Project name: f47688a191f73ab

Chain sequence(s)	A: MVMEDEPREATIKPSYWLDACEDISCDLIDDLVSEFDPSSVAVNESTDENGVINDFFGGIDHILDSIKNGGGLPNNGVSDTNSQINEVTVTPQVIAKETVKENGLQKNGGKRDEFSKEEGDKDRKRARVCSYQSERSNLSGRGHVNNSREGDRFMNRKRTRNWDEAGNNKKKRECNNYRRDGRDREVRGYWERDKVGSNELVYRSGTWEADHERDVKKVSGGNRECDVKAEENKSKPEERKEKVVEEQARRYQLDVLEQAKAKNTIAFLETGAGKTLIAILLIKSVHKDLMSQNRKMLSVFLVPKVPLVYQQAEVIRNQTCFQVGHYCGEMGQDFWDSRRWQREFESKQVLVMTAQILLNILRHSIIRMETIDLLILDECHHAVKKHPYSLVMSEFYHTTPKDKRPAIFGMTASPVNLKGVSSQVDCAIKIRNLETKLDSTVCTIKDRKELEKHVPMPSEIVVEYDKAATMWSLHETIKQMIAAVEEAAQASSRKSKWQFMGARDAGAKDELRQVYGVSERTESDGAANLIHKLRAINYTLAELGQWCAYKVGQSFLSALQSDERVNFQVDVKFQESYLSEVVSLLQCELLEGAAAEKVAAEVGKPENGNAHDEMEEGELPDDPVVSGGEHVDEVIGAAVADGKVTPKVQSLIKLLLKYQHTADFRAIVFVERVVAALVLPKVFAELPSLSFIRCASMIGHNNSQEMKSSQMQDTISKFRDGHVTLLVATSVAEEGLDIRQCNVVMRFDLAKTVLAYIQSRGRARKPGSDYILMVERGNVSHAAFLRNARNSEETLRKEAIERTDLSHLKDTSRLISIDAVPGTVYKVEATGAMVSLNSAVGLVHFYCSQLPGDRYAILRPEFSMEKHEKPGGHTEYSCRLQLPCNAPFEILEGPVCSSMRLAQQAVCLAACKKLHEMGAFTDMLLPDKGSGQDAEKADQDDEGEPVPGTARHREFYPEGVADVLKGEWVSSGKEVCESSKLFHLYMYNVRCVDFGSSKDPFLSEVSEFAILFGNELDAEVLSMSMDLYVARAMITKASLAFKGSLDITENQLSSLKKFHVRLMSIVLDVDVEPSTTPWDPAKAYLFVPVTDNTSMEPIKGINWELVEKITKTTAWDNPLQRARPDVYLGTNERTLGGDRREYGFGKLRHNIVFGQKSHPTYGIRGAVASFDVVRASGLLPVRDAFEKEVEEDLSKGKLMMADGCMVAEDLIGKIVTAAHSGKRFYVDSICYDMSAETSFPRKEGYLGPLEYNTYADYYKQKYGVDLNCKQQPLIKGRGVSYCKNLLSPRFEQSGESETVLDKTYYVFLPPELCVVHPLSGSLIRGAQRLPSIMRRVESMLLAVQLKNLISYPIPTSKILEALTAASCQETFCYERAELLGDAYLKWVVSRFLFLKYPQKHEGQLTRMRQQMVSNMVLYQFALVKGLQSYIQADRFAPSRWSAPGVPPVFDEDTKDGGSSFFDEEQKPVSEENSDVFEDGEMEDGELEGDLSSYRVLSSKTLADVVEALIGVYYVEGGKIAANHLMKWIGIHVEDDPDEVDGTLKNVNVPESVLKSIDFVGLERALKYEFKEKGLLVEAITHASRPSSGVSCYQRLEFVGDAVLDHLITRHLFFTYTSLPPGRLTDLRAAAVNNENFARVAVKHKLHLYLRHGSSALEKQIREFVKEVQTESSKPGFNSFGLGDCKAPKVLGDIVESIAGAIFLDSGKDTTAAWKVFQPLLQPMVTPETLPMHPVRELQERCQQQAEGLEYKASRSGNTATVEVFIDGVQVGVAQNPQKKMAQKLAARNALAALKEKEIAESKEKHINNGNAGEDQGENENGNKKNGHQPFTRQTLNDICLRKNWPMPSYRCVKEGGPAHAKRFTFGVRVNTSDRGWTDECIGEPMPSVKKAKDSAAVLLLELLNKTFS
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -4.8846
• Maximal score value: 3.0196
• Average score: -0.9857
• Total score value: -1881.6124

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	1.9730
2	V	A	2.1975
3	M	A	0.6449
4	E	A	-2.1542
5	D	A	-3.3573
6	E	A	-3.8130
7	P	A	-3.0900
8	R	A	-3.4885
9	E	A	-2.7364
10	A	A	-1.0186
11	T	A	-0.3029
12	I	A	0.8445
13	K	A	-0.7228
14	P	A	-0.0808
15	S	A	0.6609
16	Y	A	1.5823
17	W	A	1.9754
18	L	A	1.3555
19	D	A	-0.9520
20	A	A	0.1460
21	C	A	0.2100
22	E	A	-1.4233
23	D	A	-1.4464
24	I	A	0.9969
25	S	A	0.4356
26	C	A	0.8343
27	D	A	-0.5867
28	L	A	1.6766
29	I	A	1.9030
30	D	A	-0.6020
31	D	A	-1.0140
32	L	A	1.7558
33	V	A	1.7857
34	S	A	-0.1813
35	E	A	-0.9430
36	F	A	0.7366
37	D	A	-1.4318
38	P	A	-0.6318
39	S	A	-0.2614
40	S	A	0.3470
41	V	A	1.8826
42	A	A	1.1789
43	V	A	1.0706
44	N	A	-1.1189
45	E	A	-2.2557
46	S	A	-1.8426
47	T	A	-2.0476
48	D	A	-3.2519
49	E	A	-3.1923
50	N	A	-1.9807
51	G	A	-0.4864
52	V	A	1.3428
53	I	A	1.8455
54	N	A	0.0340
55	D	A	-0.3920
56	F	A	2.0945
57	F	A	1.8609
58	G	A	0.2186
59	G	A	0.8303
60	I	A	2.0847
61	D	A	-0.3085
62	H	A	-0.1777
63	I	A	1.8108
64	L	A	1.0131
65	D	A	-1.4315
66	S	A	-0.5408
67	I	A	0.6476
68	K	A	-1.6853
69	N	A	-2.2509
70	G	A	-1.4881
71	G	A	-1.1550
72	G	A	-0.3939
73	L	A	0.7637
74	P	A	-0.5601
75	N	A	-1.8141
76	N	A	-1.8188
77	G	A	-0.5908
78	V	A	0.7745
79	S	A	-0.3829
80	D	A	-1.9318
81	T	A	-1.6609
82	N	A	-2.1302
83	S	A	-1.0264
84	Q	A	-0.8753
85	I	A	0.3794
86	N	A	-1.1043
87	E	A	-1.1236
88	V	A	0.8988
89	T	A	1.1933
90	V	A	2.0211
91	T	A	0.3888
92	P	A	-0.1208
93	Q	A	-0.0514
94	V	A	1.9620
95	I	A	2.3159
96	A	A	0.2705
97	K	A	-2.0241
98	E	A	-2.4921
99	T	A	-1.1713
100	V	A	-0.0034
101	K	A	-2.3309
102	E	A	-3.0366
103	N	A	-2.4015
104	G	A	-1.4611
105	L	A	-0.0881
106	Q	A	-1.8824
107	K	A	-2.7456
108	N	A	-2.5224
109	G	A	-2.4654
110	G	A	-2.5795
111	K	A	-3.7087
112	R	A	-4.2803
113	D	A	-3.7018
114	E	A	-2.6037
115	F	A	-0.0644
116	S	A	-0.9435
117	K	A	-2.8705
118	E	A	-3.6891
119	E	A	-3.9984
120	G	A	-3.5593
121	D	A	-4.2234
122	K	A	-4.5333
123	D	A	-4.7530
124	R	A	-4.7654
125	K	A	-4.4290
126	R	A	-3.6636
127	A	A	-1.8202
128	R	A	-1.4684
129	V	A	1.1221
130	C	A	1.1599
131	S	A	0.6680
132	Y	A	0.7795
133	Q	A	-1.0949
134	S	A	-1.7601
135	E	A	-3.1793
136	R	A	-3.0770
137	S	A	-1.7460
138	N	A	-1.4346
139	L	A	0.4553
140	S	A	-0.4672
141	G	A	-1.3299
142	R	A	-2.6175
143	G	A	-1.7910
144	H	A	-1.1267
145	V	A	-0.0719
146	N	A	-1.9898
147	N	A	-2.9806
148	S	A	-3.0080
149	R	A	-3.5181
150	E	A	-3.3686
151	G	A	-3.2913
152	D	A	-3.1449
153	R	A	-1.6143
154	F	A	0.9313
155	M	A	0.6601
156	N	A	-1.9129
157	R	A	-3.6662
158	K	A	-4.1010
159	R	A	-3.8582
160	T	A	-2.8067
161	R	A	-2.8694
162	N	A	-2.1974
163	W	A	-1.2800
164	D	A	-2.4619
165	E	A	-2.5915
166	A	A	-1.8807
167	G	A	-1.7063
168	N	A	-2.5193
169	N	A	-3.2320
170	K	A	-3.8271
171	K	A	-4.0300
172	K	A	-4.2407
173	R	A	-4.0725
174	E	A	-3.1716
175	C	A	-1.4460
176	N	A	-2.0268
177	N	A	-1.7231
178	Y	A	-1.2396
179	R	A	-3.0028
180	R	A	-3.7027
181	D	A	-3.8855
182	G	A	-3.7071
183	R	A	-4.2157
184	D	A	-4.1900
185	R	A	-3.9822
186	E	A	-3.1061
187	V	A	-1.0333
188	R	A	-1.8657
189	G	A	-0.6867
190	Y	A	0.5132
191	W	A	1.0853
192	E	A	-0.9109
193	R	A	-2.5596
194	D	A	-2.0857
195	K	A	-2.2484
196	V	A	-0.1921
197	G	A	-1.1854
198	S	A	-1.6803
199	N	A	-2.8026
200	E	A	-2.2717
201	L	A	-0.1633
202	V	A	0.4543
203	Y	A	0.5781
204	R	A	-0.7349
205	S	A	-0.6446
206	G	A	-0.4433
207	T	A	-0.1262
208	W	A	0.2679
209	E	A	-1.3227
210	A	A	-2.0664
211	D	A	-3.2858
212	H	A	-3.3628
213	E	A	-3.9228
214	R	A	-3.7200
215	D	A	-3.2465
216	V	A	-1.1594
217	K	A	-2.4260
218	K	A	-2.1801
219	V	A	0.2635
220	S	A	-0.6433
221	G	A	-1.1723
222	G	A	-1.6880
223	N	A	-3.0066
224	R	A	-3.6608
225	E	A	-3.2870
226	C	A	-1.1352
227	D	A	-1.4756
228	V	A	0.2410
229	K	A	-1.5851
230	A	A	-1.8669
231	E	A	-3.3174
232	E	A	-3.7044
233	N	A	-3.4267
234	K	A	-3.2228
235	S	A	-2.1798
236	K	A	-2.6778
237	P	A	-2.8780
238	E	A	-3.8234
239	E	A	-4.3548
240	R	A	-4.8846
241	K	A	-4.3998
242	E	A	-3.5059
243	K	A	-2.2456
244	V	A	0.3177
245	V	A	0.2162
246	E	A	-2.0317
247	E	A	-2.5293
248	Q	A	-2.5058
249	A	A	-1.7397
250	R	A	-1.8891
251	R	A	-2.2671
252	Y	A	0.0000
253	Q	A	0.0000
254	L	A	-1.0802
255	D	A	-2.4383
256	V	A	0.0000
257	L	A	0.0000
258	E	A	-2.7443
259	Q	A	-2.0575
260	A	A	0.0000
261	K	A	-2.1507
262	A	A	-1.6045
263	K	A	-1.9006
264	N	A	-1.1946
265	T	A	0.0000
266	I	A	0.0000
267	A	A	0.0000
268	F	A	0.0583
269	L	A	0.0000
270	E	A	-0.3931
271	T	A	-0.5412
272	G	A	-1.0245
273	A	A	0.0000
274	G	A	-0.5409
275	K	A	-0.2341
276	T	A	0.0804
277	L	A	-0.1921
278	I	A	0.0000
279	A	A	0.0000
280	I	A	0.0000
281	L	A	0.1312
282	L	A	0.0000
283	I	A	0.0000
284	K	A	-1.2868
285	S	A	-1.3995
286	V	A	-1.2351
287	H	A	-1.9549
288	K	A	-2.8595
289	D	A	-2.9338
290	L	A	0.0000
291	M	A	-1.8685
292	S	A	-1.9626
293	Q	A	-2.8376
294	N	A	-2.9239
295	R	A	-3.2752
296	K	A	-2.6537
297	M	A	0.0000
298	L	A	0.0000
299	S	A	0.0000
300	V	A	0.0000
301	F	A	0.0000
302	L	A	0.0000
303	V	A	0.0000
304	P	A	-0.4791
305	K	A	-0.3691
306	V	A	0.0232
307	P	A	-0.1778
308	L	A	0.0000
309	V	A	0.0000
310	Y	A	0.0581
311	Q	A	-0.7279
312	Q	A	-0.8662
313	A	A	0.0000
314	E	A	-2.2343
315	V	A	-1.0203
316	I	A	0.0000
317	R	A	-2.2916
318	N	A	-2.1869
319	Q	A	-1.6544
320	T	A	0.0000
321	C	A	-0.1509
322	F	A	-0.7435
323	Q	A	-1.3663
324	V	A	0.0000
325	G	A	0.0000
326	H	A	-0.4000
327	Y	A	0.0000
328	C	A	0.0000
329	G	A	-1.6385
330	E	A	-2.0584
331	M	A	-0.8320
332	G	A	-0.6898
333	Q	A	0.0000
334	D	A	-1.4573
335	F	A	0.7739
336	W	A	-0.7325
337	D	A	-2.2696
338	S	A	-2.2243
339	R	A	-3.5623
340	R	A	-3.5012
341	W	A	0.0000
342	Q	A	-3.3611
343	R	A	-3.8396
344	E	A	-2.7089
345	F	A	-1.9612
346	E	A	-3.1326
347	S	A	-2.0740
348	K	A	-1.7935
349	Q	A	-1.2769
350	V	A	0.0000
351	L	A	0.0000
352	V	A	0.0000
353	M	A	0.0000
354	T	A	-0.3568
355	A	A	0.0000
356	Q	A	-1.0451
357	I	A	0.0000
358	L	A	0.0000
359	L	A	0.0000
360	N	A	-0.9120
361	I	A	0.0000
362	L	A	0.0000
363	R	A	-0.6616
364	H	A	-0.4258
365	S	A	-0.6871
366	I	A	-0.8958
367	I	A	0.0000
368	R	A	-2.1127
369	M	A	0.0000
370	E	A	-2.2959
371	T	A	-1.2266
372	I	A	0.0000
373	D	A	-0.7474
374	L	A	0.0000
375	L	A	0.0000
376	I	A	0.0000
377	L	A	0.0000
378	D	A	0.0000
379	E	A	-0.2955
380	C	A	0.0000
381	H	A	0.0000
382	H	A	-0.4117
383	A	A	0.0000
384	V	A	-0.3401
385	K	A	-1.6636
386	K	A	-1.7476
387	H	A	-1.0049
388	P	A	-0.7035
389	Y	A	0.0000
390	S	A	0.0000
391	L	A	-0.5303
392	V	A	0.0000
393	M	A	0.0000
394	S	A	-0.1603
395	E	A	0.0000
396	F	A	0.0000
397	Y	A	0.0000
398	H	A	-0.7501
399	T	A	-0.5773
400	T	A	-1.7065
401	P	A	-2.2669
402	K	A	-3.3129
403	D	A	-3.4396
404	K	A	-3.1169
405	R	A	-2.2995
406	P	A	0.0000
407	A	A	-0.7413
408	I	A	0.0000
409	F	A	0.0000
410	G	A	0.0000
411	M	A	0.0000
412	T	A	0.0000
413	A	A	0.0000
414	S	A	0.0000
415	P	A	0.0000
416	V	A	0.0000
417	N	A	-1.2018
418	L	A	0.0000
419	K	A	-2.0687
420	G	A	-0.7929
421	V	A	0.4912
422	S	A	0.2554
423	S	A	0.2231
424	Q	A	-0.3583
425	V	A	1.3584
426	D	A	0.3257
427	C	A	0.0000
428	A	A	-0.0138
429	I	A	0.5740
430	K	A	-0.7434
431	I	A	0.0000
432	R	A	-2.2758
433	N	A	-1.9427
434	L	A	0.0000
435	E	A	-1.5554
436	T	A	-1.6083
437	K	A	-1.1504
438	L	A	0.0000
439	D	A	-1.3226
440	S	A	0.0000
441	T	A	-0.8271
442	V	A	0.0000
443	C	A	0.0000
444	T	A	0.0000
445	I	A	0.0000
446	K	A	-3.2126
447	D	A	-3.4686
448	R	A	-3.2956
449	K	A	-3.8047
450	E	A	-3.3447
451	L	A	0.0000
452	E	A	-3.0013
453	K	A	-3.0411
454	H	A	-2.0637
455	V	A	0.0000
456	P	A	-0.9980
457	M	A	-0.3583
458	P	A	-0.2463
459	S	A	-0.2195
460	E	A	-0.0251
461	I	A	0.7895
462	V	A	0.8427
463	V	A	-0.2811
464	E	A	-2.4365
465	Y	A	0.0000
466	D	A	-2.7544
467	K	A	-2.8943
468	A	A	-1.0723
469	A	A	-0.3793
470	T	A	0.1387
471	M	A	0.5002
472	W	A	1.0664
473	S	A	0.2045
474	L	A	0.0834
475	H	A	-0.2911
476	E	A	-0.8289
477	T	A	-0.7516
478	I	A	0.0000
479	K	A	-2.0155
480	Q	A	-1.7842
481	M	A	0.0000
482	I	A	-1.4092
483	A	A	-1.2030
484	A	A	-1.2374
485	V	A	0.0000
486	E	A	-1.5724
487	E	A	-2.2940
488	A	A	-1.3050
489	A	A	-1.7365
490	Q	A	-2.1624
491	A	A	-1.7142
492	S	A	-2.0258
493	S	A	-2.3984
494	R	A	-2.1572
495	K	A	-2.6653
496	S	A	-2.2095
497	K	A	-2.2398
498	W	A	-2.2352
499	Q	A	-2.5806
500	F	A	-1.7359
501	M	A	-1.6698
502	G	A	-2.0914
503	A	A	0.0000
504	R	A	-3.2737
505	D	A	-2.9240
506	A	A	-2.0610
507	G	A	-2.4039
508	A	A	-2.2649
509	K	A	-3.4833
510	D	A	-3.3184
511	E	A	-3.5949
512	L	A	-2.6518
513	R	A	-3.0613
514	Q	A	-2.4543
515	V	A	-1.1885
516	Y	A	-0.1676
517	G	A	-0.6908
518	V	A	-0.2587
519	S	A	-1.1114
520	E	A	-2.6729
521	R	A	-3.2649
522	T	A	-2.0262
523	E	A	-2.0455
524	S	A	-2.6513
525	D	A	-3.0849
526	G	A	0.0000
527	A	A	0.0000
528	A	A	-1.7429
529	N	A	-2.2155
530	L	A	0.0000
531	I	A	-1.4869
532	H	A	-1.9956
533	K	A	-1.3405
534	L	A	0.0000
535	R	A	-2.4131
536	A	A	0.0000
537	I	A	0.0000
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731	S	A	-0.7737
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1400	K	A	-1.8338
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1500	K	A	-1.1680
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1515	V	A	-0.0560
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1523	N	A	-1.2662
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1790	A	A	0.0000
1791	L	A	0.0000
1792	A	A	-1.6508
1793	A	A	-1.6133
1794	L	A	0.0000
1795	K	A	-2.5442
1796	E	A	-2.8699
1797	K	A	-3.0158
1798	E	A	-2.1076
1799	I	A	-0.9033
1800	A	A	-2.2063
1801	E	A	-2.8168
1802	S	A	-2.7316
1803	K	A	-3.2631
1804	E	A	-3.6477
1805	K	A	-4.1537
1806	H	A	-3.0678
1807	I	A	-1.3869
1808	N	A	-2.8567
1809	N	A	-2.6707
1810	G	A	-1.8591
1811	N	A	-2.1051
1812	A	A	-1.8540
1813	G	A	-2.2922
1814	E	A	-3.3765
1815	D	A	-3.4874
1816	Q	A	-3.2554
1817	G	A	-3.0265
1818	E	A	-3.4902
1819	N	A	-3.6513
1820	E	A	-3.8157
1821	N	A	-3.4148
1822	G	A	-3.0099
1823	N	A	-3.4290
1824	K	A	-3.8213
1825	K	A	-3.7322
1826	N	A	-3.2161
1827	G	A	-3.0872
1828	H	A	-2.2997
1829	Q	A	-1.3762
1830	P	A	-0.5006
1831	F	A	0.7082
1832	T	A	0.0000
1833	R	A	-1.1841
1834	Q	A	-1.2190
1835	T	A	-0.5175
1836	L	A	0.0000
1837	N	A	-0.9796
1838	D	A	-1.4836
1839	I	A	-1.0864
1840	C	A	0.0000
1841	L	A	-0.4976
1842	R	A	-2.3553
1843	K	A	-2.6385
1844	N	A	-2.0667
1845	W	A	0.0000
1846	P	A	-0.2740
1847	M	A	0.2595
1848	P	A	-0.3662
1849	S	A	-0.5892
1850	Y	A	-0.5982
1851	R	A	-1.6606
1852	C	A	-0.8771
1853	V	A	-0.4326
1854	K	A	-2.4152
1855	E	A	-2.5252
1856	G	A	-2.2506
1857	G	A	-1.7617
1858	P	A	-1.1521
1859	A	A	-0.7865
1860	H	A	-1.3979
1861	A	A	-1.3339
1862	K	A	-2.0230
1863	R	A	-3.2718
1864	F	A	-2.3770
1865	T	A	-1.6779
1866	F	A	0.0000
1867	G	A	0.0000
1868	V	A	0.0000
1869	R	A	-1.4083
1870	V	A	0.0000
1871	N	A	-1.0946
1872	T	A	0.0000
1873	S	A	-2.0643
1874	D	A	-2.7456
1875	R	A	-2.6639
1876	G	A	-1.4201
1877	W	A	-0.7037
1878	T	A	-1.2484
1879	D	A	-1.8874
1880	E	A	-1.3412
1881	C	A	0.1199
1882	I	A	0.7619
1883	G	A	0.0000
1884	E	A	-1.9379
1885	P	A	-2.0267
1886	M	A	-1.9731
1887	P	A	-1.9903
1888	S	A	-1.6155
1889	V	A	-1.6161
1890	K	A	-2.4765
1891	K	A	-2.8723
1892	A	A	0.0000
1893	K	A	-1.6224
1894	D	A	-1.7666
1895	S	A	-1.1526
1896	A	A	0.0000
1897	A	A	0.0000
1898	V	A	0.2204
1899	L	A	0.5582
1900	L	A	0.0000
1901	L	A	0.0000
1902	E	A	-0.8209
1903	L	A	-0.6441
1904	L	A	0.0000
1905	N	A	-1.8395
1906	K	A	-2.1144
1907	T	A	-0.8327
1908	F	A	-0.1240
1909	S	A	-0.6789