Project name: P20-UbG76V-NL

Chain sequence(s)	A: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGVGILARNLVPMVATVQGQNLKGPVFMCLGGLLTMVAGAVWLVLCCYVLEETSVMLAKRPLIVVTHTYLEPGPVTAQVVLQAAIQNAGLCTLVAMLLEETIFSSAFTITDQVPFSVQLRALDAWDFGSVGGVFTSVGKAVHQSPLTGGILGFVFTLTVPSERQLYPYDVPDYA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:12)

• Minimal score value: -4.3188
• Maximal score value: 4.6018
• Average score: -0.002
• Total score value: -0.5039

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	-2.0794
2	Q	A	-2.4601
3	I	A	0.0000
4	F	A	-0.6943
5	V	A	0.0000
6	K	A	-0.8122
7	T	A	0.0000
8	L	A	0.9571
9	T	A	-0.0147
10	G	A	-0.9994
11	K	A	-1.8265
12	T	A	-0.9616
13	I	A	0.0000
14	T	A	-1.0519
15	L	A	0.0000
16	E	A	-2.5240
17	V	A	0.0000
18	E	A	-2.7780
19	P	A	-1.9382
20	S	A	-1.4897
21	D	A	-1.7372
22	T	A	-2.6868
23	I	A	0.0000
24	E	A	-3.6955
25	N	A	-2.2682
26	V	A	0.0000
27	K	A	-2.4314
28	A	A	-2.1413
29	K	A	-2.8374
30	I	A	0.0000
31	Q	A	-3.0218
32	D	A	-3.6946
33	K	A	-3.7681
34	E	A	-3.2904
35	G	A	-2.4253
36	I	A	-1.6830
37	P	A	-1.4702
38	P	A	-2.1565
39	D	A	-2.5566
40	Q	A	-1.7740
41	Q	A	0.0000
42	R	A	-1.9519
43	L	A	0.0000
44	I	A	-1.1498
45	F	A	-0.6171
46	A	A	-0.6321
47	G	A	-1.3413
48	K	A	-2.4206
49	Q	A	-2.6869
50	L	A	0.0000
51	E	A	-4.0296
52	D	A	-4.3188
53	G	A	-3.0028
54	R	A	-3.3677
55	T	A	-2.7196
56	L	A	0.0000
57	S	A	-2.1327
58	D	A	-2.3119
59	Y	A	-1.9326
60	N	A	-2.1404
61	I	A	0.0000
62	Q	A	-2.8434
63	K	A	-3.2327
64	E	A	-2.7151
65	S	A	-1.6864
66	T	A	-0.7724
67	L	A	0.0000
68	H	A	-0.3397
69	L	A	0.0000
70	V	A	0.2356
71	L	A	-0.0334
72	R	A	-0.9589
73	L	A	0.3973
74	R	A	-1.0449
75	G	A	0.7754
76	V	A	2.1725
77	G	A	0.9946
78	I	A	2.0107
79	L	A	2.4284
80	A	A	1.2518
81	R	A	-0.1795
82	N	A	0.2049
83	L	A	2.1509
84	V	A	2.3747
85	P	A	1.4682
86	M	A	2.3181
87	V	A	2.9005
88	A	A	1.4108
89	T	A	0.7481
90	V	A	0.6113
91	Q	A	-0.9354
92	G	A	-1.3367
93	Q	A	-2.1473
94	N	A	-2.1119
95	L	A	-0.9157
96	K	A	-1.4789
97	G	A	-0.1777
98	P	A	0.8630
99	V	A	1.8343
100	F	A	1.9772
101	M	A	2.2334
102	C	A	2.4253
103	L	A	2.6111
104	G	A	1.9845
105	G	A	1.8499
106	L	A	2.7389
107	L	A	2.6685
108	T	A	1.9712
109	M	A	2.6498
110	V	A	3.1933
111	A	A	2.5835
112	G	A	2.5139
113	A	A	3.1489
114	V	A	4.0223
115	W	A	4.0061
116	L	A	4.1793
117	V	A	4.6018
118	L	A	4.4900
119	C	A	3.5589
120	C	A	2.9925
121	Y	A	2.7420
122	V	A	2.5048
123	L	A	1.6903
124	E	A	-0.2850
125	E	A	-0.7560
126	T	A	0.4840
127	S	A	0.6638
128	V	A	1.4165
129	M	A	0.9765
130	L	A	-0.0010
131	A	A	-0.4548
132	K	A	-2.2598
133	R	A	-2.2770
134	P	A	-0.7342
135	L	A	0.7639
136	I	A	1.7083
137	V	A	2.4864
138	V	A	1.9050
139	T	A	0.5894
140	H	A	0.5613
141	T	A	0.5755
142	Y	A	1.8879
143	L	A	1.4139
144	E	A	-0.7966
145	P	A	-0.7419
146	G	A	-0.3464
147	P	A	0.2358
148	V	A	1.5195
149	T	A	0.7470
150	A	A	0.6258
151	Q	A	-0.3413
152	V	A	0.6750
153	V	A	1.5480
154	L	A	0.0000
155	Q	A	0.3790
156	A	A	0.7672
157	A	A	0.2687
158	I	A	0.4207
159	Q	A	-1.3914
160	N	A	-1.3843
161	A	A	-0.6126
162	G	A	0.1255
163	L	A	1.3969
164	C	A	1.2705
165	T	A	0.9112
166	L	A	1.6679
167	V	A	2.5302
168	A	A	2.2770
169	M	A	1.8901
170	L	A	1.2584
171	L	A	0.9065
172	E	A	-1.5538
173	E	A	-1.8754
174	T	A	-0.2380
175	I	A	0.9429
176	F	A	1.0605
177	S	A	0.8884
178	S	A	0.0000
179	A	A	0.4227
180	F	A	0.5583
181	T	A	0.5186
182	I	A	0.2604
183	T	A	-0.6823
184	D	A	-1.8093
185	Q	A	-1.1520
186	V	A	0.4731
187	P	A	0.2274
188	F	A	0.3260
189	S	A	0.4954
190	V	A	0.0987
191	Q	A	-0.8840
192	L	A	-0.3611
193	R	A	-1.2728
194	A	A	-0.2416
195	L	A	0.7164
196	D	A	-0.8290
197	A	A	-0.1032
198	W	A	0.3410
199	D	A	-0.5844
200	F	A	1.2857
201	G	A	0.2265
202	S	A	0.0734
203	V	A	1.0918
204	G	A	-0.0613
205	G	A	0.2951
206	V	A	1.2318
207	F	A	1.0373
208	T	A	0.7958
209	S	A	1.0106
210	V	A	1.4838
211	G	A	0.0000
212	K	A	-0.8016
213	A	A	-0.3820
214	V	A	0.2625
215	H	A	-0.7969
216	Q	A	-0.9196
217	S	A	0.0000
218	P	A	-0.0493
219	L	A	1.1083
220	T	A	0.3872
221	G	A	-0.2990
222	G	A	-0.2489
223	I	A	0.1470
224	L	A	0.9616
225	G	A	0.0000
226	F	A	0.0000
227	V	A	0.5093
228	F	A	0.5904
229	T	A	0.5009
230	L	A	0.9444
231	T	A	0.9182
232	V	A	1.1304
233	P	A	-0.4334
234	S	A	-1.6193
235	E	A	-2.6652
236	R	A	-2.9321
237	Q	A	-2.1089
238	L	A	-0.3351
239	Y	A	0.7045
240	P	A	0.4843
241	Y	A	1.2084
242	D	A	-0.4466
243	V	A	0.9314
244	P	A	-0.2394
245	D	A	-1.0274
246	Y	A	0.6454
247	A	A	0.1707