594 E D -2.3080
595 Y D 0.0000
596 V D 0.0000
597 I D 0.0000
598 Q D 0.0000
599 Y D 0.0000
600 T D 0.0000
601 V D 0.0000
602 K D -2.1741
603 G D -2.5319
604 K D -2.8625
605 P D 0.0000
606 S D 0.0000
607 I D 0.0000
608 H D -0.9040
609 L D 0.0000
610 K D -0.9419
611 D D 0.0000
612 E D -2.9512
613 N D -2.7911
614 T D -1.4002
615 G D -0.7085
616 Y D 0.0569
617 I D 0.3239
618 H D -0.1702
619 Y D 0.0000
620 E D -1.7626
621 D D 0.0000
622 T D -1.7096
623 N D -2.0769
624 N D -2.0983
625 N D -2.8422
626 L D -2.6912
627 E D -3.3508
628 D D -3.1544
629 Y D -1.4680
630 Q D -1.6743
631 T D -0.9050
632 I D -0.4153
633 N D -1.1721
634 K D -1.8103
635 R D -2.4308
636 F D -1.6425
637 T D -1.6493
638 T D 0.0000
639 G D -1.1643
640 T D -1.6242
641 D D -3.0332
642 L D -3.0142
643 K D -3.3930
644 G D -2.1737
645 V D 0.0000
646 Y D 0.0608
647 L D 0.0000
648 I D -0.1679
649 L D 0.0000
650 K D -2.0106
651 S D 0.0000
652 Q D -2.8055
653 N D -2.9697
654 G D -3.1064
655 D D -3.0245
656 E D -2.7919
657 A D 0.0000
658 W D -0.3214
659 G D 0.0000
660 D D 0.0000
661 N D -0.6325
662 F D 0.0000
663 I D -0.1848
664 I D 0.0000
665 L D 0.0000
666 E D -1.7269
667 I D 0.0000
668 S D -0.8557
669 P D -1.3892
670 S D -1.8833
671 E D -2.6326
672 K D -2.5183
673 L D -1.1487
674 L D 0.2611
675 S D -0.3186
676 P D -0.8987
677 E D -2.0043
678 L D -1.3519
679 I D -1.3813
680 N D -1.7366
681 T D -1.5993
682 N D -2.0515
683 N D -2.3388
684 W D -1.4214
685 T D -1.0344
686 S D -0.7055
687 T D -0.9210
688 G D -1.2515
689 S D -0.9503
690 T D -0.5160
691 N D -1.0202
692 I D -0.5055
693 S D -0.7635
694 G D -1.2472
695 N D -1.7987
696 T D -1.0518
697 L D 0.0000
698 T D 0.2729
699 L D 0.0000
700 Y D 0.6560
701 Q D 0.1053
702 G D -0.6231
703 G D -1.3309
704 R D -2.3975
705 G D -1.3886
706 I D -0.5334
707 L D 0.0000
708 K D -1.3456
709 Q D 0.0000
710 N D -2.3247
711 L D 0.0000
712 Q D -2.5559
713 L D 0.0000
714 D D -2.4452
715 S D -1.5403
716 F D -0.6086
717 S D -0.6562
718 T D 0.0000
719 Y D 0.0000
720 R D -1.2499
721 V D 0.0000
722 Y D -0.6776
723 F D 0.0000
724 S D -1.6022
725 V D 0.0000
726 S D -0.9527
727 G D -0.5790
728 D D -0.5464
729 A D 0.0000
730 N D -1.5805
731 V D 0.0000
732 R D -2.2684
733 I D 0.0000
734 R D -1.6748
735 N D 0.0000
736 S D -1.9045
737 R D -2.6817
738 E D -2.1140
739 V D -1.1067
740 L D -0.5866
741 F D 0.0000
742 E D -3.0719
743 K D -2.9400
744 R D -2.1037
745 Y D -1.1419
746 M D -0.3324
747 S D -0.6964
748 G D -1.3548
749 A D 0.0000
750 K D -2.6946
751 D D -2.6617
752 V D -0.9746
753 S D -0.5998
754 E D -0.6293
755 M D -0.5512
756 F D 0.0000
757 T D -0.1504
758 T D 0.0000
759 K D -0.7697
760 F D 0.3181
761 E D -2.2573
762 K D -3.5068
763 D D -3.7758
764 N D -3.3493
765 F D 0.0000
766 Y D -1.5449
767 I D 0.0000
768 E D -1.2269
769 L D 0.0000
770 S D 0.0000
771 Q D -0.8843
772 G D -1.3056
773 N D -1.0308
774 N D -0.8893
775 L D 1.1022
776 Y D 1.1370
777 G D 0.1536
778 G D 0.0228
779 P D 0.4848
780 I D 1.5525
781 V D 0.0000
782 H D 0.1411
783 F D 0.0000
784 Y D -1.2253
785 D D -1.9402
786 V D -0.7872
787 S D -1.0787
788 I D 0.0000
789 K D -1.6522
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Laboratory of Theory of Biopolymers 2018