Project name: 4fa04eb70a1c298

Chain sequence(s)	A: MAMSSGGSGGGVPEQEDSVLFRRGTGQSDDSDIWDDTALIKAYDKAVASFKHALKNGDICETSGKPKTTPKRKPAKKNKSQKKNTAASLQQWKVGDKCSAIWSEDGCIYPATIASIDFKRETCVVVYTGYGNREEQNLSDLLSPICEVANNIEQNAQENENESQVSTDESENSRSPGNKSDNIKPKSAPWNSFLPPPPPMPGPRLGPGKPGLKFNGPPPPPPPPPPHLLSCWLPPFPSGPPIIPPPPPICPDSLDDADALGSMLISWYMSGYHTGYYMGFRQNQKEGRCSHSLN
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                                          (00:03:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)

• Minimal score value: -4.6974
• Maximal score value: 2.6547
• Average score: -0.8429
• Total score value: -247.8059

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	1.3191
2	A	A	1.1345
3	M	A	1.1459
4	S	A	0.1864
5	S	A	-0.4329
6	G	A	-0.8951
7	G	A	-0.9957
8	S	A	-0.9122
9	G	A	-1.0541
10	G	A	-0.7039
11	G	A	-0.1767
12	V	A	0.7051
13	P	A	-0.8615
14	E	A	-2.7268
15	Q	A	-3.4197
16	E	A	-3.6451
17	D	A	-2.7768
18	S	A	-0.5306
19	V	A	1.1799
20	L	A	2.1184
21	F	A	1.5480
22	R	A	-1.3138
23	R	A	-2.3561
24	G	A	-2.0063
25	T	A	-1.5488
26	G	A	-1.7894
27	Q	A	-2.3738
28	S	A	-2.7387
29	D	A	-3.4242
30	D	A	-3.1960
31	S	A	-2.2470
32	D	A	-2.2783
33	I	A	0.5758
34	W	A	0.3922
35	D	A	-1.3030
36	D	A	-1.4906
37	T	A	-0.7376
38	A	A	-0.5516
39	L	A	0.4881
40	I	A	0.5404
41	K	A	-1.2899
42	A	A	-0.1201
43	Y	A	0.6609
44	D	A	-1.2267
45	K	A	-1.6722
46	A	A	-0.0427
47	V	A	0.6667
48	A	A	-0.4307
49	S	A	0.1228
50	F	A	1.2751
51	K	A	-1.1158
52	H	A	-1.5549
53	A	A	-0.6068
54	L	A	-0.2400
55	K	A	-2.4988
56	N	A	-2.6400
57	G	A	-1.5356
58	D	A	-1.5649
59	I	A	1.0485
60	C	A	0.1464
61	E	A	-1.2932
62	T	A	-0.9305
63	S	A	-1.3716
64	G	A	-1.9410
65	K	A	-2.5831
66	P	A	-2.1020
67	K	A	-2.4255
68	T	A	-1.2957
69	T	A	-1.0410
70	P	A	-1.7321
71	K	A	-3.1503
72	R	A	-3.6543
73	K	A	-3.0783
74	P	A	-2.0103
75	A	A	-1.9965
76	K	A	-3.0905
77	K	A	-3.7123
78	N	A	-3.5883
79	K	A	-3.6604
80	S	A	-2.9865
81	Q	A	-3.5038
82	K	A	-3.7404
83	K	A	-3.5924
84	N	A	-2.6948
85	T	A	-1.5071
86	A	A	-0.3499
87	A	A	0.0244
88	S	A	0.0553
89	L	A	0.5343
90	Q	A	-1.2527
91	Q	A	-1.8246
92	W	A	0.0000
93	K	A	-1.6443
94	V	A	0.5159
95	G	A	-0.5517
96	D	A	-1.4382
97	K	A	-1.6186
98	C	A	0.0000
99	S	A	0.0000
100	A	A	0.0000
101	I	A	0.4456
102	W	A	-0.6576
103	S	A	-1.5001
104	E	A	-2.7066
105	D	A	-2.4842
106	G	A	-1.1296
107	C	A	0.2584
108	I	A	1.7361
109	Y	A	1.3339
110	P	A	0.4860
111	A	A	0.0000
112	T	A	-0.8817
113	I	A	0.0000
114	A	A	-0.2036
115	S	A	0.3091
116	I	A	-0.3694
117	D	A	-1.1591
118	F	A	-0.2757
119	K	A	-2.3377
120	R	A	-3.1408
121	E	A	-2.7763
122	T	A	-2.1503
123	C	A	0.0000
124	V	A	-0.4264
125	V	A	0.0000
126	V	A	-0.9636
127	Y	A	0.0000
128	T	A	-0.3656
129	G	A	0.0214
130	Y	A	0.5378
131	G	A	-0.5109
132	N	A	-1.3929
133	R	A	-2.2926
134	E	A	-1.8258
135	E	A	-1.8851
136	Q	A	-1.7230
137	N	A	-2.2247
138	L	A	-1.4715
139	S	A	-1.4566
140	D	A	-1.8435
141	L	A	0.0000
142	L	A	0.1296
143	S	A	-0.2521
144	P	A	-0.0290
145	I	A	1.1855
146	C	A	0.5720
147	E	A	-0.5769
148	V	A	0.7211
149	A	A	0.0041
150	N	A	-1.4899
151	N	A	-1.3370
152	I	A	0.0013
153	E	A	-2.1561
154	Q	A	-2.8366
155	N	A	-2.9016
156	A	A	-2.5419
157	Q	A	-3.6482
158	E	A	-4.3190
159	N	A	-4.3429
160	E	A	-4.2217
161	N	A	-4.0012
162	E	A	-3.3197
163	S	A	-2.0249
164	Q	A	-1.1533
165	V	A	0.8235
166	S	A	-0.0924
167	T	A	-1.0475
168	D	A	-2.7829
169	E	A	-3.1923
170	S	A	-2.7624
171	E	A	-3.0053
172	N	A	-2.7181
173	S	A	-2.2713
174	R	A	-2.3832
175	S	A	-1.4254
176	P	A	-1.2554
177	G	A	-1.7543
178	N	A	-2.4596
179	K	A	-2.9160
180	S	A	-2.6293
181	D	A	-2.4807
182	N	A	-1.6313
183	I	A	-0.1090
184	K	A	-1.5947
185	P	A	-1.6074
186	K	A	-2.1166
187	S	A	-1.1863
188	A	A	-0.5551
189	P	A	-0.3708
190	W	A	0.9035
191	N	A	-0.0018
192	S	A	0.7315
193	F	A	2.2133
194	L	A	1.7425
195	P	A	0.4368
196	P	A	-0.0490
197	P	A	-0.2864
198	P	A	-0.3554
199	P	A	-0.0695
200	M	A	0.5902
201	P	A	-0.3041
202	G	A	-0.5442
203	P	A	-0.8606
204	R	A	-1.4694
205	L	A	0.1812
206	G	A	-0.4543
207	P	A	-0.9750
208	G	A	-1.4156
209	K	A	-2.0601
210	P	A	-1.3080
211	G	A	-0.4434
212	L	A	0.5908
213	K	A	-0.4926
214	F	A	0.6588
215	N	A	-0.8984
216	G	A	-0.9538
217	P	A	-0.7591
218	P	A	-0.8660
219	P	A	-0.7231
220	P	A	-0.6874
221	P	A	-0.6883
222	P	A	-0.6947
223	P	A	-0.6953
224	P	A	-0.7962
225	P	A	-0.6103
226	P	A	-0.2973
227	H	A	0.0094
228	L	A	1.7928
229	L	A	2.1878
230	S	A	1.6981
231	C	A	2.2729
232	W	A	2.4181
233	L	A	2.4956
234	P	A	1.4897
235	P	A	1.1085
236	F	A	1.7817
237	P	A	0.3184
238	S	A	-0.1804
239	G	A	-0.1329
240	P	A	0.0014
241	P	A	0.9192
242	I	A	2.2816
243	I	A	2.2454
244	P	A	0.9302
245	P	A	0.1520
246	P	A	0.1584
247	P	A	0.2140
248	P	A	0.3340
249	I	A	1.1437
250	C	A	0.6158
251	P	A	-0.4029
252	D	A	-1.7268
253	S	A	-1.2295
254	L	A	-0.4992
255	D	A	-2.3330
256	D	A	-2.7028
257	A	A	-1.5775
258	D	A	-2.2676
259	A	A	-1.2014
260	L	A	-0.0367
261	G	A	-0.3125
262	S	A	0.1497
263	M	A	1.0442
264	L	A	1.5882
265	I	A	2.4889
266	S	A	1.6060
267	W	A	1.7449
268	Y	A	2.6547
269	M	A	1.9530
270	S	A	1.1576
271	G	A	1.8547
272	Y	A	2.1091
273	H	A	0.9707
274	T	A	1.3849
275	G	A	1.4077
276	Y	A	1.6344
277	Y	A	1.3798
278	M	A	0.5071
279	G	A	-0.2467
280	F	A	-0.2468
281	R	A	-2.6610
282	Q	A	-3.3542
283	N	A	-3.9201
284	Q	A	-4.0326
285	K	A	-4.6974
286	E	A	-4.6256
287	G	A	-3.6013
288	R	A	-3.6284
289	C	A	-1.7653
290	S	A	-1.6237
291	H	A	-1.5676
292	S	A	-0.4580
293	L	A	0.5914
294	N	A	-0.7670