Project name: 3_i20e6_x11e6_i14e7_x4e7

Chain sequence(s)	A: AAYVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPG
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                                          (00:03:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:13)

• Minimal score value: -4.6439
• Maximal score value: 4.0994
• Average score: -0.196
• Total score value: -50.9624

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	A	A	1.0828
2	A	A	1.5430
3	Y	A	2.6042
4	V	A	3.4840
5	Y	A	2.7686
6	D	A	1.0691
7	F	A	2.2051
8	A	A	1.5730
9	F	A	1.6643
10	R	A	-0.8175
11	D	A	-1.2157
12	L	A	0.6729
13	A	A	-0.1120
14	A	A	-0.1751
15	Y	A	0.5115
16	R	A	-0.4856
17	F	A	1.3872
18	H	A	-0.0707
19	N	A	-0.3923
20	I	A	1.3087
21	A	A	0.4370
22	G	A	0.0989
23	H	A	0.0413
24	Y	A	1.0769
25	A	A	0.7703
26	A	A	1.1214
27	Y	A	2.0399
28	C	A	2.1177
29	Y	A	2.3978
30	S	A	1.6858
31	L	A	2.3028
32	Y	A	1.9988
33	G	A	0.8030
34	T	A	0.8371
35	T	A	1.1045
36	L	A	1.4731
37	A	A	0.6517
38	A	A	0.9199
39	Y	A	1.5762
40	K	A	0.0530
41	T	A	0.6177
42	V	A	2.0993
43	L	A	1.7930
44	E	A	-0.4985
45	L	A	0.2378
46	T	A	-0.2327
47	E	A	-0.8655
48	V	A	0.4605
49	A	A	-0.2047
50	A	A	-0.4578
51	Y	A	0.0797
52	A	A	-0.8111
53	E	A	-2.3710
54	K	A	-2.3478
55	L	A	-1.9142
56	R	A	-3.8815
57	H	A	-3.9695
58	L	A	-3.0610
59	N	A	-3.9376
60	E	A	-4.4776
61	K	A	-4.2559
62	R	A	-4.6439
63	R	A	-4.0348
64	F	A	-1.5778
65	H	A	-2.5627
66	N	A	-2.7787
67	G	A	-1.7962
68	P	A	-1.3202
69	G	A	-0.9540
70	P	A	-0.6928
71	G	A	-1.2137
72	L	A	-0.5381
73	D	A	-2.5781
74	K	A	-3.6201
75	K	A	-3.5466
76	Q	A	-3.1610
77	R	A	-2.4732
78	F	A	0.1493
79	H	A	-1.0476
80	N	A	-1.1164
81	I	A	-0.7312
82	R	A	-2.2542
83	G	A	-1.9854
84	R	A	-2.1263
85	W	A	-0.0623
86	T	A	-0.0682
87	G	A	-0.6170
88	P	A	-0.8298
89	G	A	-1.0623
90	P	A	-1.1230
91	G	A	-1.9444
92	N	A	-2.3728
93	P	A	-1.8224
94	A	A	-1.7829
95	E	A	-2.8352
96	K	A	-2.6596
97	L	A	-1.0317
98	R	A	-3.0614
99	H	A	-3.0791
100	L	A	-1.8479
101	N	A	-2.9682
102	E	A	-3.9553
103	K	A	-3.7928
104	R	A	-3.7290
105	R	A	-3.0322
106	F	A	-0.7701
107	G	A	-1.3998
108	P	A	-0.8472
109	G	A	-0.7190
110	P	A	-0.9512
111	G	A	-1.3208
112	S	A	-1.2280
113	K	A	-1.9630
114	I	A	-0.6071
115	S	A	-1.5386
116	E	A	-1.9323
117	Y	A	-0.0972
118	R	A	-1.2346
119	H	A	-0.4850
120	Y	A	1.3246
121	C	A	1.3427
122	Y	A	1.7054
123	S	A	1.5299
124	L	A	2.5602
125	Y	A	2.0622
126	G	A	0.8229
127	G	A	0.0319
128	P	A	-0.5396
129	G	A	-0.6727
130	P	A	-0.6664
131	G	A	-0.5737
132	Y	A	0.1147
133	R	A	-0.9064
134	A	A	-0.1704
135	H	A	0.1987
136	Y	A	1.5978
137	N	A	1.1767
138	I	A	2.8100
139	V	A	3.0061
140	T	A	2.6350
141	F	A	3.5701
142	A	A	2.6751
143	A	A	2.1111
144	Y	A	2.3222
145	T	A	1.8948
146	L	A	2.5012
147	Q	A	1.2441
148	D	A	0.6244
149	I	A	2.8347
150	V	A	3.1794
151	L	A	2.5182
152	H	A	1.7379
153	L	A	3.0119
154	A	A	2.6562
155	A	A	2.5809
156	Y	A	3.2618
157	L	A	3.1493
158	L	A	3.2060
159	M	A	3.3341
160	G	A	2.5016
161	T	A	2.8538
162	L	A	3.6598
163	G	A	2.5883
164	I	A	3.9314
165	V	A	4.0994
166	A	A	2.7238
167	A	A	2.5269
168	Y	A	3.2645
169	L	A	2.5620
170	P	A	0.3013
171	A	A	-0.8733
172	R	A	-2.7699
173	R	A	-3.2829
174	A	A	-2.5012
175	E	A	-2.9987
176	P	A	-1.9177
177	Q	A	-1.6037
178	A	A	-0.2515
179	A	A	0.9536
180	Y	A	2.4412
181	L	A	3.0169
182	L	A	2.5012
183	C	A	0.8741
184	H	A	-1.0496
185	E	A	-2.0876
186	Q	A	-1.7644
187	L	A	-0.2597
188	S	A	-1.1209
189	D	A	-2.3992
190	S	A	-2.5611
191	E	A	-3.9280
192	E	A	-4.3702
193	E	A	-4.3111
194	N	A	-3.8404
195	D	A	-3.3150
196	G	A	-2.0623
197	P	A	-1.3204
198	G	A	-1.0661
199	P	A	-1.0930
200	G	A	-1.3856
201	Q	A	-1.7928
202	S	A	-1.0643
203	T	A	-0.7606
204	H	A	-0.6226
205	V	A	0.6871
206	D	A	-0.7741
207	I	A	0.7850
208	R	A	-0.9730
209	T	A	-0.0794
210	L	A	1.4814
211	E	A	0.0699
212	D	A	-0.1477
213	L	A	1.7861
214	L	A	2.3236
215	M	A	1.5441
216	G	A	0.3857
217	P	A	-0.3382
218	G	A	-0.8968
219	P	A	-0.8458
220	G	A	-0.8368
221	T	A	-0.4827
222	P	A	-0.4335
223	T	A	0.0032
224	L	A	1.2613
225	H	A	-0.3028
226	E	A	-0.5574
227	Y	A	1.2498
228	M	A	1.2331
229	L	A	0.9671
230	D	A	-0.5542
231	L	A	0.6003
232	Q	A	-1.0236
233	P	A	-1.4912
234	E	A	-2.2550
235	T	A	-1.5575
236	G	A	-1.2264
237	P	A	-1.0539
238	G	A	-0.7691
239	P	A	-0.7728
240	G	A	-0.6356
241	L	A	0.5394
242	Q	A	-0.6080
243	D	A	-0.3711
244	I	A	2.2298
245	V	A	2.7737
246	L	A	2.2399
247	H	A	0.6548
248	L	A	0.5207
249	E	A	-1.7161
250	P	A	-2.0170
251	Q	A	-2.4452
252	N	A	-2.5324
253	E	A	-1.9273
254	I	A	0.3794
255	P	A	-0.2719
256	G	A	-0.5618
257	P	A	-0.6578
258	G	A	-0.9806
259	P	A	-0.8159
260	G	A	-0.7333