Project name: 403f569b569f792

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKSSSSSSSSSMKKDDKIAAAIVLRGMAKDGKFAVKSSSSSSSSSYNMPVNIAAAIVLRGMAKDGQFFAISSSSSSSSSMKKDAQIAAAIVLRGMAKDGKFAVKSSSSSSSSSMKKNDQIAAAIVLRGLAKDGKFAAASSSSSSSSSMEKDTQIAAAIVLRGMAKNGKFAVKSSSSSSSSSITRNDEIAAAIVLRGMAKGGRFFASSSSSSSSSSKKKNDKIAAAIVLRGMAKGGKFALGSSSSSSSSSMKKDDQIAAAMVLRGMAKGGQFALKSSSSSSSSSMKKDDQIAAAMVLRGMAKDGQFVLKSSSSSSSSSAKKDAVIAAGIALRAMAKDGKFAAK
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:57)

• Minimal score value: -4.3708
• Maximal score value: 3.1012
• Average score: -0.5673
• Total score value: -212.1732

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	0.6253
2	G	A	-0.3783
3	S	A	-0.7477
4	H	A	-1.6704
5	H	A	-1.7842
6	H	A	-1.2330
7	H	A	-2.2871
8	H	A	-3.3126
9	H	A	-3.1378
10	M	A	-3.1665
11	K	A	-4.2226
12	K	A	-4.3708
13	D	A	-4.3370
14	D	A	-4.2444
15	Q	A	-2.9788
16	I	A	-1.6156
17	A	A	0.0000
18	A	A	0.2350
19	A	A	0.0000
20	I	A	0.3280
21	A	A	0.0000
22	L	A	1.1066
23	R	A	-0.0502
24	G	A	0.0000
25	M	A	0.3098
26	A	A	-0.1979
27	K	A	-0.8295
28	D	A	-0.8048
29	G	A	-0.9514
30	K	A	-1.2309
31	F	A	0.5041
32	A	A	-0.3462
33	V	A	-1.0395
34	K	A	-1.8247
35	S	A	-1.0276
36	S	A	0.0000
37	S	A	-0.8090
38	S	A	-0.6709
39	S	A	0.0000
40	S	A	0.0000
41	S	A	-0.9769
42	S	A	-1.2101
43	S	A	0.0000
44	M	A	-2.2247
45	K	A	-3.1616
46	K	A	-3.1067
47	D	A	-2.8234
48	D	A	-3.5139
49	K	A	-2.7373
50	I	A	-1.2371
51	A	A	-0.2944
52	A	A	0.2778
53	A	A	0.0000
54	I	A	0.0000
55	V	A	0.7549
56	L	A	0.5940
57	R	A	0.0000
58	G	A	0.0115
59	M	A	0.5029
60	A	A	0.0000
61	K	A	-0.8177
62	D	A	-0.9817
63	G	A	-0.5281
64	K	A	-0.8432
65	F	A	0.9095
66	A	A	0.2255
67	V	A	0.6847
68	K	A	-1.0553
69	S	A	-0.5557
70	S	A	-0.2120
71	S	A	-0.7704
72	S	A	-0.9827
73	S	A	0.0537
74	S	A	0.1482
75	S	A	-0.4600
76	S	A	-0.5172
77	S	A	0.0000
78	Y	A	0.5800
79	N	A	-0.3710
80	M	A	0.2706
81	P	A	1.0866
82	V	A	1.7813
83	N	A	1.1199
84	I	A	2.2836
85	A	A	1.3316
86	A	A	1.0645
87	A	A	0.9242
88	I	A	1.4087
89	V	A	1.2486
90	L	A	0.8380
91	R	A	-1.1598
92	G	A	-0.6736
93	M	A	0.1623
94	A	A	-0.5394
95	K	A	-1.7657
96	D	A	-1.6637
97	G	A	-1.3351
98	Q	A	-0.1430
99	F	A	2.0981
100	F	A	3.1012
101	A	A	2.0830
102	I	A	2.4280
103	S	A	0.8731
104	S	A	0.6394
105	S	A	0.6605
106	S	A	-0.0362
107	S	A	-0.2426
108	S	A	0.0000
109	S	A	-0.7105
110	S	A	-1.0167
111	S	A	-1.3405
112	M	A	-1.3952
113	K	A	-2.4158
114	K	A	-2.6740
115	D	A	-2.7952
116	A	A	-2.0040
117	Q	A	-1.8876
118	I	A	-0.8996
119	A	A	-0.3680
120	A	A	0.3358
121	A	A	0.0000
122	I	A	0.0000
123	V	A	0.0000
124	L	A	0.7892
125	R	A	0.1959
126	G	A	0.0000
127	M	A	0.5169
128	A	A	0.0000
129	K	A	0.5633
130	D	A	0.2960
131	G	A	0.0000
132	K	A	1.5218
133	F	A	1.6121
134	A	A	0.3280
135	V	A	-0.2315
136	K	A	-1.4405
137	S	A	-0.8046
138	S	A	0.0000
139	S	A	-0.7692
140	S	A	-0.5606
141	S	A	0.0000
142	S	A	0.0000
143	S	A	-0.5888
144	S	A	-0.9556
145	S	A	0.0000
146	M	A	-0.6411
147	K	A	-2.3307
148	K	A	-2.4309
149	N	A	-2.7546
150	D	A	-2.7607
151	Q	A	-1.3831
152	I	A	0.1465
153	A	A	0.2799
154	A	A	0.6151
155	A	A	0.0000
156	I	A	0.5069
157	V	A	0.5500
158	L	A	0.6453
159	R	A	0.0000
160	G	A	0.0000
161	L	A	0.6586
162	A	A	-0.2012
163	K	A	-0.4393
164	D	A	-0.1800
165	G	A	-0.1078
166	K	A	-0.6671
167	F	A	0.8929
168	A	A	0.2273
169	A	A	0.0129
170	A	A	0.1010
171	S	A	-0.1225
172	S	A	-0.0856
173	S	A	-0.3272
174	S	A	-0.3227
175	S	A	-0.2345
176	S	A	-0.2593
177	S	A	-1.0346
178	S	A	-1.3584
179	S	A	0.0000
180	M	A	-1.5639
181	E	A	-2.9151
182	K	A	-2.7136
183	D	A	-1.8190
184	T	A	-1.3756
185	Q	A	-1.3439
186	I	A	-0.3512
187	A	A	-0.4542
188	A	A	0.1760
189	A	A	0.0000
190	I	A	0.0000
191	V	A	0.7376
192	L	A	0.6595
193	R	A	0.0554
194	G	A	0.0000
195	M	A	0.5525
196	A	A	-0.0884
197	K	A	-0.6808
198	N	A	-0.5725
199	G	A	-0.5825
200	K	A	-0.8726
201	F	A	0.5173
202	A	A	-0.4919
203	V	A	0.0000
204	K	A	-2.0152
205	S	A	-0.9439
206	S	A	0.0000
207	S	A	-1.2922
208	S	A	-0.8376
209	S	A	0.0000
210	S	A	0.0000
211	S	A	-0.7181
212	S	A	-0.9270
213	S	A	0.0000
214	I	A	-1.4493
215	T	A	-1.8530
216	R	A	-2.7682
217	N	A	-2.5048
218	D	A	-3.0247
219	E	A	-2.3946
220	I	A	-0.4811
221	A	A	-0.6249
222	A	A	0.3363
223	A	A	0.0000
224	I	A	-0.0497
225	V	A	0.0000
226	L	A	0.1139
227	R	A	-0.7718
228	G	A	-0.7010
229	M	A	-0.0802
230	A	A	0.0000
231	K	A	-0.7370
232	G	A	0.1270
233	G	A	-0.0667
234	R	A	-0.4764
235	F	A	1.8821
236	F	A	2.0833
237	A	A	0.8281
238	S	A	0.3394
239	S	A	0.2718
240	S	A	0.0000
241	S	A	-0.5032
242	S	A	-0.5359
243	S	A	-0.7443
244	S	A	-0.6903
245	S	A	-1.3887
246	S	A	-1.6782
247	S	A	0.0000
248	K	A	-2.7739
249	K	A	-3.5111
250	K	A	-3.3503
251	N	A	-2.6550
252	D	A	-3.3908
253	K	A	-3.1244
254	I	A	-1.3395
255	A	A	-0.8923
256	A	A	-0.0114
257	A	A	0.0000
258	I	A	0.0000
259	V	A	0.5369
260	L	A	0.5445
261	R	A	-0.1722
262	G	A	-0.1365
263	M	A	0.5675
264	A	A	-0.1872
265	K	A	-0.6140
266	G	A	-0.2793
267	G	A	-0.7091
268	K	A	-1.0395
269	F	A	0.7387
270	A	A	0.1764
271	L	A	-0.1204
272	G	A	-0.2811
273	S	A	-0.2743
274	S	A	0.0000
275	S	A	-0.4466
276	S	A	-0.4280
277	S	A	0.0000
278	S	A	-0.3447
279	S	A	-0.9269
280	S	A	-1.3937
281	S	A	0.0000
282	M	A	-1.7190
283	K	A	-2.7525
284	K	A	-2.4866
285	D	A	-2.4335
286	D	A	-2.8376
287	Q	A	-2.4007
288	I	A	-1.1145
289	A	A	0.0000
290	A	A	0.0459
291	A	A	0.0000
292	M	A	-0.2146
293	V	A	0.0000
294	L	A	0.4792
295	R	A	-0.3972
296	G	A	0.0000
297	M	A	0.1995
298	A	A	-0.0149
299	K	A	-0.6243
300	G	A	-0.2365
301	G	A	-0.1709
302	Q	A	-0.0071
303	F	A	1.2023
304	A	A	0.0471
305	L	A	-0.5182
306	K	A	-1.5582
307	S	A	-0.8520
308	S	A	0.0000
309	S	A	-0.9071
310	S	A	-0.7105
311	S	A	-0.6144
312	S	A	0.0000
313	S	A	-0.9452
314	S	A	-1.2638
315	S	A	0.0000
316	M	A	-2.0044
317	K	A	-2.9247
318	K	A	-3.0713
319	D	A	-2.8245
320	D	A	-3.0918
321	Q	A	-2.5720
322	I	A	-1.4218
323	A	A	0.0000
324	A	A	-0.4802
325	A	A	0.0000
326	M	A	0.0000
327	V	A	0.0736
328	L	A	0.3416
329	R	A	-0.1022
330	G	A	0.0000
331	M	A	0.5344
332	A	A	-0.0829
333	K	A	-0.0477
334	D	A	-0.1153
335	G	A	-0.0807
336	Q	A	0.4006
337	F	A	1.8295
338	V	A	1.5119
339	L	A	-0.1918
340	K	A	-1.4342
341	S	A	-0.4996
342	S	A	0.0000
343	S	A	-1.2959
344	S	A	-0.7394
345	S	A	0.0000
346	S	A	0.0000
347	S	A	-0.9923
348	S	A	-1.1154
349	S	A	0.0000
350	A	A	-1.6032
351	K	A	-2.2111
352	K	A	-1.8101
353	D	A	-1.2093
354	A	A	0.0000
355	V	A	1.1055
356	I	A	2.3987
357	A	A	1.1140
358	A	A	0.0000
359	G	A	0.1377
360	I	A	1.1095
361	A	A	0.0000
362	L	A	0.0000
363	R	A	-1.6607
364	A	A	-1.4240
365	M	A	-1.2192
366	A	A	-1.8949
367	K	A	-2.4707
368	D	A	-2.4539
369	G	A	-1.7914
370	K	A	-2.5217
371	F	A	-1.8491
372	A	A	-1.4600
373	A	A	-1.4619
374	K	A	-1.8957