Project name: 3-g4s-5r3

Chain sequence(s)	A: FSRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGWDINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFLTSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSALLDPSQGMGPSLIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLVANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHNAVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAGGGGGSFAVTNDGVI
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -2.956
• Maximal score value: 2.5237
• Average score: -0.448
• Total score value: -133.9557

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	F	A	1.5367
2	S	A	0.0437
3	R	A	-1.2564
4	P	A	-0.8759
5	G	A	-0.8966
6	L	A	-0.5677
7	P	A	-0.2327
8	V	A	0.0392
9	E	A	-0.3303
10	Y	A	0.5676
11	L	A	0.0000
12	Q	A	-1.8288
13	V	A	0.0000
14	P	A	-1.6228
15	S	A	0.0000
16	P	A	-0.9979
17	S	A	-0.6957
18	M	A	0.0000
19	G	A	-1.3413
20	R	A	-1.9236
21	D	A	-2.7034
22	I	A	0.0000
23	K	A	-1.3923
24	V	A	0.0000
25	Q	A	0.0000
26	F	A	0.0000
27	Q	A	0.0000
28	S	A	-0.9426
29	G	A	-1.1179
30	G	A	-1.6558
31	N	A	-2.3273
32	N	A	-2.4266
33	S	A	0.0000
34	P	A	0.0000
35	A	A	0.0000
36	V	A	0.0000
37	Y	A	0.0000
38	L	A	0.0000
39	L	A	0.0000
40	D	A	0.0000
41	G	A	0.0000
42	L	A	-1.0512
43	R	A	-2.4840
44	A	A	0.0000
45	Q	A	-2.5006
46	D	A	-2.9560
47	D	A	-2.0060
48	Y	A	-0.4083
49	N	A	0.0000
50	G	A	0.0000
51	W	A	0.0000
52	D	A	0.0000
53	I	A	0.8737
54	N	A	-0.0178
55	T	A	0.0000
56	P	A	0.1132
57	A	A	0.0000
58	F	A	0.0000
59	E	A	-0.4713
60	W	A	-0.2158
61	Y	A	0.0000
62	Y	A	-0.0822
63	Q	A	-1.1096
64	S	A	0.0000
65	G	A	-1.2644
66	L	A	0.0000
67	S	A	0.0000
68	I	A	0.0000
69	V	A	0.0000
70	M	A	0.0000
71	P	A	0.0000
72	V	A	0.0000
73	G	A	0.0000
74	G	A	0.0000
75	Q	A	-1.3950
76	S	A	0.0000
77	S	A	0.0000
78	F	A	0.0000
79	Y	A	0.0000
80	S	A	0.0000
81	D	A	-0.6435
82	W	A	0.0000
83	Y	A	0.9393
84	S	A	0.0702
85	P	A	-0.1933
86	A	A	0.0000
87	C	A	-0.5221
88	G	A	-1.5463
89	K	A	-1.9926
90	A	A	-0.9128
91	G	A	-0.6374
92	C	A	-0.0147
93	Q	A	-0.6728
94	T	A	-0.5124
95	Y	A	0.0000
96	K	A	-0.8861
97	W	A	0.0000
98	E	A	-0.5803
99	T	A	-0.5209
100	F	A	0.0000
101	L	A	0.0000
102	T	A	-0.3792
103	S	A	-0.5334
104	E	A	-0.6888
105	L	A	0.0000
106	P	A	0.0000
107	Q	A	-1.5293
108	W	A	-0.8584
109	L	A	0.0000
110	S	A	-1.4771
111	A	A	-0.9290
112	N	A	-1.2669
113	R	A	-1.7037
114	A	A	-1.7968
115	V	A	0.0000
116	K	A	-1.8481
117	P	A	-1.2361
118	T	A	-0.8880
119	G	A	-0.5353
120	S	A	0.0000
121	A	A	0.0000
122	A	A	0.0000
123	I	A	0.0000
124	G	A	0.0000
125	L	A	0.0000
126	S	A	0.0090
127	M	A	0.0000
128	A	A	0.0000
129	G	A	0.0000
130	S	A	0.0000
131	S	A	0.0000
132	A	A	0.0000
133	M	A	0.0000
134	I	A	0.0000
135	L	A	0.0000
136	A	A	0.0000
137	A	A	0.0000
138	Y	A	-0.2507
139	H	A	-0.4175
140	P	A	-0.9496
141	Q	A	-1.2627
142	Q	A	-0.8003
143	F	A	0.0000
144	I	A	-0.2136
145	Y	A	0.0000
146	A	A	0.0000
147	G	A	0.0000
148	S	A	0.0000
149	L	A	0.0000
150	S	A	0.0000
151	A	A	0.0000
152	L	A	0.3172
153	L	A	0.0000
154	D	A	0.0000
155	P	A	0.0000
156	S	A	-1.3689
157	Q	A	-1.3544
158	G	A	-0.4767
159	M	A	0.4806
160	G	A	0.0000
161	P	A	0.0173
162	S	A	0.3942
163	L	A	0.9162
164	I	A	0.0000
165	G	A	-0.1041
166	L	A	0.6564
167	A	A	-0.3629
168	M	A	0.0000
169	G	A	-1.4649
170	D	A	-2.1904
171	A	A	0.0000
172	G	A	0.0000
173	G	A	-1.8238
174	Y	A	0.0000
175	K	A	-1.8953
176	A	A	-0.7666
177	A	A	-0.6722
178	D	A	-0.4807
179	M	A	0.0000
180	W	A	0.0000
181	G	A	0.0000
182	P	A	-0.6323
183	S	A	-0.9809
184	S	A	-0.8998
185	D	A	-1.1480
186	P	A	-1.2757
187	A	A	-0.9544
188	W	A	0.0000
189	E	A	-2.6438
190	R	A	-1.6674
191	N	A	0.0000
192	D	A	0.0000
193	P	A	0.0000
194	T	A	-1.4198
195	Q	A	-2.0180
196	Q	A	0.0000
197	I	A	0.0000
198	P	A	-1.1036
199	K	A	-1.4273
200	L	A	0.0000
201	V	A	-1.2767
202	A	A	-0.9576
203	N	A	-1.4568
204	N	A	-1.8250
205	T	A	0.0000
206	R	A	-0.8829
207	L	A	0.0000
208	W	A	0.0000
209	V	A	0.0000
210	Y	A	0.0000
211	C	A	0.0000
212	G	A	0.0000
213	N	A	-0.7869
214	G	A	0.0000
215	T	A	-1.0429
216	P	A	-1.1873
217	N	A	-1.3962
218	E	A	-1.8296
219	L	A	-0.6950
220	G	A	-0.9352
221	G	A	-1.0581
222	A	A	-0.6358
223	N	A	-0.5219
224	I	A	1.5481
225	P	A	0.7995
226	A	A	0.2722
227	E	A	0.1942
228	F	A	1.6718
229	L	A	1.3868
230	E	A	0.0000
231	N	A	-0.6495
232	F	A	0.4551
233	V	A	0.0000
234	R	A	-0.3043
235	S	A	-0.5605
236	S	A	0.0000
237	N	A	0.0000
238	L	A	-0.3817
239	K	A	-1.7344
240	F	A	0.0000
241	Q	A	-1.5439
242	D	A	-2.5599
243	A	A	-1.7987
244	Y	A	0.0000
245	N	A	-2.4257
246	A	A	-1.3447
247	A	A	-0.9876
248	G	A	-1.0942
249	G	A	0.0000
250	H	A	-1.6623
251	N	A	-1.2193
252	A	A	-0.5877
253	V	A	0.2634
254	F	A	0.5042
255	N	A	0.0807
256	F	A	0.1583
257	P	A	-0.2833
258	P	A	-0.5978
259	N	A	-0.8579
260	G	A	0.0000
261	T	A	0.0000
262	H	A	-0.7025
263	S	A	-0.5227
264	W	A	-0.4932
265	E	A	-1.1659
266	Y	A	0.0000
267	W	A	0.0000
268	G	A	0.0000
269	A	A	-0.4726
270	Q	A	-0.5790
271	L	A	0.0000
272	N	A	-0.8687
273	A	A	-0.5977
274	M	A	0.0000
275	K	A	-1.0094
276	G	A	-1.0695
277	D	A	-0.8166
278	L	A	0.0000
279	Q	A	-1.0152
280	S	A	-0.8909
281	S	A	-0.5066
282	L	A	-0.3866
283	G	A	-0.9015
284	A	A	-1.1056
285	G	A	-1.4313
286	G	A	-1.3249
287	G	A	-1.3308
288	G	A	-0.9679
289	G	A	-0.3606
290	S	A	0.5774
291	F	A	2.2016
292	A	A	1.5477
293	V	A	1.7270
294	T	A	-0.1484
295	N	A	-1.6103
296	D	A	-1.7103
297	G	A	-0.3503
298	V	A	2.0078
299	I	A	2.5237