Project name: 21_x4e7_i14e7_i20e6_x11e6

Chain sequence(s)	A: GPGPGLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPGRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPG
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                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:50)

• Minimal score value: -4.4669
• Maximal score value: 3.5567
• Average score: -0.4794
• Total score value: -125.1126

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	G	A	-0.6910
2	P	A	-0.7682
3	G	A	-0.9089
4	P	A	-0.4547
5	G	A	0.5649
6	L	A	2.0849
7	L	A	2.1074
8	C	A	0.7687
9	H	A	-1.1242
10	E	A	-2.1882
11	Q	A	-1.7290
12	L	A	-0.1254
13	S	A	-1.1122
14	D	A	-2.4406
15	S	A	-2.7199
16	E	A	-3.9888
17	E	A	-4.4438
18	E	A	-4.4669
19	N	A	-3.9773
20	D	A	-3.5534
21	G	A	-2.2512
22	P	A	-1.6606
23	G	A	-1.4671
24	P	A	-1.1414
25	G	A	-1.4064
26	Q	A	-1.8863
27	S	A	-1.0613
28	T	A	-0.6038
29	H	A	-0.3361
30	V	A	1.3217
31	D	A	0.2004
32	I	A	0.7830
33	R	A	-1.4179
34	T	A	-0.3351
35	L	A	0.7731
36	E	A	-1.2351
37	D	A	-1.1142
38	L	A	1.0196
39	L	A	1.6188
40	M	A	0.9942
41	G	A	-0.0347
42	P	A	-0.1529
43	G	A	-0.4653
44	P	A	-0.8352
45	G	A	-0.8216
46	T	A	-0.4160
47	P	A	-0.4415
48	T	A	0.0184
49	L	A	1.3289
50	H	A	-0.2119
51	E	A	-0.5886
52	Y	A	1.3715
53	M	A	1.6136
54	L	A	1.1345
55	D	A	-0.4621
56	L	A	0.6449
57	Q	A	-1.0175
58	P	A	-1.5018
59	E	A	-2.3229
60	T	A	-1.5290
61	G	A	-1.3865
62	P	A	-1.0831
63	G	A	-1.1647
64	P	A	-0.6692
65	G	A	-0.1488
66	L	A	1.3352
67	Q	A	0.1176
68	D	A	0.3415
69	I	A	1.8615
70	V	A	2.5056
71	L	A	1.7413
72	H	A	0.2249
73	L	A	1.1047
74	E	A	-1.1770
75	P	A	-1.7740
76	Q	A	-2.4683
77	N	A	-2.4142
78	E	A	-1.9151
79	I	A	0.2481
80	P	A	-0.3584
81	G	A	-0.5760
82	P	A	-1.1452
83	G	A	-1.4215
84	P	A	-1.2823
85	G	A	-1.7560
86	R	A	-2.3285
87	A	A	-1.3279
88	H	A	-0.9733
89	Y	A	1.1490
90	N	A	1.0767
91	I	A	3.1235
92	V	A	3.2999
93	T	A	2.6679
94	F	A	3.5567
95	A	A	2.1712
96	A	A	1.8499
97	Y	A	1.8660
98	T	A	1.1298
99	L	A	1.0502
100	Q	A	0.1672
101	D	A	-0.3191
102	I	A	1.4053
103	V	A	1.8797
104	L	A	1.6103
105	H	A	0.7624
106	L	A	1.6868
107	A	A	1.7612
108	A	A	1.9393
109	Y	A	2.5043
110	L	A	2.0787
111	L	A	2.5446
112	M	A	2.6326
113	G	A	1.6263
114	T	A	1.8124
115	L	A	2.5624
116	G	A	1.3058
117	I	A	1.7718
118	V	A	2.1499
119	A	A	1.5739
120	A	A	1.3987
121	Y	A	2.0966
122	L	A	1.4412
123	P	A	0.0705
124	A	A	-0.4238
125	R	A	-1.4526
126	R	A	-2.3734
127	A	A	-1.9243
128	E	A	-2.6932
129	P	A	-1.9006
130	Q	A	-1.0940
131	A	A	-0.3321
132	A	A	0.4119
133	Y	A	2.2461
134	V	A	3.1603
135	Y	A	2.1885
136	D	A	0.9054
137	F	A	1.8709
138	A	A	0.9123
139	F	A	0.5690
140	R	A	-1.5706
141	D	A	-1.4978
142	L	A	-0.3760
143	A	A	-0.6869
144	A	A	-0.7120
145	Y	A	-0.1966
146	R	A	-1.1497
147	F	A	-0.1321
148	H	A	-1.0842
149	N	A	-1.7077
150	I	A	-0.5853
151	A	A	-0.4613
152	G	A	-1.0715
153	H	A	-0.6517
154	Y	A	0.2880
155	A	A	0.5733
156	A	A	0.9945
157	Y	A	1.8007
158	C	A	1.6050
159	Y	A	2.1094
160	S	A	1.4055
161	L	A	1.8228
162	Y	A	1.9545
163	G	A	1.3039
164	T	A	0.8167
165	T	A	1.1807
166	L	A	1.9653
167	A	A	0.9293
168	A	A	1.0183
169	Y	A	1.8136
170	K	A	0.1044
171	T	A	0.6663
172	V	A	2.4145
173	L	A	1.4633
174	E	A	-0.2517
175	L	A	1.8292
176	T	A	0.8436
177	E	A	-0.2972
178	V	A	1.4376
179	A	A	0.4488
180	A	A	-0.2684
181	Y	A	0.4417
182	A	A	-0.7824
183	E	A	-2.7008
184	K	A	-2.3733
185	L	A	-1.8701
186	R	A	-3.7866
187	H	A	-3.8610
188	L	A	-2.8794
189	N	A	-3.7508
190	E	A	-4.0718
191	K	A	-3.4915
192	R	A	-4.3240
193	R	A	-3.7623
194	F	A	-1.3983
195	H	A	-2.5765
196	N	A	-2.9545
197	G	A	-1.7866
198	P	A	-1.1183
199	G	A	-0.9582
200	P	A	-0.7509
201	G	A	-0.8570
202	L	A	-1.2371
203	D	A	-3.0460
204	K	A	-3.6171
205	K	A	-3.5868
206	Q	A	-2.9616
207	R	A	-2.9208
208	F	A	-1.7979
209	H	A	-2.8001
210	N	A	-2.3464
211	I	A	-1.1775
212	R	A	-2.3422
213	G	A	-2.0561
214	R	A	-2.3434
215	W	A	-0.6123
216	T	A	-0.8397
217	G	A	-1.1818
218	P	A	-1.0142
219	G	A	-1.2734
220	P	A	-1.3394
221	G	A	-2.1141
222	N	A	-2.6497
223	P	A	-2.0932
224	A	A	-1.9599
225	E	A	-3.3116
226	K	A	-3.3165
227	L	A	-2.0057
228	R	A	-3.9608
229	H	A	-4.0154
230	L	A	-3.0351
231	N	A	-3.7239
232	E	A	-4.4114
233	K	A	-3.9880
234	R	A	-4.1921
235	R	A	-3.3626
236	F	A	-0.8997
237	G	A	-1.6187
238	P	A	-1.0847
239	G	A	-1.6414
240	P	A	-0.9794
241	G	A	-1.0560
242	S	A	-1.4986
243	K	A	-2.0117
244	I	A	-0.2422
245	S	A	-1.2476
246	E	A	-1.8501
247	Y	A	-0.0852
248	R	A	-1.0574
249	H	A	-0.7356
250	Y	A	1.2895
251	C	A	1.2741
252	Y	A	1.5088
253	S	A	1.2840
254	L	A	2.2070
255	Y	A	2.1110
256	G	A	0.5809
257	G	A	-0.2700
258	P	A	-0.8404
259	G	A	-1.0421
260	P	A	-0.8245
261	G	A	-0.7476