Project name: 3-g4s-5r2

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                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)

• Minimal score value: -2.8253
• Maximal score value: 2.5577
• Average score: -0.4267
• Total score value: -127.5833

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	1.4301
2	S	A	-0.1444
3	R	A	-1.6744
4	P	A	-1.0648
5	G	A	-0.9512
6	L	A	-0.5343
7	P	A	-0.1609
8	V	A	0.0808
9	E	A	-0.2885
10	Y	A	0.6205
11	L	A	0.0000
12	Q	A	-1.8230
13	V	A	0.0000
14	P	A	-1.6438
15	S	A	0.0000
16	P	A	-1.0254
17	S	A	-0.7157
18	M	A	0.0000
19	G	A	-1.3893
20	R	A	-2.0312
21	D	A	-2.7560
22	I	A	0.0000
23	K	A	-1.3564
24	V	A	0.0000
25	Q	A	0.0000
26	F	A	0.0000
27	Q	A	0.0000
28	S	A	-0.9115
29	G	A	-1.0870
30	G	A	-1.7603
31	N	A	-2.3807
32	N	A	-2.3691
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	-0.8776
43	R	A	-2.1557
44	A	A	0.0000
45	Q	A	-2.2727
46	D	A	-2.8253
47	D	A	-1.9236
48	Y	A	-0.3206
49	N	A	0.0000
50	G	A	0.0000
51	W	A	0.0000
52	D	A	0.0000
53	I	A	0.8680
54	N	A	-0.0133
55	T	A	0.0000
56	P	A	-0.0388
57	A	A	0.0000
58	F	A	0.0000
59	E	A	-0.3852
60	W	A	-0.1481
61	Y	A	0.0000
62	Y	A	0.1005
63	Q	A	-1.0351
64	S	A	0.0000
65	G	A	-1.1834
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	-1.1665
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	-0.6056
82	W	A	0.0000
83	Y	A	0.9549
84	S	A	0.0933
85	P	A	-0.1508
86	A	A	0.0000
87	C	A	-0.4984
88	G	A	-1.3236
89	K	A	-1.9788
90	A	A	-0.8604
91	G	A	-0.5411
92	C	A	0.0841
93	Q	A	-0.5382
94	T	A	-0.4636
95	Y	A	0.0000
96	K	A	-0.8509
97	W	A	0.0000
98	E	A	-0.5659
99	T	A	-0.5062
100	F	A	0.0000
101	L	A	0.0000
102	T	A	-0.3698
103	S	A	-0.5210
104	E	A	-0.6778
105	L	A	0.0000
106	P	A	0.0000
107	Q	A	-1.4563
108	W	A	-0.8509
109	L	A	0.0000
110	S	A	-1.3284
111	A	A	-0.8673
112	N	A	-1.2600
113	R	A	-1.6003
114	A	A	-1.6707
115	V	A	0.0000
116	K	A	-1.3686
117	P	A	-0.9956
118	T	A	-0.7326
119	G	A	-0.4597
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	0.0973
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	-0.2371
139	H	A	-0.4249
140	P	A	-0.9535
141	Q	A	-1.2708
142	Q	A	-0.7345
143	F	A	0.0000
144	I	A	-0.2791
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	0.1244
153	L	A	0.0000
154	D	A	-0.8218
155	P	A	0.0000
156	S	A	-1.1096
157	Q	A	-1.0155
158	G	A	-0.2972
159	M	A	0.6682
160	G	A	0.0000
161	P	A	0.1572
162	S	A	0.5847
163	L	A	1.0333
164	I	A	0.0000
165	G	A	-0.0136
166	L	A	0.7135
167	A	A	-0.3000
168	M	A	0.0000
169	G	A	-1.4577
170	D	A	-1.9736
171	A	A	0.0000
172	G	A	0.0000
173	G	A	-1.8177
174	Y	A	0.0000
175	K	A	-1.6964
176	A	A	-0.7294
177	A	A	-0.6460
178	D	A	-0.4506
179	M	A	0.0000
180	W	A	0.0000
181	G	A	0.0000
182	P	A	-0.6351
183	S	A	-0.9091
184	S	A	-0.8726
185	D	A	-1.1199
186	P	A	-1.1844
187	A	A	-0.8494
188	W	A	0.0000
189	E	A	-2.1599
190	R	A	-1.3844
191	N	A	0.0000
192	D	A	0.0000
193	P	A	0.0000
194	T	A	-1.1226
195	Q	A	-1.3382
196	Q	A	0.0000
197	I	A	0.0000
198	P	A	-0.9769
199	K	A	-1.2972
200	L	A	0.0000
201	V	A	-1.2351
202	A	A	-0.9448
203	N	A	-1.4768
204	N	A	-1.8296
205	T	A	0.0000
206	R	A	-0.8213
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	-0.7302
214	G	A	0.0000
215	T	A	-0.7922
216	P	A	-1.1410
217	N	A	-1.4715
218	E	A	-1.8949
219	L	A	-0.8080
220	G	A	-0.9986
221	G	A	-0.7513
222	A	A	-0.4893
223	N	A	-0.0264
224	I	A	1.7582
225	P	A	0.8493
226	A	A	0.0000
227	E	A	0.3699
228	F	A	1.8354
229	L	A	1.1993
230	E	A	0.0000
231	N	A	-0.5829
232	F	A	0.4956
233	V	A	0.0000
234	R	A	-0.5191
235	S	A	-0.5295
236	S	A	0.0000
237	N	A	0.0000
238	L	A	-0.4386
239	K	A	-1.7913
240	F	A	0.0000
241	Q	A	-1.4374
242	D	A	-2.4813
243	A	A	-1.6522
244	Y	A	0.0000
245	N	A	-2.1724
246	A	A	-1.2136
247	A	A	-0.9133
248	G	A	-1.0525
249	G	A	-1.6803
250	H	A	-1.6323
251	N	A	-1.2793
252	A	A	-0.5220
253	V	A	0.3153
254	F	A	0.6080
255	N	A	0.1165
256	F	A	0.1785
257	P	A	-0.2718
258	P	A	-0.6015
259	N	A	-0.9121
260	G	A	0.0000
261	T	A	0.0000
262	H	A	-0.3835
263	S	A	-0.5740
264	W	A	-0.4184
265	E	A	-1.0448
266	Y	A	0.0000
267	W	A	0.0000
268	G	A	0.0000
269	A	A	-0.4627
270	Q	A	-0.5898
271	L	A	0.0000
272	N	A	-0.9466
273	A	A	-0.6397
274	M	A	0.0000
275	K	A	-1.0802
276	G	A	-1.0949
277	D	A	-0.8888
278	L	A	0.0000
279	Q	A	-1.1111
280	S	A	-0.9571
281	S	A	-0.6029
282	L	A	0.0000
283	G	A	-1.0087
284	A	A	-1.1022
285	G	A	-1.3940
286	G	A	-1.2808
287	G	A	-1.6753
288	G	A	-1.2869
289	G	A	-0.3906
290	S	A	0.6280
291	F	A	2.1836
292	A	A	1.5107
293	V	A	1.6936
294	T	A	-0.1610
295	N	A	-1.5451
296	D	A	-1.8209
297	G	A	-0.3466
298	V	A	1.9423
299	I	A	2.5577