Project name: 3-g4s-5r1

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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)

• Minimal score value: -2.9133
• Maximal score value: 2.5525
• Average score: -0.4566
• Total score value: -136.521

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	1.4400
2	S	A	-0.1693
3	R	A	-1.6216
4	P	A	-1.0943
5	G	A	-1.0065
6	L	A	-0.6808
7	P	A	-0.3356
8	V	A	-0.1398
9	E	A	-0.1919
10	Y	A	0.6359
11	L	A	0.0000
12	Q	A	-1.8603
13	V	A	0.0000
14	P	A	-1.6148
15	S	A	0.0000
16	P	A	-0.9829
17	S	A	-0.7043
18	M	A	0.0000
19	G	A	-1.3225
20	R	A	-1.9619
21	D	A	-2.7197
22	I	A	0.0000
23	K	A	-1.6529
24	V	A	0.0000
25	Q	A	0.0000
26	F	A	0.0000
27	Q	A	0.0000
28	S	A	-0.9071
29	G	A	-1.0695
30	G	A	-1.6685
31	N	A	-2.2334
32	N	A	-2.2348
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	-1.0664
43	R	A	-2.4587
44	A	A	0.0000
45	Q	A	-2.3828
46	D	A	-2.9133
47	D	A	-1.9525
48	Y	A	-0.3778
49	N	A	0.0000
50	G	A	0.0000
51	W	A	0.0000
52	D	A	0.0000
53	I	A	0.9381
54	N	A	-0.0099
55	T	A	0.0000
56	P	A	-0.2350
57	A	A	0.0000
58	F	A	0.0000
59	E	A	-0.8089
60	W	A	-0.4177
61	Y	A	0.0000
62	Y	A	-0.1929
63	Q	A	-1.2328
64	S	A	0.0000
65	G	A	-1.3016
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	-1.3507
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	-0.6450
82	W	A	0.0000
83	Y	A	0.9609
84	S	A	0.1297
85	P	A	-0.2414
86	A	A	0.0000
87	C	A	-0.4887
88	G	A	-1.5002
89	K	A	-1.9788
90	A	A	-0.8200
91	G	A	-0.4733
92	C	A	0.1987
93	Q	A	-0.2978
94	T	A	-0.3524
95	Y	A	0.0000
96	K	A	-0.8708
97	W	A	0.0000
98	E	A	-0.6027
99	T	A	-0.5243
100	F	A	0.0000
101	L	A	0.0000
102	T	A	-0.3452
103	S	A	-0.5050
104	E	A	-0.6651
105	L	A	0.0000
106	P	A	0.0000
107	Q	A	-1.4448
108	W	A	-0.8466
109	L	A	0.0000
110	S	A	-1.3335
111	A	A	-0.8779
112	N	A	-1.2967
113	R	A	-1.6524
114	A	A	-1.6561
115	V	A	0.0000
116	K	A	-1.3819
117	P	A	-0.9451
118	T	A	-0.6652
119	G	A	-0.3662
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	-0.1096
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	-0.2490
139	H	A	-0.4290
140	P	A	-0.8776
141	Q	A	-1.2073
142	Q	A	0.0000
143	F	A	0.0000
144	I	A	-0.0986
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	0.1527
153	L	A	0.0000
154	D	A	-1.2408
155	P	A	0.0000
156	S	A	-1.5386
157	Q	A	-1.5724
158	G	A	-0.5467
159	M	A	0.4709
160	G	A	0.0000
161	P	A	-0.0292
162	S	A	0.3788
163	L	A	0.8714
164	I	A	0.0000
165	G	A	-0.0820
166	L	A	0.6769
167	A	A	-0.3619
168	M	A	0.0000
169	G	A	-1.4544
170	D	A	-2.2005
171	A	A	0.0000
172	G	A	-1.8758
173	G	A	-1.8376
174	Y	A	0.0000
175	K	A	-1.9083
176	A	A	-0.8684
177	A	A	-0.6535
178	D	A	-0.4600
179	M	A	0.0000
180	W	A	0.0000
181	G	A	0.0000
182	P	A	-0.6226
183	S	A	-0.9611
184	S	A	-0.8977
185	D	A	-1.1379
186	P	A	-1.2862
187	A	A	-0.9628
188	W	A	0.0000
189	E	A	-2.7745
190	R	A	-1.7399
191	N	A	0.0000
192	D	A	0.0000
193	P	A	0.0000
194	T	A	-1.5574
195	Q	A	-2.0317
196	Q	A	0.0000
197	I	A	0.0000
198	P	A	-1.0414
199	K	A	-1.2995
200	L	A	0.0000
201	V	A	-1.2467
202	A	A	-0.9345
203	N	A	-1.4890
204	N	A	-1.7351
205	T	A	0.0000
206	R	A	-0.6573
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	-0.7699
214	G	A	0.0000
215	T	A	-0.5361
216	P	A	-1.0624
217	N	A	-1.3153
218	E	A	-1.7772
219	L	A	-0.6617
220	G	A	-0.9022
221	G	A	-0.6933
222	A	A	-0.4873
223	N	A	-0.0365
224	I	A	1.7814
225	P	A	0.9982
226	A	A	0.0000
227	E	A	0.4257
228	F	A	1.8004
229	L	A	1.1021
230	E	A	0.0000
231	N	A	-0.7117
232	F	A	0.2033
233	V	A	0.0000
234	R	A	-0.6490
235	S	A	-0.7429
236	S	A	0.0000
237	N	A	0.0000
238	L	A	-0.6871
239	K	A	-2.1814
240	F	A	0.0000
241	Q	A	-1.7382
242	D	A	-2.7285
243	A	A	-1.9167
244	Y	A	0.0000
245	N	A	-2.4687
246	A	A	-1.3518
247	A	A	-0.9982
248	G	A	-1.1358
249	G	A	-1.7665
250	H	A	-1.6897
251	N	A	-1.2748
252	A	A	-0.5635
253	V	A	0.2219
254	F	A	0.4549
255	N	A	0.0784
256	F	A	0.1772
257	P	A	-0.2614
258	P	A	-0.5758
259	N	A	-0.8241
260	G	A	0.0000
261	T	A	0.0000
262	H	A	-0.3876
263	S	A	-0.5131
264	W	A	-0.4027
265	E	A	-1.0729
266	Y	A	0.0000
267	W	A	0.0000
268	G	A	0.0000
269	A	A	-0.4734
270	Q	A	-0.5959
271	L	A	0.0000
272	N	A	-0.9604
273	A	A	-0.6595
274	M	A	0.0000
275	K	A	-1.0914
276	G	A	-1.1826
277	D	A	-0.9733
278	L	A	0.0000
279	Q	A	-1.0739
280	S	A	-0.9500
281	S	A	-0.6181
282	L	A	0.0000
283	G	A	-0.9259
284	A	A	0.0000
285	G	A	-1.2401
286	G	A	-1.2093
287	G	A	-1.4378
288	G	A	-1.1165
289	G	A	-0.3342
290	S	A	0.6188
291	F	A	2.1782
292	A	A	1.5360
293	V	A	1.6793
294	T	A	-0.1500
295	N	A	-1.5120
296	D	A	-1.8332
297	G	A	-0.3022
298	V	A	1.9674
299	I	A	2.5525