Project name: 16_x11e6_i14e7_x4e7_i20e6

Chain sequence(s)	A: GPGPGAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAY
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                                          (00:04:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:21)

• Minimal score value: -4.6219
• Maximal score value: 3.7571
• Average score: -0.6189
• Total score value: -161.5441

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	-0.7408
2	P	A	-1.0685
3	G	A	-1.2092
4	P	A	-1.4044
5	G	A	-1.5503
6	A	A	-1.8538
7	E	A	-3.1288
8	K	A	-2.7184
9	L	A	-1.2970
10	R	A	-3.3237
11	H	A	-3.1923
12	L	A	-2.2713
13	N	A	-3.3136
14	E	A	-4.0470
15	K	A	-3.9535
16	R	A	-4.1701
17	R	A	-3.6913
18	F	A	-1.4443
19	H	A	-2.4347
20	N	A	-2.3362
21	G	A	-1.4506
22	P	A	-1.2740
23	G	A	-1.0134
24	P	A	-0.5528
25	G	A	-0.4943
26	L	A	-0.3884
27	D	A	-2.3011
28	K	A	-3.1434
29	K	A	-3.2056
30	Q	A	-2.4855
31	R	A	-2.1942
32	F	A	-0.2119
33	H	A	-1.1922
34	N	A	-0.9313
35	I	A	0.3574
36	R	A	-1.3945
37	G	A	-1.6274
38	R	A	-1.6581
39	W	A	-0.1239
40	T	A	-0.4022
41	G	A	-0.8008
42	P	A	-0.7056
43	G	A	-1.0266
44	P	A	-1.1520
45	G	A	-2.0589
46	N	A	-2.4169
47	P	A	-2.0326
48	A	A	-2.0491
49	E	A	-3.4471
50	K	A	-3.1969
51	L	A	-1.8447
52	R	A	-3.6492
53	H	A	-3.7140
54	L	A	-2.9113
55	N	A	-3.7267
56	E	A	-4.2620
57	K	A	-4.1187
58	R	A	-3.9219
59	R	A	-3.0929
60	F	A	-0.7244
61	G	A	-0.9436
62	P	A	-0.7695
63	G	A	-0.6583
64	P	A	-1.0834
65	G	A	-1.3772
66	S	A	-0.9547
67	K	A	-1.4772
68	I	A	0.5296
69	S	A	-0.8707
70	E	A	-1.5933
71	Y	A	0.3408
72	R	A	-0.7543
73	H	A	-0.3755
74	Y	A	1.4349
75	C	A	1.3712
76	Y	A	1.5851
77	S	A	1.2912
78	L	A	2.1948
79	Y	A	2.1192
80	G	A	0.6869
81	G	A	-0.1997
82	P	A	-0.7928
83	G	A	-1.3107
84	P	A	-1.3251
85	G	A	-1.7558
86	R	A	-2.2603
87	A	A	-1.2727
88	H	A	-1.0030
89	Y	A	1.2049
90	N	A	1.0810
91	I	A	3.1398
92	V	A	3.3272
93	T	A	2.8359
94	F	A	3.7571
95	A	A	2.4654
96	A	A	2.2858
97	Y	A	2.3637
98	T	A	1.8888
99	L	A	2.4722
100	Q	A	1.1874
101	D	A	0.6965
102	I	A	2.8987
103	V	A	3.2160
104	L	A	2.5705
105	H	A	1.8335
106	L	A	3.1623
107	A	A	2.7147
108	A	A	2.6213
109	Y	A	3.2833
110	L	A	3.1139
111	L	A	3.1673
112	M	A	3.2627
113	G	A	2.3828
114	T	A	2.6725
115	L	A	3.3770
116	G	A	2.5102
117	I	A	3.6391
118	V	A	3.5521
119	A	A	2.3082
120	A	A	1.9900
121	Y	A	2.1392
122	L	A	1.0278
123	P	A	-0.5951
124	A	A	-1.0746
125	R	A	-2.8120
126	R	A	-3.2668
127	A	A	-2.5968
128	E	A	-3.1504
129	P	A	-2.3631
130	Q	A	-2.4734
131	A	A	-1.6004
132	A	A	-1.3633
133	Y	A	-0.7368
134	A	A	-1.3238
135	E	A	-2.9456
136	K	A	-2.7011
137	L	A	-1.6280
138	R	A	-3.5829
139	H	A	-3.4498
140	L	A	-2.3300
141	N	A	-3.4079
142	E	A	-3.8805
143	K	A	-3.4863
144	R	A	-4.1821
145	R	A	-3.6659
146	F	A	-1.4770
147	H	A	-2.5589
148	N	A	-2.6178
149	G	A	-1.5760
150	P	A	-1.0480
151	G	A	-1.0476
152	P	A	-0.5379
153	G	A	-0.5331
154	L	A	-0.4433
155	D	A	-2.2795
156	K	A	-3.2619
157	K	A	-3.4602
158	Q	A	-3.0281
159	R	A	-3.0212
160	F	A	-1.3535
161	H	A	-2.0133
162	N	A	-1.8440
163	I	A	-0.1917
164	R	A	-1.9031
165	G	A	-1.8118
166	R	A	-1.8303
167	W	A	-0.1400
168	T	A	-0.3893
169	G	A	-0.8091
170	P	A	-0.7064
171	G	A	-1.2324
172	P	A	-1.1676
173	G	A	-2.0306
174	N	A	-2.3825
175	P	A	-1.9570
176	A	A	-1.9552
177	E	A	-3.3674
178	K	A	-3.1682
179	L	A	-1.8250
180	R	A	-3.7818
181	H	A	-3.9189
182	L	A	-3.2002
183	N	A	-4.2913
184	E	A	-4.6219
185	K	A	-4.3351
186	R	A	-4.2554
187	R	A	-3.3749
188	F	A	-0.8258
189	G	A	-1.2306
190	P	A	-0.8955
191	G	A	-1.2516
192	P	A	-1.1180
193	G	A	-1.3728
194	S	A	-0.9914
195	K	A	-1.6167
196	I	A	0.2878
197	S	A	-1.1228
198	E	A	-2.0416
199	Y	A	-0.2477
200	R	A	-1.4348
201	H	A	-0.7377
202	Y	A	1.1555
203	C	A	1.0231
204	Y	A	1.5831
205	S	A	1.1719
206	L	A	2.1730
207	Y	A	2.0311
208	G	A	0.4301
209	G	A	-0.1455
210	P	A	-0.7848
211	G	A	-0.8017
212	P	A	-0.1735
213	G	A	0.2818
214	V	A	1.7324
215	Y	A	1.4114
216	D	A	-0.1599
217	F	A	0.8453
218	A	A	0.4569
219	F	A	1.1448
220	R	A	-0.6773
221	D	A	-0.3032
222	L	A	0.7983
223	A	A	0.1331
224	A	A	0.1230
225	Y	A	0.1671
226	R	A	-0.6870
227	F	A	0.8719
228	H	A	-0.4772
229	N	A	-1.0632
230	I	A	0.6289
231	A	A	0.4430
232	G	A	-0.3882
233	H	A	0.2113
234	Y	A	1.5553
235	A	A	1.2596
236	A	A	1.5933
237	Y	A	2.3942
238	C	A	2.3316
239	Y	A	2.5237
240	S	A	2.0147
241	L	A	2.4096
242	Y	A	2.6420
243	G	A	1.6403
244	T	A	1.1357
245	T	A	1.4863
246	L	A	2.0816
247	A	A	1.0978
248	A	A	1.0680
249	Y	A	1.7415
250	K	A	-0.0632
251	T	A	0.4486
252	V	A	2.0792
253	L	A	0.6861
254	E	A	-0.6342
255	L	A	1.4353
256	T	A	0.5321
257	E	A	-0.3864
258	V	A	1.6631
259	A	A	0.9621
260	A	A	0.8407
261	Y	A	1.4902