Project name: 17_x11e6_x4e7_i20e6_i14e7

Chain sequence(s)	A: GPGPGAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAY
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                                          (00:02:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:28)

• Minimal score value: -4.211
• Maximal score value: 3.4996
• Average score: -0.1947
• Total score value: -50.8054

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	-0.6891
2	P	A	-0.7630
3	G	A	-0.9342
4	P	A	-0.7907
5	G	A	-1.0791
6	A	A	-1.5456
7	E	A	-2.5990
8	K	A	-2.3756
9	L	A	-0.6781
10	R	A	-1.9232
11	H	A	-1.4342
12	L	A	-0.3062
13	N	A	-2.1729
14	E	A	-3.3954
15	K	A	-4.2037
16	R	A	-3.6193
17	R	A	-2.4507
18	F	A	-0.2220
19	H	A	-1.4369
20	N	A	-1.5801
21	G	A	-1.3988
22	P	A	-1.2409
23	G	A	-0.9333
24	P	A	-0.6442
25	G	A	-0.4012
26	L	A	-0.1857
27	D	A	-2.5147
28	K	A	-3.5212
29	K	A	-3.6549
30	Q	A	-3.1598
31	R	A	-2.4964
32	F	A	0.0197
33	H	A	-0.9446
34	N	A	-1.0116
35	I	A	0.1094
36	R	A	-1.8705
37	G	A	-1.5358
38	R	A	-1.7178
39	W	A	-0.0157
40	T	A	-0.1966
41	G	A	-0.6408
42	P	A	-0.6914
43	G	A	-0.9211
44	P	A	-1.0894
45	G	A	-1.3966
46	N	A	-1.8930
47	P	A	-1.4381
48	A	A	-1.2781
49	E	A	-2.5997
50	K	A	-2.2628
51	L	A	-0.7350
52	R	A	-1.8434
53	H	A	-1.4398
54	L	A	-0.2322
55	N	A	-2.4431
56	E	A	-3.4424
57	K	A	-4.0212
58	R	A	-3.7135
59	R	A	-2.3036
60	F	A	0.0908
61	G	A	-0.4649
62	P	A	-0.6327
63	G	A	-0.7268
64	P	A	-0.8670
65	G	A	-1.0019
66	S	A	-0.8918
67	K	A	-1.1690
68	I	A	0.6749
69	S	A	-0.3553
70	E	A	-1.7484
71	Y	A	-1.1951
72	R	A	-1.9537
73	H	A	-0.8631
74	Y	A	1.1196
75	C	A	1.6358
76	Y	A	2.2912
77	S	A	1.5889
78	L	A	2.3175
79	Y	A	1.7823
80	G	A	0.1398
81	G	A	-0.5822
82	P	A	-0.8101
83	G	A	-0.8887
84	P	A	-0.3512
85	G	A	0.4784
86	L	A	2.0497
87	L	A	2.0778
88	C	A	0.7821
89	H	A	-1.0751
90	E	A	-2.1782
91	Q	A	-1.7187
92	L	A	-0.1598
93	S	A	-0.8801
94	D	A	-2.1472
95	S	A	-2.2927
96	E	A	-3.6068
97	E	A	-4.1619
98	E	A	-4.2110
99	N	A	-3.6493
100	D	A	-3.3557
101	G	A	-2.1366
102	P	A	-1.3855
103	G	A	-1.1266
104	P	A	-1.1033
105	G	A	-1.3782
106	Q	A	-1.7345
107	S	A	-1.0132
108	T	A	-0.6928
109	H	A	-0.4375
110	V	A	1.0241
111	D	A	-0.1264
112	I	A	0.5415
113	R	A	-1.5450
114	T	A	-0.5624
115	L	A	0.3751
116	E	A	-1.2731
117	D	A	-1.1547
118	L	A	1.0429
119	L	A	1.6461
120	M	A	1.0135
121	G	A	-0.0090
122	P	A	-0.1831
123	G	A	-0.8408
124	P	A	-0.9258
125	G	A	-0.9012
126	T	A	-0.3401
127	P	A	-0.1861
128	T	A	-0.1131
129	L	A	0.8138
130	H	A	-0.6664
131	E	A	-0.7113
132	Y	A	1.1176
133	M	A	1.7770
134	L	A	1.4341
135	D	A	-0.1325
136	L	A	0.3567
137	Q	A	-1.2714
138	P	A	-1.6387
139	E	A	-2.2126
140	T	A	-1.5131
141	G	A	-1.2555
142	P	A	-1.0241
143	G	A	-0.7878
144	P	A	-0.6660
145	G	A	-0.5365
146	L	A	0.4341
147	Q	A	-0.6843
148	D	A	-0.3115
149	I	A	2.2138
150	V	A	2.7107
151	L	A	2.5164
152	H	A	0.7535
153	L	A	0.6195
154	E	A	-1.7208
155	P	A	-1.9470
156	Q	A	-2.3505
157	N	A	-2.5637
158	E	A	-1.8915
159	I	A	0.3776
160	P	A	-0.2372
161	G	A	-0.1495
162	P	A	0.2787
163	G	A	-0.2523
164	P	A	0.1658
165	G	A	0.6716
166	V	A	2.0733
167	Y	A	1.7557
168	D	A	0.5743
169	F	A	1.7767
170	A	A	1.1815
171	F	A	1.0679
172	R	A	-0.6801
173	D	A	-1.0595
174	L	A	0.1853
175	A	A	0.0000
176	A	A	-0.6053
177	Y	A	0.0537
178	R	A	-1.1789
179	F	A	-0.2935
180	H	A	-0.6608
181	N	A	-0.5918
182	I	A	0.9958
183	A	A	0.1821
184	G	A	-0.3317
185	H	A	0.0842
186	Y	A	1.1960
187	A	A	1.1429
188	A	A	1.1250
189	Y	A	1.9372
190	C	A	0.0000
191	Y	A	1.9020
192	S	A	1.5461
193	L	A	2.2098
194	Y	A	2.1790
195	G	A	1.0933
196	T	A	0.8320
197	T	A	0.8797
198	L	A	1.3245
199	A	A	0.5632
200	A	A	0.7763
201	Y	A	0.8271
202	K	A	-0.6434
203	T	A	-0.4160
204	V	A	0.5510
205	L	A	-0.2772
206	E	A	-1.2810
207	L	A	0.8154
208	T	A	0.1974
209	E	A	-1.0019
210	V	A	0.5743
211	A	A	0.2113
212	A	A	0.1260
213	Y	A	0.8029
214	R	A	-0.6352
215	A	A	0.0799
216	H	A	0.8342
217	Y	A	1.5855
218	N	A	1.0794
219	I	A	2.2400
220	V	A	2.3836
221	T	A	2.5068
222	F	A	3.2529
223	A	A	2.3517
224	A	A	1.8720
225	Y	A	2.6249
226	T	A	2.3716
227	L	A	2.7509
228	Q	A	1.5343
229	D	A	1.4547
230	I	A	3.2622
231	V	A	3.4996
232	L	A	2.8351
233	H	A	1.9883
234	L	A	3.1554
235	A	A	2.7970
236	A	A	2.6384
237	Y	A	3.3334
238	L	A	3.3026
239	L	A	3.3328
240	M	A	3.3218
241	G	A	2.4618
242	T	A	2.6678
243	L	A	3.4039
244	G	A	2.3513
245	I	A	3.3170
246	V	A	3.0036
247	A	A	1.9843
248	A	A	1.7547
249	Y	A	1.9419
250	L	A	0.8736
251	P	A	-0.4995
252	A	A	-1.1042
253	R	A	-2.6671
254	R	A	-3.0175
255	A	A	-2.5251
256	E	A	-3.1265
257	P	A	-1.9531
258	Q	A	-1.5829
259	A	A	-0.5109
260	A	A	0.3542
261	Y	A	1.2092