Project name: P20-UbG76V-AAY

Chain sequence(s)	A: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGVGILARNLVPMVATVQGQNLKAAYGPVFMCLGGLLTMVAGAVWLAAYVLCCYVLEETSVMLAKRPLIAAYVVTHTYLEPGPVTAQVVLQAAAYAIQNAGLCTLVAMLLEETIFAAYSSAFTITDQVPFSVQLRALDAAYAWDFGSVGGVFTSVGKAVHQAAYSPLTGGILGFVFTLTVPSERQLYPYDVPDYA
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                                          (00:03:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:11)

• Minimal score value: -3.8934
• Maximal score value: 4.1437
• Average score: 0.3304
• Total score value: 88.541

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	-2.1882
2	Q	A	-2.5012
3	I	A	0.0000
4	F	A	-0.7564
5	V	A	0.0000
6	K	A	-0.7733
7	T	A	0.0000
8	L	A	1.0656
9	T	A	0.4155
10	G	A	-0.8755
11	K	A	-1.6069
12	T	A	-0.8809
13	I	A	0.0000
14	T	A	-1.0067
15	L	A	0.0000
16	E	A	-2.5174
17	V	A	0.0000
18	E	A	-2.8413
19	P	A	-1.9690
20	S	A	-1.5258
21	D	A	-1.8543
22	T	A	-2.7706
23	I	A	0.0000
24	E	A	-3.7686
25	N	A	-2.6880
26	V	A	0.0000
27	K	A	0.0000
28	A	A	-2.3342
29	K	A	-2.7367
30	I	A	0.0000
31	Q	A	-2.6834
32	D	A	-3.3818
33	K	A	-3.2735
34	E	A	-2.3318
35	G	A	-1.9525
36	I	A	-1.2678
37	P	A	-1.2658
38	P	A	-2.1234
39	D	A	-2.6565
40	Q	A	-1.6393
41	Q	A	0.0000
42	R	A	-2.0951
43	L	A	0.0000
44	I	A	-1.3143
45	F	A	-0.7094
46	A	A	-0.6708
47	G	A	-1.3687
48	K	A	-2.5339
49	Q	A	-2.6943
50	L	A	0.0000
51	E	A	-3.8405
52	D	A	-3.8934
53	G	A	-2.8825
54	R	A	-3.3510
55	T	A	-2.7588
56	L	A	0.0000
57	S	A	-2.1151
58	D	A	-2.3524
59	Y	A	-1.9861
60	N	A	-2.1932
61	I	A	0.0000
62	Q	A	-3.0880
63	K	A	-3.7354
64	E	A	-2.9389
65	S	A	-1.8447
66	T	A	-0.8541
67	L	A	0.0000
68	H	A	-0.5392
69	L	A	0.0000
70	V	A	0.3158
71	L	A	0.0321
72	R	A	-0.9679
73	L	A	0.6777
74	R	A	-0.9040
75	G	A	0.5526
76	V	A	1.4740
77	G	A	0.3228
78	I	A	0.6578
79	L	A	1.5062
80	A	A	0.8881
81	R	A	-0.5799
82	N	A	-0.0713
83	L	A	2.0590
84	V	A	2.1616
85	P	A	0.9956
86	M	A	1.8073
87	V	A	1.9339
88	A	A	1.0962
89	T	A	0.4906
90	V	A	0.4666
91	Q	A	-1.3500
92	G	A	-1.5496
93	Q	A	-2.1941
94	N	A	-2.1536
95	L	A	-0.7989
96	K	A	-1.7736
97	A	A	-0.5501
98	A	A	0.3872
99	Y	A	1.6167
100	G	A	1.1775
101	P	A	1.5879
102	V	A	3.1421
103	F	A	2.8550
104	M	A	2.7918
105	C	A	2.7467
106	L	A	2.9187
107	G	A	2.1744
108	G	A	1.9571
109	L	A	2.6964
110	L	A	2.4615
111	T	A	1.7238
112	M	A	2.4152
113	V	A	2.7426
114	A	A	2.1296
115	G	A	1.9264
116	A	A	2.4583
117	V	A	3.2238
118	W	A	3.3332
119	L	A	3.4576
120	A	A	2.7764
121	A	A	2.9443
122	Y	A	3.7205
123	V	A	3.6052
124	L	A	4.0147
125	C	A	3.1500
126	C	A	2.2328
127	Y	A	2.8189
128	V	A	3.1640
129	L	A	1.8148
130	E	A	-0.8446
131	E	A	-1.1078
132	T	A	0.2349
133	S	A	-0.1257
134	V	A	0.1399
135	M	A	0.3466
136	L	A	1.1466
137	A	A	0.0507
138	K	A	-1.1225
139	R	A	-0.4620
140	P	A	0.1612
141	L	A	1.4907
142	I	A	2.3899
143	A	A	2.1737
144	A	A	1.7730
145	Y	A	2.4260
146	V	A	3.1755
147	V	A	3.1655
148	T	A	1.8044
149	H	A	0.7261
150	T	A	1.2172
151	Y	A	1.6990
152	L	A	0.8048
153	E	A	-1.3859
154	P	A	-0.6824
155	G	A	-0.2397
156	P	A	0.1660
157	V	A	1.5770
158	T	A	0.7645
159	A	A	0.5406
160	Q	A	0.1015
161	V	A	1.1027
162	V	A	1.1944
163	L	A	1.1368
164	Q	A	-0.0116
165	A	A	0.8006
166	A	A	1.1156
167	A	A	0.5181
168	Y	A	0.3498
169	A	A	0.5613
170	I	A	1.1984
171	Q	A	-0.5869
172	N	A	-0.7595
173	A	A	0.1134
174	G	A	0.8391
175	L	A	2.2025
176	C	A	2.0154
177	T	A	1.4888
178	L	A	0.0000
179	V	A	2.1059
180	A	A	0.9627
181	M	A	0.3940
182	L	A	0.9038
183	L	A	0.6073
184	E	A	-0.8575
185	E	A	-0.8071
186	T	A	0.2929
187	I	A	1.2420
188	F	A	1.8559
189	A	A	1.0786
190	A	A	1.3135
191	Y	A	2.3971
192	S	A	1.7618
193	S	A	1.4427
194	A	A	1.7442
195	F	A	2.3114
196	T	A	1.1745
197	I	A	1.2560
198	T	A	0.2769
199	D	A	-1.5705
200	Q	A	-1.2215
201	V	A	0.5053
202	P	A	0.8865
203	F	A	2.0444
204	S	A	1.2185
205	V	A	1.5649
206	Q	A	0.7711
207	L	A	0.4647
208	R	A	-0.9989
209	A	A	-0.2401
210	L	A	0.3186
211	D	A	-0.9873
212	A	A	-0.1604
213	A	A	0.4593
214	Y	A	0.8853
215	A	A	0.6718
216	W	A	0.9947
217	D	A	-0.2175
218	F	A	1.4390
219	G	A	-0.0885
220	S	A	0.5337
221	V	A	2.0995
222	G	A	0.7223
223	G	A	1.0960
224	V	A	2.2382
225	F	A	2.5175
226	T	A	0.8056
227	S	A	0.6211
228	V	A	1.8927
229	G	A	0.3002
230	K	A	-1.4129
231	A	A	-0.5585
232	V	A	0.1360
233	H	A	-1.2498
234	Q	A	-1.4756
235	A	A	-0.2613
236	A	A	0.2561
237	Y	A	0.9501
238	S	A	0.5965
239	P	A	0.8341
240	L	A	1.8040
241	T	A	1.5102
242	G	A	1.2288
243	G	A	1.3915
244	I	A	3.2594
245	L	A	2.8846
246	G	A	2.3505
247	F	A	3.9010
248	V	A	4.1437
249	F	A	3.8880
250	T	A	3.0426
251	L	A	3.3018
252	T	A	2.5411
253	V	A	2.3321
254	P	A	0.2307
255	S	A	-1.0834
256	E	A	-2.3549
257	R	A	-2.7047
258	Q	A	-1.7127
259	L	A	0.4724
260	Y	A	1.1475
261	P	A	0.6090
262	Y	A	1.3832
263	D	A	-0.3917
264	V	A	1.0487
265	P	A	-0.0882
266	D	A	-0.9625
267	Y	A	0.6845
268	A	A	0.2022