Project name: 1f8a81cb02124b9

Chain sequence(s)	A: MKSNQERSNECLPPKKREIPATSRSSEEKAPTLPSDNHRVEGTAWLPGNPGGRGHGGGRHGPAGTSVELGLQQGIGLHKALSTGLDYSPPSAPRSVPVATTLPAAYATPQPGTPVSPVQYAHLPHTFQFIGSSQYSGTYASFIPSQLIPPTANPVTSAVASAAGATTPSQRSQLEAYSTLLANMGSLSQTPGHKAEQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQHLSRAPGLITPGSPPPAQQNQYVHISSSPQNTGRTASPPAIPVHLHPHQTMIPHTLTLGPPSQVVMQYADSGSHFVPREATKKAESSRLQQAIQAKEVLNGEMEKSRRYGAPSSADLGLGKAGGKSVPHPYESRHVVVHPSPSDYSSRDPSGVRASVMVLPNSNTPAADLEVQQATHREASPSTLNDKSGLHLGKPGHRSYALSPHTVIQTTHSASEPLPVGLPATAFYAGTQPPVIGYLSGQQQAITYAGSLPQHLVIPGTQPLLIPVGSTDMEASGAAPAIVTSSPQFAAVPHTFVTTALPKSENFNPEALVTQAAYPAMVQAQIHLPVVQSVASPAAAPPTLPPYFMKGSIIQLANGELKKVEDLKTEDFIQSAEISNDLKIDSSTVERIEDSHSPGVAVIQFAVGEHRAQVSVEVLVEYPFFVFGQGWSSCCPERTSQLFDLPCSKLSVGDVCISLTLKNLKNGSVKKGQPVDPASVLLKHSKADGLAGSRHRYAEQENGINQGSAQMLSENGELKFPEKMGLPAAPFLTKIEPSKPAATRKRRWSAPESRKLEKSEDEPPLTLPKPSLIPQEVKICIEGRSNVGK
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:15)

• Minimal score value: -5.2276
• Maximal score value: 3.3846
• Average score: -0.6884
• Total score value: -575.4965

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	0.0309
2	K	A	-1.7847
3	S	A	-2.0270
4	N	A	-3.3541
5	Q	A	-3.7583
6	E	A	-4.3135
7	R	A	-4.0972
8	S	A	-3.0442
9	N	A	-2.8315
10	E	A	-2.3317
11	C	A	-0.1334
12	L	A	0.6519
13	P	A	-0.3315
14	P	A	-1.3498
15	K	A	-3.1545
16	K	A	-3.7741
17	R	A	-3.6638
18	E	A	-2.4299
19	I	A	0.3940
20	P	A	0.0867
21	A	A	-0.0397
22	T	A	-0.3467
23	S	A	-1.1827
24	R	A	-2.1116
25	S	A	-1.6406
26	S	A	-2.0345
27	E	A	-3.2657
28	E	A	-3.6714
29	K	A	-3.0670
30	A	A	-1.3112
31	P	A	-0.3646
32	T	A	0.4949
33	L	A	1.2943
34	P	A	0.0605
35	S	A	-1.1068
36	D	A	-2.7643
37	N	A	-3.0910
38	H	A	-2.7040
39	R	A	-2.2184
40	V	A	-0.5074
41	E	A	-1.8745
42	G	A	-1.3519
43	T	A	-0.1288
44	A	A	0.8742
45	W	A	1.9258
46	L	A	1.9108
47	P	A	0.3531
48	G	A	-0.9690
49	N	A	-1.7954
50	P	A	-1.2882
51	G	A	-1.5313
52	G	A	-1.8435
53	R	A	-2.6492
54	G	A	-2.1454
55	H	A	-1.9604
56	G	A	-1.4192
57	G	A	-1.5362
58	G	A	-1.9412
59	R	A	-2.7567
60	H	A	-2.2656
61	G	A	-1.4345
62	P	A	-0.7382
63	A	A	-0.3974
64	G	A	-0.5665
65	T	A	-0.0354
66	S	A	0.1639
67	V	A	1.0284
68	E	A	-0.2696
69	L	A	1.0683
70	G	A	0.4713
71	L	A	0.7434
72	Q	A	-1.2032
73	Q	A	-1.2274
74	G	A	-0.4701
75	I	A	1.6731
76	G	A	0.9352
77	L	A	0.9335
78	H	A	-1.1466
79	K	A	-1.4561
80	A	A	-0.1475
81	L	A	0.9924
82	S	A	0.4053
83	T	A	0.2336
84	G	A	0.0476
85	L	A	0.7467
86	D	A	-0.6256
87	Y	A	0.6250
88	S	A	-0.0277
89	P	A	-0.3764
90	P	A	-0.3935
91	S	A	-0.4204
92	A	A	-0.6325
93	P	A	-1.2404
94	R	A	-1.6610
95	S	A	-0.3153
96	V	A	1.4613
97	P	A	1.4235
98	V	A	1.9961
99	A	A	0.8309
100	T	A	0.6367
101	T	A	0.6277
102	L	A	1.3794
103	P	A	0.5552
104	A	A	0.5182
105	A	A	0.6977
106	Y	A	1.3696
107	A	A	0.6379
108	T	A	-0.0845
109	P	A	-0.8918
110	Q	A	-1.5362
111	P	A	-1.1090
112	G	A	-0.8807
113	T	A	-0.1223
114	P	A	0.4410
115	V	A	1.4857
116	S	A	0.8013
117	P	A	0.6359
118	V	A	1.2594
119	Q	A	0.3017
120	Y	A	0.8961
121	A	A	0.3298
122	H	A	-0.0103
123	L	A	0.7281
124	P	A	0.0279
125	H	A	-0.3881
126	T	A	0.4540
127	F	A	1.4082
128	Q	A	0.8177
129	F	A	1.9495
130	I	A	2.1938
131	G	A	0.7691
132	S	A	-0.2593
133	S	A	-0.7153
134	Q	A	-0.7494
135	Y	A	0.4912
136	S	A	-0.0470
137	G	A	-0.0854
138	T	A	0.2930
139	Y	A	1.1788
140	A	A	0.9724
141	S	A	1.4565
142	F	A	2.7435
143	I	A	2.6930
144	P	A	1.0220
145	S	A	-0.1469
146	Q	A	-0.1192
147	L	A	1.8098
148	I	A	2.2938
149	P	A	0.8267
150	P	A	0.0717
151	T	A	-0.4905
152	A	A	-0.7678
153	N	A	-1.0663
154	P	A	0.0034
155	V	A	1.3190
156	T	A	0.6794
157	S	A	0.5030
158	A	A	0.7952
159	V	A	1.7399
160	A	A	0.8686
161	S	A	0.3385
162	A	A	0.1400
163	A	A	-0.1796
164	G	A	-0.4093
165	A	A	-0.2140
166	T	A	-0.2199
167	T	A	-0.2764
168	P	A	-0.6484
169	S	A	-1.3446
170	Q	A	-2.3495
171	R	A	-2.8405
172	S	A	-1.6109
173	Q	A	-1.2273
174	L	A	0.0218
175	E	A	-1.0163
176	A	A	0.1055
177	Y	A	0.8550
178	S	A	0.7871
179	T	A	1.2195
180	L	A	2.1392
181	L	A	2.0445
182	A	A	0.7398
183	N	A	-0.3406
184	M	A	0.1589
185	G	A	-0.0505
186	S	A	0.1877
187	L	A	0.9680
188	S	A	-0.0881
189	Q	A	-1.2558
190	T	A	-1.2715
191	P	A	-1.4267
192	G	A	-2.0843
193	H	A	-3.3760
194	K	A	-3.8707
195	A	A	-3.4814
196	E	A	-4.7704
197	Q	A	-4.9203
198	Q	A	-4.8974
199	Q	A	-5.1352
200	Q	A	-5.2276
201	Q	A	-5.0995
202	Q	A	-5.1748
203	Q	A	-5.0388
204	Q	A	-5.0619
205	Q	A	-5.0517
206	Q	A	-5.0032
207	Q	A	-4.9927
208	Q	A	-5.0114
209	Q	A	-5.0206
210	Q	A	-4.9858
211	Q	A	-5.0110
212	Q	A	-5.0089
213	Q	A	-4.9750
214	Q	A	-4.9525
215	Q	A	-4.9390
216	Q	A	-4.9493
217	Q	A	-4.9252
218	Q	A	-4.9493
219	Q	A	-4.9314
220	Q	A	-4.9632
221	Q	A	-4.9505
222	Q	A	-4.9479
223	Q	A	-4.9256
224	Q	A	-4.9556
225	Q	A	-4.9332
226	Q	A	-4.8936
227	Q	A	-4.8795
228	Q	A	-4.9101
229	Q	A	-4.8508
230	Q	A	-4.8176
231	Q	A	-4.8404
232	Q	A	-4.8439
233	Q	A	-4.7639
234	Q	A	-4.7735
235	Q	A	-4.7641
236	Q	A	-4.6495
237	Q	A	-4.5866
238	Q	A	-4.6599
239	Q	A	-4.4639
240	Q	A	-4.2002
241	Q	A	-4.5086
242	Q	A	-4.1439
243	Q	A	-3.5899
244	Q	A	-3.5036
245	Q	A	-3.3266
246	Q	A	-2.9698
247	H	A	-2.3482
248	L	A	-0.6493
249	S	A	-1.3955
250	R	A	-2.0573
251	A	A	-0.8029
252	P	A	-0.5872
253	G	A	0.6062
254	L	A	2.2321
255	I	A	2.5828
256	T	A	1.0480
257	P	A	-0.2000
258	G	A	-0.7726
259	S	A	-0.6916
260	P	A	-0.6543
261	P	A	-0.5334
262	P	A	-0.6354
263	A	A	-0.9643
264	Q	A	-2.0562
265	Q	A	-2.6061
266	N	A	-2.3875
267	Q	A	-1.0721
268	Y	A	1.1530
269	V	A	2.0892
270	H	A	1.0867
271	I	A	1.7129
272	S	A	0.4636
273	S	A	-0.0712
274	S	A	-0.7726
275	P	A	-1.3103
276	Q	A	-2.1124
277	N	A	-2.3016
278	T	A	-1.6097
279	G	A	-1.9204
280	R	A	-2.2595
281	T	A	-1.1134
282	A	A	-0.5051
283	S	A	-0.3632
284	P	A	-0.4572
285	P	A	0.0216
286	A	A	0.8091
287	I	A	2.2228
288	P	A	1.5191
289	V	A	1.8930
290	H	A	0.4198
291	L	A	0.8579
292	H	A	-0.7809
293	P	A	-1.2351
294	H	A	-1.9514
295	Q	A	-1.5455
296	T	A	0.0178
297	M	A	1.6593
298	I	A	2.1767
299	P	A	0.4927
300	H	A	-0.4709
301	T	A	0.1338
302	L	A	1.5926
303	T	A	1.3217
304	L	A	1.5391
305	G	A	0.1065
306	P	A	-0.3611
307	P	A	-0.8357
308	S	A	-0.3640
309	Q	A	0.0273
310	V	A	2.1642
311	V	A	2.5486
312	M	A	1.9685
313	Q	A	0.5272
314	Y	A	0.6327
315	A	A	-0.4502
316	D	A	-1.6674
317	S	A	-1.3416
318	G	A	-1.2923
319	S	A	-0.5471
320	H	A	0.1553
321	F	A	2.2041
322	V	A	1.9583
323	P	A	-0.2977
324	R	A	-2.5025
325	E	A	-2.7643
326	A	A	-1.5773
327	T	A	-1.6267
328	K	A	-2.5503
329	K	A	-2.9282
330	A	A	-2.1547
331	E	A	-2.5145
332	S	A	-1.6677
333	S	A	-1.4740
334	R	A	-1.6590
335	L	A	-0.4001
336	Q	A	-1.1983
337	Q	A	-1.1759
338	A	A	-0.0124
339	I	A	0.9270
340	Q	A	-0.6758
341	A	A	-1.3399
342	K	A	-2.2467
343	E	A	-1.3909
344	V	A	0.9839
345	L	A	1.2772
346	N	A	-0.7002
347	G	A	-1.4584
348	E	A	-2.1998
349	M	A	-1.2065
350	E	A	-2.8108
351	K	A	-2.8435
352	S	A	-2.7079
353	R	A	-3.1231
354	R	A	-2.2657
355	Y	A	-0.1483
356	G	A	-0.2055
357	A	A	-0.0750
358	P	A	-0.4709
359	S	A	-0.4272
360	S	A	-0.7580
361	A	A	-0.7192
362	D	A	-1.1094
363	L	A	0.7239
364	G	A	0.6725
365	L	A	1.0275
366	G	A	-0.6296
367	K	A	-1.6718
368	A	A	-1.2477
369	G	A	-1.3757
370	G	A	-1.5738
371	K	A	-1.7772
372	S	A	-0.2823
373	V	A	1.0372
374	P	A	-0.0270
375	H	A	-0.6604
376	P	A	-0.4932
377	Y	A	-0.1263
378	E	A	-1.9638
379	S	A	-1.7786
380	R	A	-2.3025
381	H	A	-0.7669
382	V	A	1.6440
383	V	A	1.9043
384	V	A	2.0266
385	H	A	0.2918
386	P	A	-0.3212
387	S	A	-0.5134
388	P	A	-0.9862
389	S	A	-1.0055
390	D	A	-1.3309
391	Y	A	0.1604
392	S	A	-0.1104
393	S	A	-0.9082
394	R	A	-2.6902
395	D	A	-2.9025
396	P	A	-1.7936
397	S	A	-0.6228
398	G	A	-0.1056
399	V	A	0.5526
400	R	A	-0.8566
401	A	A	0.0547
402	S	A	0.8762
403	V	A	2.6429
404	M	A	3.0871
405	V	A	3.2568
406	L	A	2.4197
407	P	A	0.2495
408	N	A	-1.2214
409	S	A	-1.3652
410	N	A	-1.8131
411	T	A	-0.9960
412	P	A	-0.7407
413	A	A	-0.4293
414	A	A	-0.5774
415	D	A	-1.3708
416	L	A	0.0833
417	E	A	-0.7404
418	V	A	0.2371
419	Q	A	-1.2738
420	Q	A	-1.4161
421	A	A	-1.0996
422	T	A	-1.2166
423	H	A	-2.3254
424	R	A	-3.2832
425	E	A	-2.9930
426	A	A	-1.4206
427	S	A	-0.7506
428	P	A	-0.4728
429	S	A	-0.0976
430	T	A	0.3163
431	L	A	0.4691
432	N	A	-1.7716
433	D	A	-3.0014
434	K	A	-3.0205
435	S	A	-1.3200
436	G	A	-0.3399
437	L	A	1.0906
438	H	A	0.3672
439	L	A	0.7724
440	G	A	-0.7460
441	K	A	-1.8478
442	P	A	-1.6847
443	G	A	-1.8364
444	H	A	-2.1063
445	R	A	-2.2029
446	S	A	-0.5016
447	Y	A	1.0736
448	A	A	1.1370
449	L	A	1.6332
450	S	A	0.3465
451	P	A	-0.2011
452	H	A	-0.6482
453	T	A	0.6069
454	V	A	2.1697
455	I	A	2.2215
456	Q	A	0.0927
457	T	A	-0.5168
458	T	A	-0.8884
459	H	A	-1.1333
460	S	A	-0.9250
461	A	A	-0.7543
462	S	A	-1.1388
463	E	A	-1.7111
464	P	A	-0.3687
465	L	A	1.2340
466	P	A	1.1820
467	V	A	2.1179
468	G	A	1.2891
469	L	A	1.5867
470	P	A	0.4209
471	A	A	0.2080
472	T	A	0.3510
473	A	A	1.2853
474	F	A	2.6222
475	Y	A	2.2299
476	A	A	0.8483
477	G	A	-0.4629
478	T	A	-0.9329
479	Q	A	-1.5060
480	P	A	-0.6113
481	P	A	0.6533
482	V	A	2.4605
483	I	A	2.8408
484	G	A	1.7997
485	Y	A	2.2262
486	L	A	1.9042
487	S	A	0.3726
488	G	A	-1.1082
489	Q	A	-2.2984
490	Q	A	-2.4650
491	Q	A	-1.5759
492	A	A	0.1865
493	I	A	2.0068
494	T	A	1.5629
495	Y	A	1.5625
496	A	A	0.5675
497	G	A	0.0552
498	S	A	0.3994
499	L	A	0.9588
500	P	A	-0.1099
501	Q	A	-1.1310
502	H	A	-0.2721
503	L	A	2.1403
504	V	A	3.1968
505	I	A	2.9381
506	P	A	0.7263
507	G	A	-0.6076
508	T	A	-0.7755
509	Q	A	-0.9659
510	P	A	0.4147
511	L	A	2.3699
512	L	A	3.1799
513	I	A	3.3846
514	P	A	1.9887
515	V	A	2.0738
516	G	A	0.2166
517	S	A	-0.4406
518	T	A	-0.9478
519	D	A	-1.7702
520	M	A	-0.7662
521	E	A	-1.6721
522	A	A	-0.8682
523	S	A	-0.7971
524	G	A	-0.5219
525	A	A	-0.2405
526	A	A	-0.1122
527	P	A	0.4768
528	A	A	1.3040
529	I	A	2.8787
530	V	A	2.7120
531	T	A	1.0817
532	S	A	-0.0079
533	S	A	-0.6893
534	P	A	-0.6227
535	Q	A	-0.4019
536	F	A	1.3464
537	A	A	1.1624
538	A	A	1.2683
539	V	A	1.4701
540	P	A	0.1781
541	H	A	-0.3584
542	T	A	0.6918
543	F	A	2.5690
544	V	A	2.6892
545	T	A	1.4442
546	T	A	0.8158
547	A	A	0.7327
548	L	A	1.0517
549	P	A	-0.3359
550	K	A	-1.9826
551	S	A	-2.3471
552	E	A	-2.5441
553	N	A	-1.5269
554	F	A	0.3016
555	N	A	-1.0735
556	P	A	-1.3696
557	E	A	-1.8395
558	A	A	0.2311
559	L	A	2.0680
560	V	A	2.2755
561	T	A	0.5135
562	Q	A	-0.8518
563	A	A	-0.2628
564	A	A	0.4276
565	Y	A	1.3409
566	P	A	0.6886
567	A	A	1.0502
568	M	A	1.7228
569	V	A	1.5780
570	Q	A	-0.1297
571	A	A	-0.1689
572	Q	A	-0.3839
573	I	A	1.2471
574	H	A	0.5193
575	L	A	2.0875
576	P	A	1.5418
577	V	A	2.3805
578	V	A	2.5314
579	Q	A	0.6007
580	S	A	0.8071
581	V	A	1.5587
582	A	A	0.4774
583	S	A	0.2342
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706	L	A	1.1083
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718	K	A	-2.5609
719	G	A	-1.9756
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723	D	A	-1.3021
724	P	A	-0.3738
725	A	A	0.2723
726	S	A	1.1241
727	V	A	2.6486
728	L	A	2.7301
729	L	A	1.6289
730	K	A	-0.8889
731	H	A	-1.8903
732	S	A	-1.8901
733	K	A	-2.4417
734	A	A	-1.9949
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736	G	A	-0.7888
737	L	A	0.8970
738	A	A	0.4430
739	G	A	-0.6045
740	S	A	-1.5198
741	R	A	-2.8746
742	H	A	-2.5879
743	R	A	-2.0460
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749	N	A	-2.2678
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752	N	A	-1.0722
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754	G	A	-1.4777
755	S	A	-0.9137
756	A	A	-0.5149
757	Q	A	-0.4011
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759	L	A	1.3555
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761	E	A	-2.5589
762	N	A	-2.8508
763	G	A	-2.1062
764	E	A	-2.0902
765	L	A	0.0677
766	K	A	-0.3719
767	F	A	0.9399
768	P	A	-0.7993
769	E	A	-2.2038
770	K	A	-2.2041
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772	G	A	0.4408
773	L	A	1.4128
774	P	A	0.4610
775	A	A	0.2000
776	A	A	0.3319
777	P	A	1.0866
778	F	A	2.5779
779	L	A	2.0739
780	T	A	0.6521
781	K	A	-0.8103
782	I	A	0.2237
783	E	A	-1.3841
784	P	A	-1.4631
785	S	A	-1.6264
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787	P	A	-1.1543
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793	R	A	-3.8019
794	R	A	-2.7652
795	W	A	-0.5156
796	S	A	-0.6955
797	A	A	-0.7431
798	P	A	-1.3878
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800	S	A	-2.4169
801	R	A	-3.1974
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805	K	A	-2.7480
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809	E	A	-3.2254
810	P	A	-1.2463
811	P	A	0.1748
812	L	A	1.7085
813	T	A	0.9830
814	L	A	1.2839
815	P	A	-0.2508
816	K	A	-1.3870
817	P	A	-0.4479
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819	L	A	1.3293
820	I	A	1.1409
821	P	A	-0.3428
822	Q	A	-1.3628
823	E	A	-2.1246
824	V	A	0.0268
825	K	A	-1.0248
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827	C	A	-0.0873
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829	E	A	-1.5276
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831	R	A	-2.3462
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833	N	A	-1.4781
834	V	A	0.1603
835	G	A	-0.8186
836	K	A	-1.7043