Project name: ff22a069814cf66

Chain sequence(s)	A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQHQHQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:11)

• Minimal score value: -5.1573
• Maximal score value: 3.9401
• Average score: -0.5637
• Total score value: -459.4455

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
1	M	A	0.1687
2	K	A	-1.5657
3	S	A	-1.9569
4	N	A	-2.7713
5	Q	A	-3.2111
6	E	A	-3.7522
7	R	A	-3.4209
8	S	A	-2.6301
9	N	A	-2.3280
10	E	A	-1.7745
11	C	A	0.2322
12	L	A	0.8631
13	P	A	-0.2482
14	P	A	-1.3865
15	K	A	-3.0941
16	K	A	-3.7208
17	R	A	-3.5341
18	E	A	-2.3978
19	I	A	0.3729
20	P	A	0.1028
21	A	A	0.1708
22	T	A	-0.3269
23	S	A	-1.2222
24	R	A	-2.3219
25	S	A	-1.9007
26	S	A	-2.0961
27	E	A	-3.4800
28	E	A	-3.6778
29	K	A	-3.0493
30	A	A	-1.1083
31	P	A	-0.2693
32	T	A	0.5281
33	L	A	1.3290
34	P	A	-0.0596
35	S	A	-1.3147
36	D	A	-2.8533
37	N	A	-2.8788
38	H	A	-2.3726
39	R	A	-2.0046
40	V	A	-0.3977
41	E	A	-1.5349
42	G	A	-1.0484
43	T	A	-0.4227
44	A	A	0.8288
45	W	A	1.9353
46	L	A	1.9488
47	P	A	0.2363
48	G	A	-0.9652
49	N	A	-1.7856
50	P	A	-1.3594
51	G	A	-1.4936
52	G	A	-1.7951
53	R	A	-2.6229
54	G	A	-2.0970
55	H	A	-1.9524
56	G	A	-1.4188
57	G	A	-1.5578
58	G	A	-1.9592
59	R	A	-2.7658
60	H	A	-2.2818
61	G	A	-1.4488
62	P	A	-0.7393
63	A	A	-0.4085
64	G	A	-0.5743
65	T	A	-0.0429
66	S	A	0.1829
67	V	A	1.0313
68	E	A	-0.2820
69	L	A	1.0621
70	G	A	0.4385
71	L	A	0.8094
72	Q	A	-1.2423
73	Q	A	-1.3330
74	G	A	-0.4079
75	I	A	1.6156
76	G	A	1.0402
77	L	A	0.8643
78	H	A	-1.1428
79	K	A	-1.4845
80	A	A	-0.3140
81	L	A	1.0519
82	S	A	0.4835
83	T	A	0.2883
84	G	A	-0.0598
85	L	A	0.6603
86	D	A	-0.5441
87	Y	A	0.5319
88	S	A	-0.0349
89	P	A	-0.2325
90	P	A	-0.5453
91	S	A	-0.4341
92	A	A	-0.7080
93	P	A	-1.0062
94	R	A	-1.6482
95	S	A	-0.3468
96	V	A	1.4456
97	P	A	1.3972
98	V	A	2.0095
99	A	A	0.8211
100	T	A	0.5993
101	T	A	0.5865
102	L	A	1.3761
103	P	A	0.5878
104	A	A	0.5492
105	A	A	0.7160
106	Y	A	1.3725
107	A	A	0.6542
108	T	A	-0.1598
109	P	A	-0.9353
110	Q	A	-1.5464
111	P	A	-1.0876
112	G	A	-0.8919
113	T	A	-0.1563
114	P	A	0.4322
115	V	A	1.4781
116	S	A	0.8512
117	P	A	0.6310
118	V	A	1.3178
119	Q	A	0.2658
120	Y	A	1.0787
121	A	A	0.2988
122	H	A	0.0973
123	L	A	0.8653
124	P	A	-0.1610
125	H	A	-0.5821
126	T	A	0.0699
127	F	A	1.8337
128	Q	A	1.0220
129	F	A	2.6852
130	I	A	2.5526
131	G	A	0.8163
132	S	A	0.0071
133	S	A	-0.5086
134	Q	A	-0.7306
135	Y	A	0.4549
136	S	A	-0.0722
137	G	A	-0.0716
138	T	A	0.3241
139	Y	A	1.1704
140	A	A	1.0035
141	S	A	1.5619
142	F	A	2.7567
143	I	A	2.5903
144	P	A	1.0155
145	S	A	0.1697
146	Q	A	0.0292
147	L	A	1.7977
148	I	A	2.3030
149	P	A	0.8228
150	P	A	0.0150
151	T	A	-0.4850
152	A	A	-0.6942
153	N	A	-1.0637
154	P	A	-0.0429
155	V	A	1.3069
156	T	A	0.6900
157	S	A	0.5525
158	A	A	0.8571
159	V	A	1.7420
160	A	A	0.8541
161	S	A	0.2219
162	A	A	-0.1078
163	A	A	-0.1816
164	G	A	-0.4084
165	A	A	-0.2155
166	T	A	-0.2275
167	T	A	-0.2797
168	P	A	-0.6550
169	S	A	-1.3042
170	Q	A	-2.3132
171	R	A	-2.8117
172	S	A	-1.5861
173	Q	A	-1.2342
174	L	A	0.0393
175	E	A	-1.0421
176	A	A	0.0833
177	Y	A	0.8827
178	S	A	0.7032
179	T	A	1.1864
180	L	A	2.2602
181	L	A	2.0674
182	A	A	0.7162
183	N	A	-0.5210
184	M	A	0.3163
185	G	A	0.0337
186	S	A	0.1977
187	L	A	1.0235
188	S	A	-0.1332
189	Q	A	-1.1185
190	T	A	-0.8293
191	P	A	-1.2637
192	G	A	-1.7748
193	H	A	-2.9541
194	K	A	-3.8845
195	A	A	-3.3944
196	E	A	-4.6172
197	Q	A	-5.0631
198	Q	A	-4.9156
199	Q	A	-4.8923
200	Q	A	-5.1573
201	Q	A	-4.9563
202	Q	A	-4.8832
203	Q	A	-4.6448
204	Q	A	-4.5934
205	Q	A	-4.2169
206	Q	A	-4.4040
207	Q	A	-4.1806
208	Q	A	-4.3634
209	H	A	-4.4682
210	Q	A	-4.5749
211	H	A	-4.6050
212	Q	A	-4.7682
213	Q	A	-4.6052
214	Q	A	-4.7058
215	Q	A	-4.6003
216	Q	A	-4.3169
217	Q	A	-4.0853
218	Q	A	-4.2598
219	Q	A	-4.3643
220	Q	A	-4.4039
221	Q	A	-4.3289
222	Q	A	-3.9582
223	Q	A	-3.6425
224	Q	A	-3.5336
225	Q	A	-3.5382
226	H	A	-2.7549
227	L	A	-0.7396
228	S	A	-1.4961
229	R	A	-2.2736
230	A	A	-1.0062
231	P	A	-0.5673
232	G	A	0.3881
233	L	A	2.2371
234	I	A	2.5957
235	T	A	1.0315
236	P	A	-0.1934
237	G	A	-0.7725
238	S	A	-0.6890
239	P	A	-0.6574
240	P	A	-0.5339
241	P	A	-0.6545
242	A	A	-1.1681
243	Q	A	-2.2833
244	Q	A	-2.7833
245	N	A	-2.5025
246	Q	A	-1.2299
247	Y	A	1.0906
248	V	A	2.1174
249	H	A	1.1374
250	I	A	1.7460
251	S	A	0.4425
252	S	A	-0.0287
253	S	A	-0.7503
254	P	A	-1.2954
255	Q	A	-2.0466
256	N	A	-2.0819
257	T	A	-1.6269
258	G	A	-1.7691
259	R	A	-2.1310
260	T	A	-1.1691
261	A	A	-0.5392
262	S	A	-0.3720
263	P	A	-0.2342
264	P	A	0.0555
265	A	A	0.8517
266	I	A	2.1811
267	P	A	1.3888
268	V	A	1.8619
269	H	A	0.4199
270	L	A	0.8641
271	H	A	-0.9387
272	P	A	-1.2327
273	H	A	-1.9612
274	Q	A	-1.6713
275	T	A	0.0387
276	M	A	1.6776
277	I	A	2.1900
278	P	A	0.5033
279	H	A	-0.4645
280	T	A	0.1184
281	L	A	1.6020
282	T	A	1.3040
283	L	A	1.5469
284	G	A	0.1160
285	P	A	-0.2922
286	P	A	-0.7833
287	S	A	-0.5939
288	Q	A	-0.0816
289	V	A	2.1385
290	V	A	2.6833
291	M	A	2.0813
292	Q	A	0.5816
293	Y	A	0.7852
294	A	A	-0.4489
295	D	A	-1.6556
296	S	A	-1.2406
297	G	A	-1.2338
298	S	A	-0.4071
299	H	A	0.1135
300	F	A	1.9040
301	V	A	1.1596
302	P	A	-0.8907
303	R	A	-2.9394
304	E	A	-2.8280
305	A	A	-1.6376
306	T	A	-1.6638
307	K	A	-2.5675
308	K	A	-2.9487
309	A	A	-2.0244
310	E	A	-2.3235
311	S	A	-1.4512
312	S	A	-1.2647
313	R	A	-1.5864
314	L	A	-0.4244
315	Q	A	-1.1424
316	Q	A	-1.2869
317	A	A	0.0913
318	I	A	1.0508
319	Q	A	-0.6359
320	A	A	-1.3823
321	K	A	-2.4838
322	E	A	-1.4614
323	V	A	0.9945
324	L	A	1.3334
325	N	A	-0.6909
326	G	A	-1.4616
327	E	A	-2.1630
328	M	A	-1.4035
329	E	A	-2.9513
330	K	A	-2.8956
331	S	A	-2.7813
332	R	A	-2.9906
333	R	A	-2.2688
334	Y	A	-0.2384
335	G	A	-0.1842
336	A	A	-0.2084
337	P	A	-0.3267
338	S	A	-0.4261
339	S	A	-0.7518
340	A	A	-0.7072
341	D	A	-1.1193
342	L	A	0.7455
343	G	A	0.6053
344	L	A	1.0308
345	G	A	-0.6427
346	K	A	-1.6848
347	A	A	-1.2693
348	G	A	-1.4136
349	G	A	-1.6298
350	K	A	-1.7749
351	S	A	-0.3223
352	V	A	0.9910
353	P	A	0.0095
354	H	A	-0.6068
355	P	A	-0.5181
356	Y	A	0.0014
357	E	A	-1.6928
358	S	A	-1.9799
359	R	A	-2.5729
360	H	A	-0.5228
361	V	A	2.1971
362	V	A	3.0409
363	V	A	2.4413
364	H	A	0.2082
365	P	A	-0.5483
366	S	A	-0.7851
367	P	A	-0.9745
368	S	A	-1.0634
369	D	A	-1.3665
370	Y	A	0.1623
371	S	A	-0.4276
372	S	A	-1.0603
373	R	A	-2.3024
374	D	A	-1.3665
375	P	A	-0.1726
376	S	A	1.2873
377	G	A	1.0643
378	V	A	1.0409
379	R	A	-0.9664
380	A	A	-0.1558
381	S	A	0.8605
382	V	A	2.8597
383	M	A	3.3409
384	V	A	3.2181
385	L	A	2.6303
386	P	A	0.5991
387	N	A	-1.1861
388	S	A	-1.4190
389	N	A	-1.9342
390	T	A	-1.1537
391	P	A	-0.7934
392	A	A	-0.4714
393	A	A	-0.7259
394	D	A	-1.3888
395	L	A	0.1075
396	E	A	-0.7568
397	V	A	0.2933
398	Q	A	-1.2888
399	Q	A	-1.4358
400	A	A	-1.0833
401	T	A	-1.1907
402	H	A	-2.3370
403	R	A	-3.2345
404	E	A	-2.9233
405	A	A	-1.3856
406	S	A	-0.7721
407	P	A	-0.4706
408	S	A	-0.1217
409	T	A	0.2685
410	L	A	0.5347
411	N	A	-1.7659
412	D	A	-2.9944
413	K	A	-2.9962
414	S	A	-1.2905
415	G	A	-0.3067
416	L	A	1.0966
417	H	A	0.3232
418	L	A	0.7964
419	G	A	-0.7464
420	K	A	-1.9720
421	P	A	-1.8630
422	G	A	-1.9568
423	H	A	-2.2166
424	R	A	-2.2541
425	S	A	-0.7368
426	Y	A	1.0344
427	A	A	1.4261
428	L	A	1.6929
429	S	A	0.2458
430	P	A	-0.5458
431	H	A	-0.8358
432	T	A	0.6039
433	V	A	2.3046
434	I	A	2.2846
435	Q	A	0.0269
436	T	A	-0.5175
437	T	A	-0.8870
438	H	A	-1.1298
439	S	A	-0.7149
440	A	A	-0.6881
441	S	A	-1.1464
442	E	A	-1.7258
443	P	A	-0.5362
444	L	A	1.2776
445	P	A	1.2578
446	V	A	2.0377
447	G	A	1.0545
448	L	A	1.5557
449	P	A	0.5193
450	A	A	0.4736
451	T	A	0.5351
452	A	A	1.3057
453	F	A	2.6202
454	Y	A	2.2078
455	A	A	0.8140
456	G	A	-0.5017
457	T	A	-0.9288
458	Q	A	-1.5124
459	P	A	-0.6259
460	P	A	0.7597
461	V	A	2.5084
462	I	A	2.8992
463	G	A	1.9668
464	Y	A	2.2534
465	L	A	1.9091
466	S	A	0.2430
467	G	A	-1.1161
468	Q	A	-2.3444
469	Q	A	-2.5294
470	Q	A	-1.6281
471	A	A	0.1604
472	I	A	2.0343
473	T	A	1.5461
474	Y	A	1.6313
475	A	A	0.5786
476	G	A	0.0504
477	S	A	0.1246
478	L	A	0.8648
479	P	A	0.0434
480	Q	A	-0.4497
481	H	A	1.3579
482	L	A	3.2783
483	V	A	3.9401
484	I	A	3.2138
485	P	A	1.0157
486	G	A	-0.1595
487	T	A	-0.5819
488	Q	A	-0.7478
489	P	A	1.1491
490	L	A	3.0651
491	L	A	3.8845
492	I	A	3.7737
493	P	A	1.8192
494	V	A	1.9167
495	G	A	-0.0082
496	S	A	-0.6013
497	T	A	-0.9554
498	D	A	-1.7579
499	M	A	-0.7330
500	E	A	-1.6609
501	A	A	-0.8494
502	S	A	-0.7920
503	G	A	-0.5216
504	A	A	-0.2482
505	A	A	-0.1309
506	P	A	0.2639
507	A	A	1.3431
508	I	A	2.8343
509	V	A	2.6909
510	T	A	1.0866
511	S	A	-0.0494
512	S	A	-0.6740
513	P	A	-0.6084
514	Q	A	-0.3831
515	F	A	1.3365
516	A	A	1.2063
517	A	A	1.2605
518	V	A	1.4617
519	P	A	0.2211
520	H	A	-0.3589
521	T	A	0.7386
522	F	A	2.5281
523	V	A	2.6464
524	T	A	1.4144
525	T	A	0.8741
526	A	A	0.8845
527	L	A	0.9866
528	P	A	-0.3068
529	K	A	-2.1068
530	S	A	-2.2197
531	E	A	-2.5737
532	N	A	-1.7242
533	F	A	0.2255
534	N	A	-1.0201
535	P	A	-1.3633
536	E	A	-1.8484
537	A	A	0.2048
538	L	A	2.0824
539	V	A	2.2777
540	T	A	0.5419
541	Q	A	-0.8369
542	A	A	-0.2600
543	A	A	0.4133
544	Y	A	1.3508
545	P	A	0.8848
546	A	A	1.0813
547	M	A	1.7356
548	V	A	1.5230
549	Q	A	-0.0986
550	A	A	-0.1176
551	Q	A	-0.3040
552	I	A	1.2530
553	H	A	0.5490
554	L	A	2.0736
555	P	A	1.6499
556	V	A	2.3447
557	V	A	2.4109
558	Q	A	0.5924
559	S	A	0.8801
560	V	A	1.5059
561	A	A	0.5002
562	S	A	0.2626
563	P	A	-0.0209
564	A	A	-0.1081
565	A	A	-0.1162
566	A	A	-0.1376
567	P	A	-0.3778
568	P	A	-0.3646
569	T	A	-0.2518
570	L	A	0.0000
571	P	A	0.2640
572	P	A	0.2061
573	Y	A	1.3180
574	F	A	0.3837
575	M	A	-0.5246
576	K	A	-2.2878
577	G	A	-1.1653
578	S	A	0.1181
579	I	A	0.9766
580	I	A	0.3642
581	Q	A	-1.0254
582	L	A	-0.8354
583	A	A	-0.9883
584	N	A	-1.7721
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682	C	A	0.0000
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696	K	A	-2.3571
697	K	A	-2.5791
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700	P	A	-1.1024
701	V	A	-0.0174
702	D	A	-1.1370
703	P	A	-0.3227
704	A	A	0.3382
705	S	A	1.2577
706	V	A	2.3303
707	L	A	2.6336
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714	D	A	-2.0630
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718	G	A	-0.5962
719	S	A	-1.5439
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722	R	A	-2.9641
723	Y	A	-1.4770
724	A	A	-1.5866
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727	E	A	-3.3497
728	N	A	-2.2597
729	G	A	-1.1135
730	I	A	0.3597
731	N	A	-1.0378
732	Q	A	-1.7626
733	G	A	-1.4747
734	S	A	-0.9096
735	A	A	-0.5147
736	Q	A	-0.3690
737	M	A	1.2095
738	L	A	1.3428
739	S	A	-0.4223
740	E	A	-2.5279
741	N	A	-2.7205
742	G	A	-2.1379
743	E	A	-2.0256
744	L	A	-0.0063
745	K	A	-0.6104
746	F	A	0.7982
747	P	A	-0.6100
748	E	A	-2.1601
749	K	A	-2.2230
750	M	A	-0.0907
751	G	A	0.3988
752	L	A	1.4166
753	P	A	0.4848
754	A	A	0.2146
755	A	A	0.3101
756	P	A	1.1198
757	F	A	2.5977
758	L	A	2.1015
759	T	A	0.6346
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761	I	A	0.2449
762	E	A	-1.3582
763	P	A	-1.2238
764	S	A	-1.5558
765	K	A	-1.9776
766	P	A	-1.1238
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768	A	A	-0.4549
769	T	A	-1.2865
770	R	A	-3.2391
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772	R	A	-3.7524
773	R	A	-2.7614
774	W	A	-0.5047
775	S	A	-0.4330
776	A	A	-0.6201
777	P	A	-1.2286
778	E	A	-2.6629
779	S	A	-2.4947
780	R	A	-2.9417
781	K	A	-2.4669
782	L	A	-0.9674
783	E	A	-2.2920
784	K	A	-2.7507
785	S	A	-2.7017
786	E	A	-3.4973
787	D	A	-3.6627
788	E	A	-3.2218
789	P	A	-1.2571
790	P	A	0.1243
791	L	A	1.7173
792	T	A	0.9990
793	L	A	1.2828
794	P	A	-0.2505
795	K	A	-1.3631
796	P	A	-0.4476
797	S	A	0.1346
798	L	A	1.2698
799	I	A	0.8392
800	P	A	-0.4842
801	Q	A	-1.4706
802	E	A	-2.2668
803	V	A	-0.3190
804	K	A	-1.3617
805	I	A	-1.3363
806	C	A	-0.1035
807	I	A	0.5184
808	E	A	-1.6592
809	G	A	-1.4528
810	R	A	-2.3286
811	S	A	-1.3887
812	N	A	-1.6220
813	V	A	0.2476
814	G	A	-0.8150
815	K	A	-1.7927