Project name: f5263220f1e2305

Chain sequence(s)	A: MSSSSPSLLSSRLLSPAILFTKKPASLRSISSATARHGVRVVVAAASAAAASPVSAARVRPSAAEVARTVVELAASGTLSMVGPDGWPLGVGAHFVADSAGAPALCLSAARVAAPDAPASFHVEFRQSGARTPQCTMLGALTKPSDESVLKKLSTRWQKKFGEEIDQDLLYLISVDRILHMEDFNEAGHSTYNYLVIMSGLLMDGMWVVPSDYTSAEPDPLRNFAENIVEEFNNKNAEDVRRIYNIYVESDLQVADVKMIWVDRLGFDLHAHSAEGVLAVRVPFPREVSDEKGVKSSFNMMSHHAWEVEKSYASPEFEKVQFLKKVR
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                                          (00:04:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:29)

• Minimal score value: -3.839
• Maximal score value: 3.8184
• Average score: -0.611
• Total score value: -199.7872

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	0.9071
2	S	A	0.1467
3	S	A	-0.2992
4	S	A	-0.5684
5	S	A	-0.3883
6	P	A	-0.1815
7	S	A	0.6773
8	L	A	2.1320
9	L	A	2.1611
10	S	A	0.4693
11	S	A	-0.5749
12	R	A	-0.9102
13	L	A	1.3128
14	L	A	1.7407
15	S	A	0.9898
16	P	A	0.4510
17	A	A	1.4071
18	I	A	3.1968
19	L	A	3.4519
20	F	A	2.7878
21	T	A	0.2434
22	K	A	-2.1881
23	K	A	-2.6889
24	P	A	-1.6123
25	A	A	-0.3848
26	S	A	-0.0209
27	L	A	0.4749
28	R	A	-0.7861
29	S	A	0.2210
30	I	A	1.3754
31	S	A	0.6312
32	S	A	0.1034
33	A	A	-0.1141
34	T	A	-0.4442
35	A	A	-1.1493
36	R	A	-2.2367
37	H	A	-1.9475
38	G	A	-0.8762
39	V	A	0.9415
40	R	A	0.4108
41	V	A	2.6693
42	V	A	3.1980
43	V	A	2.9365
44	A	A	1.7122
45	A	A	0.8069
46	A	A	0.2815
47	S	A	-0.1051
48	A	A	0.0352
49	A	A	0.0446
50	A	A	0.0052
51	A	A	0.2896
52	S	A	0.1719
53	P	A	0.4788
54	V	A	1.5284
55	S	A	0.3210
56	A	A	0.0663
57	A	A	-0.9175
58	R	A	-2.1322
59	V	A	-1.2988
60	R	A	-1.5500
61	P	A	-0.8786
62	S	A	-0.7707
63	A	A	-0.0214
64	A	A	0.0000
65	E	A	0.0000
66	V	A	-0.4549
67	A	A	0.0000
68	R	A	0.0000
69	T	A	0.0000
70	V	A	0.0000
71	V	A	0.0000
72	E	A	-0.9724
73	L	A	-0.7699
74	A	A	0.0000
75	A	A	-0.5347
76	S	A	-0.8911
77	G	A	-0.9188
78	T	A	-0.6577
79	L	A	0.0000
80	S	A	0.2203
81	M	A	0.0000
82	V	A	1.5938
83	G	A	0.2736
84	P	A	-0.6293
85	D	A	-1.5328
86	G	A	-0.3115
87	W	A	0.9575
88	P	A	0.8511
89	L	A	1.0914
90	G	A	0.0552
91	V	A	0.1612
92	G	A	-0.6106
93	A	A	0.0000
94	H	A	-0.9551
95	F	A	0.0000
96	V	A	0.0000
97	A	A	0.0000
98	D	A	-0.8570
99	S	A	-0.8028
100	A	A	-0.5628
101	G	A	0.0000
102	A	A	-0.0875
103	P	A	0.0000
104	A	A	0.0000
105	L	A	0.0000
106	C	A	-0.4009
107	L	A	-0.4287
108	S	A	-0.6290
109	A	A	-0.4785
110	A	A	-0.8659
111	R	A	-1.7306
112	V	A	-0.3829
113	A	A	-0.5051
114	A	A	-0.6752
115	P	A	-1.4610
116	D	A	-2.1375
117	A	A	-0.7773
118	P	A	-0.3546
119	A	A	0.0000
120	S	A	0.0479
121	F	A	0.0000
122	H	A	-0.7349
123	V	A	0.0000
124	E	A	-1.9656
125	F	A	-1.6028
126	R	A	-2.3064
127	Q	A	0.0000
128	S	A	-1.5159
129	G	A	-0.9807
130	A	A	-0.5803
131	R	A	-0.8393
132	T	A	-1.2576
133	P	A	0.0000
134	Q	A	0.0000
135	C	A	0.0000
136	T	A	-0.2777
137	M	A	0.0000
138	L	A	-0.4277
139	G	A	-0.9507
140	A	A	-1.0302
141	L	A	0.0000
142	T	A	-1.1643
143	K	A	-1.7627
144	P	A	0.0000
145	S	A	-1.5063
146	D	A	-2.5328
147	E	A	-3.1045
148	S	A	-2.1412
149	V	A	-1.6695
150	L	A	-2.6907
151	K	A	-3.1841
152	K	A	-2.8840
153	L	A	0.0000
154	S	A	-2.8046
155	T	A	-2.7700
156	R	A	-2.8147
157	W	A	0.0000
158	Q	A	-3.3678
159	K	A	-3.2317
160	K	A	-1.9961
161	F	A	-1.6950
162	G	A	-2.3733
163	E	A	-3.1698
164	E	A	-3.4818
165	I	A	-2.4692
166	D	A	-2.9072
167	Q	A	-2.7762
168	D	A	-2.4779
169	L	A	-1.1737
170	L	A	0.0000
171	Y	A	-0.2962
172	L	A	-0.2478
173	I	A	0.0000
174	S	A	-0.8757
175	V	A	-0.8533
176	D	A	-1.9771
177	R	A	-1.3870
178	I	A	0.0000
179	L	A	0.7772
180	H	A	0.0000
181	M	A	0.0000
182	E	A	-1.3754
183	D	A	0.0000
184	F	A	0.6922
185	N	A	-0.5696
186	E	A	-1.5526
187	A	A	-0.5625
188	G	A	-1.8154
189	H	A	-1.8549
190	S	A	-0.6924
191	T	A	0.0053
192	Y	A	1.1708
193	N	A	0.9502
194	Y	A	2.6298
195	L	A	3.0871
196	V	A	3.1698
197	I	A	3.8184
198	M	A	2.8716
199	S	A	1.8627
200	G	A	1.6467
201	L	A	2.5500
202	L	A	2.4926
203	M	A	1.0754
204	D	A	-0.9444
205	G	A	-0.0284
206	M	A	0.9477
207	W	A	1.2020
208	V	A	0.0000
209	V	A	0.8813
210	P	A	-0.5766
211	S	A	-0.9796
212	D	A	-1.6318
213	Y	A	0.0000
214	T	A	-0.8628
215	S	A	-1.3621
216	A	A	-1.5424
217	E	A	-2.1762
218	P	A	-1.0852
219	D	A	0.0000
220	P	A	-1.0687
221	L	A	0.0000
222	R	A	-1.2845
223	N	A	-1.5658
224	F	A	-0.9503
225	A	A	0.0000
226	E	A	-2.2831
227	N	A	-2.7314
228	I	A	0.0000
229	V	A	0.0000
230	E	A	-3.8390
231	E	A	-3.5192
232	F	A	0.0000
233	N	A	-3.0427
234	N	A	-3.4214
235	K	A	-3.4181
236	N	A	-2.9335
237	A	A	-2.6646
238	E	A	-3.0581
239	D	A	-2.3326
240	V	A	0.0000
241	R	A	-2.4936
242	R	A	-2.0551
243	I	A	0.0000
244	Y	A	0.0000
245	N	A	-2.4111
246	I	A	-1.1723
247	Y	A	-1.1603
248	V	A	0.0000
249	E	A	-2.4685
250	S	A	-1.8586
251	D	A	-2.3344
252	L	A	-1.5890
253	Q	A	-1.8783
254	V	A	0.0000
255	A	A	-0.7917
256	D	A	-1.5539
257	V	A	0.0000
258	K	A	-1.6926
259	M	A	0.0000
260	I	A	0.0000
261	W	A	0.0000
262	V	A	0.0000
263	D	A	0.0000
264	R	A	-1.4958
265	L	A	-1.5904
266	G	A	0.0000
267	F	A	0.0000
268	D	A	0.0000
269	L	A	0.0000
270	H	A	0.0000
271	A	A	0.0000
272	H	A	-1.0900
273	S	A	-1.1224
274	A	A	-1.0569
275	E	A	-2.1465
276	G	A	-1.7114
277	V	A	-1.2697
278	L	A	-0.8357
279	A	A	-0.3274
280	V	A	0.0000
281	R	A	0.0000
282	V	A	0.0000
283	P	A	-0.9203
284	F	A	0.0000
285	P	A	-1.3133
286	R	A	-2.8088
287	E	A	-3.1053
288	V	A	0.0000
289	S	A	-1.5968
290	D	A	-2.2673
291	E	A	-2.2265
292	K	A	-2.6183
293	G	A	-2.3919
294	V	A	0.0000
295	K	A	-1.8250
296	S	A	-1.2994
297	S	A	0.0000
298	F	A	0.0000
299	N	A	-1.5214
300	M	A	-0.3387
301	M	A	0.0000
302	S	A	-1.1845
303	H	A	-1.3250
304	H	A	-1.0179
305	A	A	0.0000
306	W	A	-0.8481
307	E	A	-1.1269
308	V	A	-1.3167
309	E	A	-2.4507
310	K	A	-1.8057
311	S	A	-0.7978
312	Y	A	0.3782
313	A	A	-0.4020
314	S	A	-0.9114
315	P	A	-1.6248
316	E	A	-2.2054
317	F	A	-1.5967
318	E	A	-2.6679
319	K	A	-2.2812
320	V	A	-0.8641
321	Q	A	-1.0628
322	F	A	1.0070
323	L	A	0.2707
324	K	A	-1.0930
325	K	A	-2.5032
326	V	A	0.0000
327	R	A	-2.4766