Project name: f4d3c824e564cfe

Chain sequence(s)	A: MGDGTEFVVRSDREDKKLAEDRISDEQVVKNELVRSDEVRDDNEDEVFEEAIGSENDEQEEEEDPKRELFESDDLPLVETLKSSMVEHEVEDFEEAVGDLDETSSNEGGVKDFTAVGESHGAGEAEFDVLATKMNGDKGEGGGGGSYDKVESSLDVVDTTENATSTNTNGSNLAAEHVGIENGKTHSFLGNGIASPKNKEVVAEVIPKDDGIEEPWNDGIEVDNWEERVDGIQTEQEVEEGEGTTENQFEKRTEEEVVEGEGTSKNLFEKQTEQDVVEGEGTSKDLFENGSVCMDSESEAERNGETGAAYTSNIVTNASGDNEVSSAVTSSPLEESSSGEKGETEGDSTCLKPEQHLASSPHSYPESTEVHSNSGSPGVTSREHKPVQSANGGHDVQSPQPNKELEKQQSSRVHVDPEITENSHVETEPEVVSSVSPTESRSNPAALPPARPAGLGRASPLLEPASRAPQQSRVNGNGSHNQFQQAEDSTTTEADEHDETREKLQLIRVKFLRLAHRLGQTPHNVVVAQVLYRLGLAEQLRGRNGSRVGAFSFDRASAMAEQLEAAGQDPLDFSCTIMVLGKSGVGKSATINSIFDEVKFCTDAFQMGTKRVQDVEGLVQGIKVRVIDTPGLLPSWSDQAKNEKILNSVKAFIKKNPPDIVLYLDRLDMQSRDSGDMPLLRTISDVFGPSIWFNAIVGLTHAASVPPDGPNGTASSYDMFVTQRSHVIQQAIRQAAGDMRLMNPVSLVENHSACRTNRAGQRVLPNGQVWKPHLLLLSFASKILAEANALLKLQDNIPGRPFAARSKAPPLPFLLSSLLQSRPQPKLPEQQYGDEEDEDDLEESSDSDEESEYDQLPPFKSLTKAQMATLSKSQKKQYLDEMEYREKLLMKKQMKEERKRRKMFKKFAAEIKDLPDGYSENVEEESGGPASVPVPMPDLSLPASFDSDNPTHRYRYLDSSNQWLVRPVLETHGWDHDIGYEGVNAERLFVVKEKIPISVSGQVTKDKKDANVQLEMASSVKHGEGKSTSLGFDMQTVGKELAYTLRSETRFNNFRRNKAAAGLSVTHLGDSVSAGLKVEDKFIASKWFRIVMSGGAMTSRGDFAYGGTLEAQLRDKDYPLGRFLTTLGLSVMDWHGDLAIGGNIQSQVPIGRSSNLIARANLNNRGAGQVSVRVNSSEQLQLAMVAIVPLFKKLLSYYYPQTQYGQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -4.9967
• Maximal score value: 3.6021
• Average score: -0.8661
• Total score value: -1044.5024

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	0.3388
2	G	A	-0.8120
3	D	A	-2.2710
4	G	A	-1.9035
5	T	A	-1.3484
6	E	A	-0.8909
7	F	A	2.3846
8	V	A	2.9501
9	V	A	2.3106
10	R	A	-1.2014
11	S	A	-2.1829
12	D	A	-3.5940
13	R	A	-4.1806
14	E	A	-4.4341
15	D	A	-4.2853
16	K	A	-3.4628
17	K	A	-2.1311
18	L	A	0.0033
19	A	A	-0.9525
20	E	A	-2.7003
21	D	A	-3.1581
22	R	A	-2.1744
23	I	A	0.0665
24	S	A	-0.9837
25	D	A	-2.6743
26	E	A	-2.6404
27	Q	A	-1.2688
28	V	A	1.3053
29	V	A	0.7804
30	K	A	-1.7293
31	N	A	-2.3543
32	E	A	-1.4221
33	L	A	0.8002
34	V	A	1.0902
35	R	A	-1.0464
36	S	A	-2.1155
37	D	A	-2.7898
38	E	A	-2.3687
39	V	A	-0.8789
40	R	A	-2.8091
41	D	A	-3.6775
42	D	A	-4.1474
43	N	A	-3.9751
44	E	A	-4.1039
45	D	A	-3.2143
46	E	A	-1.9732
47	V	A	0.9567
48	F	A	0.9707
49	E	A	-1.3492
50	E	A	-1.8363
51	A	A	-0.1958
52	I	A	1.3095
53	G	A	-0.1732
54	S	A	-1.1735
55	E	A	-3.3493
56	N	A	-3.6821
57	D	A	-3.9661
58	E	A	-4.2314
59	Q	A	-3.7335
60	E	A	-4.3825
61	E	A	-4.2693
62	E	A	-4.5862
63	E	A	-4.3598
64	D	A	-3.5092
65	P	A	-2.6339
66	K	A	-3.4320
67	R	A	-3.3314
68	E	A	-1.8410
69	L	A	0.6249
70	F	A	1.2354
71	E	A	-0.8694
72	S	A	-1.9058
73	D	A	-2.8050
74	D	A	-2.0026
75	L	A	0.5432
76	P	A	1.2916
77	L	A	2.2927
78	V	A	1.6237
79	E	A	-0.3559
80	T	A	-0.2502
81	L	A	0.2591
82	K	A	-1.1237
83	S	A	-0.4220
84	S	A	0.1589
85	M	A	1.3026
86	V	A	0.7868
87	E	A	-1.3938
88	H	A	-2.2577
89	E	A	-2.2930
90	V	A	-0.9000
91	E	A	-1.8900
92	D	A	-2.1478
93	F	A	-0.4338
94	E	A	-1.9749
95	E	A	-2.0371
96	A	A	-0.6900
97	V	A	0.6178
98	G	A	-0.5072
99	D	A	-1.4088
100	L	A	-0.5076
101	D	A	-2.3814
102	E	A	-2.6393
103	T	A	-1.3802
104	S	A	-1.0042
105	S	A	-1.3223
106	N	A	-2.4514
107	E	A	-2.8479
108	G	A	-1.5158
109	G	A	-0.5350
110	V	A	0.2882
111	K	A	-1.4366
112	D	A	-1.3137
113	F	A	0.6489
114	T	A	0.8351
115	A	A	0.9544
116	V	A	1.0839
117	G	A	-0.5558
118	E	A	-1.9728
119	S	A	-1.6866
120	H	A	-1.7195
121	G	A	-1.0728
122	A	A	-1.0830
123	G	A	-1.5143
124	E	A	-2.3817
125	A	A	-1.5782
126	E	A	-1.6292
127	F	A	0.6193
128	D	A	0.1030
129	V	A	2.0987
130	L	A	2.2477
131	A	A	0.8402
132	T	A	-0.1836
133	K	A	-1.4686
134	M	A	-0.7303
135	N	A	-1.7495
136	G	A	-2.1248
137	D	A	-3.1524
138	K	A	-3.3594
139	G	A	-2.6709
140	E	A	-2.8127
141	G	A	-2.1111
142	G	A	-1.5567
143	G	A	-1.3757
144	G	A	-0.9665
145	G	A	-0.6573
146	S	A	-0.3348
147	Y	A	-0.1638
148	D	A	-1.5920
149	K	A	-1.7566
150	V	A	-0.3385
151	E	A	-1.5128
152	S	A	-0.5148
153	S	A	-0.3715
154	L	A	0.9316
155	D	A	0.1433
156	V	A	1.7491
157	V	A	1.3818
158	D	A	-0.6050
159	T	A	-1.0038
160	T	A	-1.6064
161	E	A	-2.4850
162	N	A	-2.1677
163	A	A	-1.1366
164	T	A	-0.4396
165	S	A	-0.5126
166	T	A	-0.8270
167	N	A	-1.6698
168	T	A	-1.5137
169	N	A	-1.8636
170	G	A	-1.3507
171	S	A	-1.0393
172	N	A	-0.6175
173	L	A	0.7874
174	A	A	0.0326
175	A	A	-0.7283
176	E	A	-1.8933
177	H	A	-1.1062
178	V	A	1.0682
179	G	A	0.8497
180	I	A	0.9846
181	E	A	-1.6211
182	N	A	-2.3131
183	G	A	-2.2731
184	K	A	-2.4341
185	T	A	-1.5258
186	H	A	-1.0899
187	S	A	0.4746
188	F	A	2.3247
189	L	A	1.9191
190	G	A	0.1605
191	N	A	-0.9587
192	G	A	-0.1309
193	I	A	1.4634
194	A	A	0.8114
195	S	A	-0.3170
196	P	A	-1.5487
197	K	A	-2.8728
198	N	A	-3.3030
199	K	A	-3.1274
200	E	A	-1.7616
201	V	A	0.9546
202	V	A	1.8456
203	A	A	0.9443
204	E	A	0.1217
205	V	A	1.8236
206	I	A	1.7817
207	P	A	-0.4719
208	K	A	-2.5915
209	D	A	-3.2513
210	D	A	-2.8901
211	G	A	-1.4941
212	I	A	-0.1746
213	E	A	-1.7851
214	E	A	-2.1496
215	P	A	-1.1398
216	W	A	-0.6453
217	N	A	-1.6038
218	D	A	-1.9671
219	G	A	-1.1070
220	I	A	0.7178
221	E	A	-0.4658
222	V	A	0.2407
223	D	A	-1.4256
224	N	A	-1.5148
225	W	A	-0.8404
226	E	A	-2.7972
227	E	A	-2.9895
228	R	A	-2.5420
229	V	A	-0.5646
230	D	A	-1.1516
231	G	A	-0.3069
232	I	A	0.8329
233	Q	A	-0.7748
234	T	A	-1.4435
235	E	A	-3.1038
236	Q	A	-2.7561
237	E	A	-2.3994
238	V	A	-0.7209
239	E	A	-2.1829
240	E	A	-2.8996
241	G	A	-2.6410
242	E	A	-2.6881
243	G	A	-1.6332
244	T	A	-1.1166
245	T	A	-1.4674
246	E	A	-2.7219
247	N	A	-2.4156
248	Q	A	-1.7468
249	F	A	-0.2567
250	E	A	-2.1376
251	K	A	-3.1469
252	R	A	-3.5639
253	T	A	-2.7829
254	E	A	-3.6009
255	E	A	-3.3915
256	E	A	-2.0269
257	V	A	1.1011
258	V	A	1.3519
259	E	A	-1.2162
260	G	A	-2.0020
261	E	A	-2.6880
262	G	A	-1.6830
263	T	A	-1.1549
264	S	A	-1.4612
265	K	A	-2.1608
266	N	A	-1.2058
267	L	A	0.8771
268	F	A	0.8265
269	E	A	-1.6362
270	K	A	-2.7736
271	Q	A	-2.8707
272	T	A	-2.9553
273	E	A	-3.3915
274	Q	A	-2.8515
275	D	A	-1.3755
276	V	A	1.1624
277	V	A	1.3412
278	E	A	-1.3010
279	G	A	-2.0822
280	E	A	-2.6982
281	G	A	-1.6607
282	T	A	-1.1558
283	S	A	-1.6616
284	K	A	-2.5195
285	D	A	-1.7041
286	L	A	0.9404
287	F	A	1.1377
288	E	A	-1.1233
289	N	A	-2.0067
290	G	A	-1.1773
291	S	A	0.3039
292	V	A	2.1465
293	C	A	1.7388
294	M	A	0.8241
295	D	A	-1.5891
296	S	A	-1.8240
297	E	A	-2.7784
298	S	A	-2.0715
299	E	A	-2.6906
300	A	A	-2.2654
301	E	A	-3.3153
302	R	A	-3.7090
303	N	A	-3.3242
304	G	A	-2.6663
305	E	A	-2.7230
306	T	A	-1.2667
307	G	A	-0.9286
308	A	A	0.1583
309	A	A	0.6876
310	Y	A	1.2880
311	T	A	0.2240
312	S	A	-0.1890
313	N	A	0.0806
314	I	A	2.1242
315	V	A	2.2020
316	T	A	0.5992
317	N	A	-1.0501
318	A	A	-1.0720
319	S	A	-1.2109
320	G	A	-1.9576
321	D	A	-3.0724
322	N	A	-2.7668
323	E	A	-1.9871
324	V	A	0.3628
325	S	A	0.1556
326	S	A	0.4357
327	A	A	0.7593
328	V	A	1.6828
329	T	A	0.6446
330	S	A	-0.0616
331	S	A	-0.1579
332	P	A	-0.0737
333	L	A	0.0262
334	E	A	-1.9247
335	E	A	-2.5256
336	S	A	-1.7225
337	S	A	-0.8840
338	S	A	-0.9557
339	G	A	-1.9435
340	E	A	-3.1513
341	K	A	-3.4186
342	G	A	-2.6341
343	E	A	-2.8970
344	T	A	-2.1674
345	E	A	-2.8907
346	G	A	-2.6024
347	D	A	-2.5335
348	S	A	-1.2219
349	T	A	0.0215
350	C	A	1.0545
351	L	A	0.9768
352	K	A	-1.1690
353	P	A	-1.8500
354	E	A	-3.0698
355	Q	A	-2.3418
356	H	A	-1.1108
357	L	A	0.7701
358	A	A	0.4421
359	S	A	-0.0421
360	S	A	-0.6884
361	P	A	-0.7671
362	H	A	-0.9023
363	S	A	-0.2760
364	Y	A	0.3914
365	P	A	-0.7238
366	E	A	-1.8111
367	S	A	-1.5460
368	T	A	-1.2340
369	E	A	-1.2264
370	V	A	0.1613
371	H	A	-0.9240
372	S	A	-1.2973
373	N	A	-1.8400
374	S	A	-1.2659
375	G	A	-1.0975
376	S	A	-0.8181
377	P	A	-0.3438
378	G	A	0.2347
379	V	A	1.4191
380	T	A	0.2455
381	S	A	-1.2169
382	R	A	-3.2254
383	E	A	-3.7570
384	H	A	-3.0491
385	K	A	-2.3441
386	P	A	-0.8499
387	V	A	0.5180
388	Q	A	-0.6245
389	S	A	-0.7879
390	A	A	-0.8783
391	N	A	-1.7923
392	G	A	-1.6425
393	G	A	-1.9819
394	H	A	-1.9817
395	D	A	-1.8816
396	V	A	0.0002
397	Q	A	-0.7740
398	S	A	-0.8016
399	P	A	-1.2554
400	Q	A	-1.7773
401	P	A	-1.9240
402	N	A	-2.9624
403	K	A	-3.0313
404	E	A	-2.6630
405	L	A	-0.9748
406	E	A	-2.5724
407	K	A	-3.2077
408	Q	A	-3.2193
409	Q	A	-2.4241
410	S	A	-1.4252
411	S	A	-1.1451
412	R	A	-1.2534
413	V	A	0.3922
414	H	A	-0.1644
415	V	A	0.6871
416	D	A	-1.3580
417	P	A	-1.2287
418	E	A	-1.3915
419	I	A	0.4348
420	T	A	-0.6231
421	E	A	-2.0461
422	N	A	-2.4803
423	S	A	-1.3222
424	H	A	-0.9195
425	V	A	0.3411
426	E	A	-1.6070
427	T	A	-1.4530
428	E	A	-2.8256
429	P	A	-2.0805
430	E	A	-1.1666
431	V	A	1.6004
432	V	A	2.3240
433	S	A	1.1919
434	S	A	1.0384
435	V	A	1.6670
436	S	A	0.2365
437	P	A	-0.4521
438	T	A	-1.2746
439	E	A	-2.4591
440	S	A	-2.0989
441	R	A	-2.7624
442	S	A	-1.8185
443	N	A	-1.8624
444	P	A	-0.8251
445	A	A	-0.0457
446	A	A	0.5461
447	L	A	1.3751
448	P	A	0.1647
449	P	A	-0.4455
450	A	A	-0.9036
451	R	A	-1.9678
452	P	A	-1.4498
453	A	A	-0.4052
454	G	A	-0.7689
455	L	A	-0.4009
456	G	A	-1.5289
457	R	A	-2.0524
458	A	A	-0.9321
459	S	A	-0.4032
460	P	A	0.7354
461	L	A	1.7809
462	L	A	1.3224
463	E	A	-0.8850
464	P	A	-0.8638
465	A	A	-0.9092
466	S	A	-1.1141
467	R	A	-1.9611
468	A	A	-1.2540
469	P	A	-1.4565
470	Q	A	-1.9253
471	Q	A	-2.3038
472	S	A	-1.5336
473	R	A	-1.4643
474	V	A	0.0014
475	N	A	-1.4072
476	G	A	-1.5276
477	N	A	-2.0843
478	G	A	-1.7388
479	S	A	-1.4864
480	H	A	-2.0537
481	N	A	-2.0283
482	Q	A	-1.4781
483	F	A	0.2264
484	Q	A	-1.0598
485	Q	A	-1.7906
486	A	A	-2.0294
487	E	A	-3.0149
488	D	A	-2.7813
489	S	A	-1.8412
490	T	A	-1.6568
491	T	A	-1.5264
492	T	A	-1.9843
493	E	A	-3.3319
494	A	A	-3.0998
495	D	A	-4.4569
496	E	A	-4.6903
497	H	A	-4.2058
498	D	A	-4.9914
499	E	A	-4.9967
500	T	A	-3.4295
501	R	A	-3.4714
502	E	A	-3.4666
503	K	A	-2.3593
504	L	A	0.0000
505	Q	A	-1.1246
506	L	A	0.4167
507	I	A	0.0000
508	R	A	0.0000
509	V	A	0.0000
510	K	A	-0.1070
511	F	A	0.0000
512	L	A	0.0000
513	R	A	0.0000
514	L	A	0.0000
515	A	A	0.0000
516	H	A	-1.7339
517	R	A	-1.2937
518	L	A	0.0000
519	G	A	-1.1570
520	Q	A	-0.9272
521	T	A	-0.7842
522	P	A	-0.7705
523	H	A	-0.8264
524	N	A	-0.0954
525	V	A	1.1313
526	V	A	0.5481
527	V	A	0.0000
528	A	A	-0.1308
529	Q	A	-0.8109
530	V	A	0.0000
531	L	A	0.0000
532	Y	A	0.3174
533	R	A	-1.4218
534	L	A	0.0000
535	G	A	0.0054
536	L	A	0.2884
537	A	A	0.0463
538	E	A	-0.6810
539	Q	A	-0.9954
540	L	A	0.4229
541	R	A	-0.9640
542	G	A	-1.7609
543	R	A	-2.5669
544	N	A	-2.6454
545	G	A	-2.1196
546	S	A	-1.7877
547	R	A	-1.9285
548	V	A	-0.8502
549	G	A	-0.5585
550	A	A	-0.1036
551	F	A	0.0845
552	S	A	-0.8980
553	F	A	-0.6323
554	D	A	-2.2415
555	R	A	-2.4942
556	A	A	0.0000
557	S	A	-1.5753
558	A	A	-1.5502
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570	P	A	-1.8538
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592	N	A	-0.6977
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595	F	A	-1.1891
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603	D	A	-1.4541
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623	K	A	-1.1971
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685	D	A	-2.4237
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689	P	A	-0.4450
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693	F	A	1.1734
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703	A	A	-0.3456
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711	N	A	-2.0041
712	G	A	-1.8059
713	T	A	-1.4393
714	A	A	-0.9999
715	S	A	-0.7840
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721	V	A	-0.5622
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731	A	A	-1.3943
732	I	A	0.0000
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750	N	A	-0.9280
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1024	E	A	-3.0031
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1092	M	A	1.5903
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1094	G	A	1.0995
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1098	T	A	0.8277
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1100	R	A	-1.6231
1101	G	A	-1.0979
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1103	F	A	1.3925
1104	A	A	0.0000
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1108	T	A	1.0645
1109	L	A	1.6167
1110	E	A	0.8179
1111	A	A	1.1262
1112	Q	A	0.5151
1113	L	A	0.9168
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1123	F	A	0.0138
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1125	T	A	0.7054
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1127	L	A	1.6656
1128	G	A	0.0000
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1130	S	A	1.6649
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1135	H	A	-1.0875
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1143	N	A	0.5831
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1148	V	A	1.1145
1149	P	A	0.7431
1150	I	A	1.7146
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1175	N	A	-1.0675
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1184	M	A	2.7531
1185	V	A	3.6021
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1187	I	A	3.4878
1188	V	A	3.5655
1189	P	A	1.8449
1190	L	A	2.8955
1191	F	A	3.1892
1192	K	A	0.6890
1193	K	A	0.6969
1194	L	A	3.0324
1195	L	A	2.8361
1196	S	A	1.5619
1197	Y	A	2.5825
1198	Y	A	2.7875
1199	Y	A	2.2560
1200	P	A	0.4804
1201	Q	A	-0.8617
1202	T	A	-0.7884
1203	Q	A	-1.2687
1204	Y	A	0.0069
1205	G	A	-0.7704
1206	Q	A	-1.2434