Project name: 1c16fbe1864e57f

Chain sequence(s)	A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
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]                                                (00:00:00)
[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 A 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                                          (00:06:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:01)

• Minimal score value: -4.8752
• Maximal score value: 3.3772
• Average score: -0.581
• Total score value: -474.0558

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	0.1873
2	K	A	-1.5838
3	S	A	-1.7961
4	N	A	-2.8082
5	Q	A	-3.3078
6	E	A	-3.6673
7	R	A	-3.3737
8	S	A	-2.6336
9	N	A	-2.6617
10	E	A	-1.9206
11	C	A	0.3456
12	L	A	1.3783
13	P	A	0.1152
14	P	A	-1.2203
15	K	A	-3.2779
16	K	A	-3.7235
17	R	A	-3.4762
18	E	A	-2.2727
19	I	A	0.3309
20	P	A	0.4225
21	A	A	0.1234
22	T	A	-0.4128
23	S	A	-1.3863
24	R	A	-2.1290
25	S	A	-1.8360
26	S	A	-2.0351
27	E	A	-3.3756
28	E	A	-3.7276
29	K	A	-3.0058
30	A	A	-1.2940
31	P	A	-0.3375
32	T	A	0.5121
33	L	A	1.2723
34	P	A	0.1701
35	S	A	-1.1407
36	D	A	-2.8290
37	N	A	-3.1426
38	H	A	-2.5855
39	R	A	-2.0987
40	V	A	-0.4486
41	E	A	-1.6264
42	G	A	-1.2548
43	T	A	-0.1339
44	A	A	0.9941
45	W	A	1.8426
46	L	A	1.6767
47	P	A	0.2649
48	G	A	-0.7721
49	N	A	-1.6702
50	P	A	-1.4162
51	G	A	-1.5699
52	G	A	-1.9154
53	R	A	-2.7163
54	G	A	-2.2582
55	H	A	-2.0681
56	G	A	-1.6780
57	G	A	-1.6951
58	G	A	-2.0349
59	R	A	-2.8655
60	H	A	-2.4588
61	G	A	-1.5707
62	P	A	-1.0244
63	A	A	-0.4602
64	G	A	-0.6220
65	T	A	-0.0478
66	S	A	0.1103
67	V	A	0.9215
68	E	A	-0.2395
69	L	A	1.0571
70	G	A	0.7288
71	L	A	0.7284
72	Q	A	-0.9984
73	Q	A	-1.2789
74	G	A	-0.3102
75	I	A	1.6762
76	G	A	0.9019
77	L	A	0.9374
78	H	A	-1.1557
79	K	A	-1.4595
80	A	A	-0.3007
81	L	A	1.0669
82	S	A	0.4530
83	T	A	0.2216
84	G	A	-0.0069
85	L	A	0.7065
86	D	A	-0.5477
87	Y	A	0.5139
88	S	A	-0.2348
89	P	A	-0.3937
90	P	A	-0.3281
91	S	A	-0.6621
92	A	A	-0.7943
93	P	A	-1.1337
94	R	A	-1.7106
95	S	A	-0.2013
96	V	A	1.4876
97	P	A	1.3993
98	V	A	2.0711
99	A	A	1.0376
100	T	A	0.7059
101	T	A	0.7826
102	L	A	1.3657
103	P	A	0.6516
104	A	A	0.5933
105	A	A	0.6818
106	Y	A	1.3416
107	A	A	0.4824
108	T	A	-0.2377
109	P	A	-0.8425
110	Q	A	-1.6085
111	P	A	-1.1793
112	G	A	-0.8972
113	T	A	-0.2358
114	P	A	0.3418
115	V	A	1.6400
116	S	A	0.6906
117	P	A	0.7424
118	V	A	1.5754
119	Q	A	0.0903
120	Y	A	1.0694
121	A	A	0.4081
122	H	A	-0.2001
123	L	A	0.8143
124	P	A	-0.0087
125	H	A	-0.4407
126	T	A	0.4194
127	F	A	1.8028
128	Q	A	1.0090
129	F	A	2.7017
130	I	A	2.5735
131	G	A	0.6023
132	S	A	0.1470
133	S	A	-0.4753
134	Q	A	-0.8137
135	Y	A	0.4356
136	S	A	-0.1045
137	G	A	-0.0027
138	T	A	0.4714
139	Y	A	1.1635
140	A	A	1.1531
141	S	A	1.6178
142	F	A	2.7256
143	I	A	2.5810
144	P	A	0.8951
145	S	A	0.4352
146	Q	A	0.1977
147	L	A	1.6668
148	I	A	2.2358
149	P	A	0.8083
150	P	A	0.3127
151	T	A	-0.2630
152	A	A	-0.8066
153	N	A	-1.0499
154	P	A	-0.0317
155	V	A	1.3395
156	T	A	0.9350
157	S	A	0.5568
158	A	A	0.8221
159	V	A	1.7261
160	A	A	0.8283
161	S	A	0.2674
162	A	A	0.0917
163	A	A	-0.2016
164	G	A	-0.4273
165	A	A	-0.2017
166	T	A	-0.2345
167	T	A	-0.2584
168	P	A	-0.9318
169	S	A	-1.5947
170	Q	A	-2.2755
171	R	A	-2.7934
172	S	A	-1.7947
173	Q	A	-1.3505
174	L	A	-0.0813
175	E	A	-1.1593
176	A	A	0.2559
177	Y	A	1.8363
178	S	A	0.9056
179	T	A	1.0662
180	L	A	2.2088
181	L	A	2.3907
182	A	A	0.9244
183	N	A	0.1957
184	M	A	1.2676
185	G	A	0.3297
186	S	A	0.0346
187	L	A	0.9488
188	S	A	-0.1035
189	Q	A	-1.4382
190	T	A	-1.1502
191	P	A	-1.5165
192	G	A	-2.1186
193	H	A	-3.2484
194	K	A	-3.8320
195	A	A	-3.2916
196	E	A	-4.5206
197	Q	A	-4.7118
198	Q	A	-4.6994
199	Q	A	-4.7757
200	Q	A	-4.7886
201	Q	A	-4.8752
202	Q	A	-4.7857
203	Q	A	-4.7478
204	Q	A	-4.7374
205	Q	A	-4.7701
206	Q	A	-4.7663
207	Q	A	-4.7549
208	Q	A	-4.7791
209	Q	A	-4.7879
210	Q	A	-4.7719
211	Q	A	-4.7773
212	Q	A	-4.7614
213	Q	A	-4.6993
214	Q	A	-4.6518
215	Q	A	-4.6547
216	Q	A	-4.5436
217	Q	A	-4.3306
218	Q	A	-4.2966
219	Q	A	-4.3540
220	Q	A	-4.1782
221	Q	A	-3.9549
222	Q	A	-4.1121
223	Q	A	-3.6043
224	Q	A	-3.4079
225	Q	A	-2.9148
226	Q	A	-3.0400
227	H	A	-2.3405
228	L	A	-0.5441
229	S	A	-1.3961
230	R	A	-2.0698
231	A	A	-0.8136
232	P	A	-0.4400
233	G	A	0.4085
234	L	A	2.2264
235	I	A	2.4902
236	T	A	1.0138
237	P	A	0.0427
238	G	A	-0.5230
239	S	A	-0.6993
240	P	A	-0.6602
241	P	A	-0.7079
242	P	A	-0.7056
243	A	A	-1.0258
244	Q	A	-2.3358
245	Q	A	-2.6344
246	N	A	-2.2631
247	Q	A	-1.2662
248	Y	A	0.8731
249	V	A	1.9695
250	H	A	0.9456
251	I	A	1.7966
252	S	A	0.3740
253	S	A	-0.1155
254	S	A	-0.5066
255	P	A	-1.2502
256	Q	A	-2.1033
257	N	A	-2.1012
258	T	A	-1.6106
259	G	A	-1.8061
260	R	A	-2.1066
261	T	A	-1.0884
262	A	A	-0.4941
263	S	A	-0.4036
264	P	A	-0.2862
265	P	A	0.0121
266	A	A	0.9899
267	I	A	2.1815
268	P	A	1.5275
269	V	A	2.0174
270	H	A	0.4964
271	L	A	0.8612
272	H	A	-0.8526
273	P	A	-1.2649
274	H	A	-1.6802
275	Q	A	-1.3762
276	T	A	0.1070
277	M	A	1.3703
278	I	A	1.9541
279	P	A	0.6571
280	H	A	-0.0716
281	T	A	0.5542
282	L	A	1.5366
283	T	A	1.1185
284	L	A	1.5966
285	G	A	0.2404
286	P	A	-0.4523
287	P	A	-0.4700
288	S	A	-0.4569
289	Q	A	0.0493
290	V	A	2.0836
291	V	A	2.6545
292	M	A	1.8966
293	Q	A	0.4388
294	Y	A	0.7532
295	A	A	-0.6514
296	D	A	-1.7938
297	S	A	-1.3332
298	G	A	-1.2681
299	S	A	-0.6039
300	H	A	0.1605
301	F	A	2.0177
302	V	A	1.7118
303	P	A	-0.3480
304	R	A	-2.2512
305	E	A	-2.7579
306	A	A	-2.0880
307	T	A	-2.2744
308	K	A	-3.0324
309	K	A	-3.0175
310	A	A	-2.4316
311	E	A	-2.8829
312	S	A	-1.8622
313	S	A	-2.0894
314	R	A	-2.2595
315	L	A	-0.5037
316	Q	A	-1.5060
317	Q	A	-2.0272
318	A	A	-0.8887
319	I	A	-0.4907
320	Q	A	-1.5908
321	A	A	-1.3229
322	K	A	-2.2107
323	E	A	-2.2974
324	V	A	-0.1175
325	L	A	-0.8207
326	N	A	-2.2639
327	G	A	-2.1646
328	E	A	-2.9174
329	M	A	-1.9397
330	E	A	-3.9522
331	K	A	-4.0707
332	S	A	-2.9396
333	R	A	-3.6323
334	R	A	-3.0314
335	Y	A	-0.5823
336	G	A	-0.6115
337	A	A	-0.1203
338	P	A	-0.4684
339	S	A	-0.4136
340	S	A	-0.6880
341	A	A	-0.6919
342	D	A	-1.1476
343	L	A	0.7220
344	G	A	0.3818
345	L	A	1.0327
346	G	A	-0.5292
347	K	A	-1.7010
348	A	A	-1.2356
349	G	A	-1.4532
350	G	A	-1.6900
351	K	A	-1.8113
352	S	A	-0.2671
353	V	A	0.9265
354	P	A	0.1737
355	H	A	-0.7536
356	P	A	-0.4351
357	Y	A	0.0447
358	E	A	-1.8386
359	S	A	-1.9261
360	R	A	-2.4143
361	H	A	-0.2590
362	V	A	2.0977
363	V	A	3.0537
364	V	A	2.4850
365	H	A	0.0289
366	P	A	-0.3823
367	S	A	-0.7798
368	P	A	-1.0508
369	S	A	-1.0492
370	D	A	-1.3140
371	Y	A	0.1814
372	S	A	-0.5257
373	S	A	-1.3154
374	R	A	-2.9920
375	D	A	-3.0432
376	P	A	-1.9527
377	S	A	-1.0418
378	G	A	-0.3857
379	V	A	0.6237
380	R	A	-0.9325
381	A	A	-0.0126
382	S	A	0.7124
383	V	A	2.6475
384	M	A	3.0829
385	V	A	3.2881
386	L	A	2.4641
387	P	A	0.2194
388	N	A	-1.2827
389	S	A	-1.3626
390	N	A	-1.7871
391	T	A	-0.9950
392	P	A	-0.5624
393	A	A	-0.4912
394	A	A	-0.6358
395	D	A	-1.3913
396	L	A	0.0823
397	E	A	-0.7023
398	V	A	0.3944
399	Q	A	-1.3072
400	Q	A	-1.4669
401	A	A	-1.2420
402	T	A	-1.2020
403	H	A	-2.4639
404	R	A	-3.2915
405	E	A	-2.9915
406	A	A	-1.3748
407	S	A	-0.7447
408	P	A	-0.4811
409	S	A	-0.0895
410	T	A	0.2141
411	L	A	0.3920
412	N	A	-1.6397
413	D	A	-2.9267
414	K	A	-3.0008
415	S	A	-1.3761
416	G	A	-0.2821
417	L	A	1.0817
418	H	A	0.2513
419	L	A	0.7257
420	G	A	-0.7391
421	K	A	-1.8000
422	P	A	-1.6664
423	G	A	-1.8717
424	H	A	-2.2201
425	R	A	-2.3032
426	S	A	-0.6871
427	Y	A	1.1956
428	A	A	1.4276
429	L	A	1.6798
430	S	A	0.4751
431	P	A	-0.3079
432	H	A	-0.5087
433	T	A	0.6183
434	V	A	2.1299
435	I	A	2.1295
436	Q	A	0.0653
437	T	A	-0.2044
438	T	A	-0.7252
439	H	A	-1.2614
440	S	A	-0.7243
441	A	A	-0.7508
442	S	A	-1.1500
443	E	A	-1.7293
444	P	A	-0.6368
445	L	A	1.2312
446	P	A	1.2971
447	V	A	2.0503
448	G	A	1.3581
449	L	A	1.5705
450	P	A	0.5544
451	A	A	0.4856
452	T	A	0.6093
453	A	A	1.3261
454	F	A	2.6013
455	Y	A	2.1609
456	A	A	0.8248
457	G	A	-0.4225
458	T	A	-0.7899
459	Q	A	-1.3440
460	P	A	-0.4845
461	P	A	0.5738
462	V	A	2.4476
463	I	A	2.9674
464	G	A	2.1077
465	Y	A	2.3720
466	L	A	2.0890
467	S	A	0.3473
468	G	A	-1.0423
469	Q	A	-2.3108
470	Q	A	-2.2844
471	Q	A	-1.6377
472	A	A	0.2956
473	I	A	1.9222
474	T	A	1.4028
475	Y	A	1.6611
476	A	A	0.4108
477	G	A	0.0994
478	S	A	0.2263
479	L	A	0.7579
480	P	A	-0.2969
481	Q	A	-0.7818
482	H	A	0.1289
483	L	A	2.0729
484	V	A	2.8924
485	I	A	2.8760
486	P	A	0.9564
487	G	A	-0.0978
488	T	A	-0.2404
489	Q	A	-0.9215
490	P	A	0.5509
491	L	A	2.3488
492	L	A	3.2033
493	I	A	3.3772
494	P	A	1.9794
495	V	A	2.0354
496	G	A	0.4414
497	S	A	-0.4437
498	T	A	-0.7301
499	D	A	-1.7330
500	M	A	-0.7368
501	E	A	-1.7212
502	A	A	-0.8129
503	S	A	-0.8106
504	G	A	-0.5151
505	A	A	-0.2431
506	A	A	0.0880
507	P	A	0.5418
508	A	A	1.3331
509	I	A	2.7967
510	V	A	2.6248
511	T	A	1.1636
512	S	A	0.2427
513	S	A	-0.5392
514	P	A	-0.5806
515	Q	A	-0.4206
516	F	A	1.5303
517	A	A	1.1095
518	A	A	1.1923
519	V	A	1.6627
520	P	A	0.1202
521	H	A	-0.1257
522	T	A	0.9788
523	F	A	2.5155
524	V	A	2.5523
525	T	A	1.4418
526	T	A	0.7346
527	A	A	0.7332
528	L	A	0.9737
529	P	A	-0.5653
530	K	A	-2.1252
531	S	A	-1.7947
532	E	A	-2.6233
533	N	A	-1.7832
534	F	A	-0.0511
535	N	A	-1.4606
536	P	A	-1.1245
537	E	A	-1.4103
538	A	A	-0.0106
539	L	A	1.9417
540	V	A	2.0999
541	T	A	0.7415
542	Q	A	-0.4227
543	A	A	-0.0481
544	A	A	0.4354
545	Y	A	1.4888
546	P	A	0.9482
547	A	A	1.0437
548	M	A	1.7637
549	V	A	1.6269
550	Q	A	-0.0561
551	A	A	-0.0164
552	Q	A	-0.2515
553	I	A	1.2463
554	H	A	0.6330
555	L	A	2.1403
556	P	A	1.6919
557	V	A	2.3653
558	V	A	2.4187
559	Q	A	0.6520
560	S	A	0.8617
561	V	A	1.4006
562	A	A	0.5134
563	S	A	0.1320
564	P	A	-0.2413
565	A	A	0.0454
566	A	A	-0.0403
567	A	A	0.0406
568	P	A	-0.1026
569	P	A	-0.1276
570	T	A	0.0573
571	L	A	0.7803
572	P	A	0.0000
573	P	A	0.9459
574	Y	A	1.7891
575	F	A	1.0697
576	M	A	0.1580
577	K	A	-1.8794
578	G	A	-1.2090
579	S	A	0.4459
580	I	A	0.8622
581	I	A	0.2136
582	Q	A	-0.8712
583	L	A	-0.6344
584	A	A	-0.6106
585	N	A	-1.1762
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684	I	A	0.0000
685	S	A	-0.0174
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687	T	A	-0.2931
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690	N	A	-2.0906
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697	K	A	-2.0946
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699	G	A	-1.9750
700	Q	A	-1.9616
701	P	A	-1.0380
702	V	A	0.1280
703	D	A	-1.2279
704	P	A	-0.0493
705	A	A	0.6038
706	S	A	0.7493
707	V	A	2.0999
708	L	A	2.4953
709	L	A	1.6070
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711	H	A	-1.6599
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714	A	A	-1.7602
715	D	A	-2.1666
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717	L	A	0.7208
718	A	A	0.2274
719	G	A	-1.0300
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722	H	A	-2.6753
723	R	A	-2.0775
724	Y	A	-0.3049
725	A	A	-0.8777
726	E	A	-2.4630
727	Q	A	-3.1042
728	E	A	-3.5101
729	N	A	-2.1849
730	G	A	-0.9022
731	I	A	0.6225
732	N	A	-1.1934
733	Q	A	-1.6979
734	G	A	-1.4498
735	S	A	-1.0755
736	A	A	-0.4862
737	Q	A	-0.3473
738	M	A	0.9706
739	L	A	1.1034
740	S	A	-0.5520
741	E	A	-2.3461
742	N	A	-2.5229
743	G	A	-2.2903
744	E	A	-2.0302
745	L	A	-0.0072
746	K	A	-0.7775
747	F	A	0.4691
748	P	A	-0.7160
749	E	A	-2.2258
750	K	A	-1.8092
751	M	A	-0.1730
752	G	A	0.3829
753	L	A	1.2471
754	P	A	0.4723
755	A	A	0.2811
756	A	A	0.7300
757	P	A	1.2409
758	F	A	2.3433
759	L	A	2.1889
760	T	A	0.6992
761	K	A	-0.6083
762	I	A	0.3731
763	E	A	-1.4363
764	P	A	-1.2994
765	S	A	-1.4166
766	K	A	-1.9595
767	P	A	-1.1069
768	A	A	-0.4778
769	A	A	-0.8226
770	T	A	-1.3047
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772	K	A	-3.9208
773	R	A	-3.7376
774	R	A	-2.7984
775	W	A	-0.4090
776	S	A	-0.0740
777	A	A	-0.3370
778	P	A	-1.1754
779	E	A	-2.4264
780	S	A	-2.4917
781	R	A	-2.8692
782	K	A	-2.4921
783	L	A	-1.1343
784	E	A	-2.3356
785	K	A	-3.2038
786	S	A	-3.0823
787	E	A	-3.8883
788	D	A	-3.9970
789	E	A	-3.3908
790	P	A	-1.6290
791	P	A	-0.0862
792	L	A	1.6736
793	T	A	1.3358
794	L	A	1.3078
795	P	A	-0.3276
796	K	A	-1.6641
797	P	A	-0.8983
798	S	A	0.6404
799	L	A	2.2810
800	I	A	2.3082
801	P	A	0.1329
802	Q	A	-1.6617
803	E	A	-2.0412
804	V	A	0.1245
805	K	A	-0.1357
806	I	A	2.3873
807	C	A	2.0021
808	I	A	1.8469
809	E	A	-1.3307
810	G	A	-1.8679
811	R	A	-2.8596
812	S	A	-1.6390
813	N	A	-1.0719
814	V	A	0.4774
815	G	A	-0.5471
816	K	A	-1.5296