Project name: 13_x11e6_i20e6_i14e7_x4e7

Chain sequence(s)	A: GPGPGAEKLRHLNEKRRFHNGPGPGLDKKQRFHNIRGRWTGPGPGNPAEKLRHLNEKRRFGPGPGSKISEYRHYCYSLYGGPGPGVYDFAFRDLAAYRFHNIAGHYAAYCYSLYGTTLAAYKTVLELTEVAAYYRAHYNIVTFAAYTLQDIVLHLAAYLLMGTLGIVAAYLPARRAEPQAAYLLCHEQLSDSEEENDGPGPGQSTHVDIRTLEDLLMGPGPGTPTLHEYMLDLQPETGPGPGLQDIVLHLEPQNEIPGPGPG
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                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -4.6422
• Maximal score value: 3.4565
• Average score: -0.3191
• Total score value: -83.5936

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	-0.7317
2	P	A	-0.8214
3	G	A	-0.9419
4	P	A	-1.3108
5	G	A	-1.3629
6	A	A	-1.5916
7	E	A	-2.9360
8	K	A	-2.5546
9	L	A	-0.9253
10	R	A	-2.7747
11	H	A	-2.6808
12	L	A	-1.6111
13	N	A	-3.0173
14	E	A	-4.1069
15	K	A	-3.7812
16	R	A	-3.8167
17	R	A	-3.2547
18	F	A	-0.8781
19	H	A	-1.5181
20	N	A	-1.8101
21	G	A	-1.3098
22	P	A	-1.2291
23	G	A	-0.7884
24	P	A	-0.6563
25	G	A	-0.6302
26	L	A	-0.0428
27	D	A	-2.3394
28	K	A	-3.4010
29	K	A	-3.8166
30	Q	A	-2.9935
31	R	A	-2.0864
32	F	A	0.0244
33	H	A	-0.6768
34	N	A	-0.8575
35	I	A	0.1752
36	R	A	-1.6295
37	G	A	-1.3521
38	R	A	-1.6740
39	W	A	-0.1348
40	T	A	-0.2096
41	G	A	-0.6815
42	P	A	-0.7236
43	G	A	-0.9291
44	P	A	-1.1325
45	G	A	-1.3902
46	N	A	-1.9693
47	P	A	-1.6563
48	A	A	-1.7526
49	E	A	-3.0298
50	K	A	-2.4038
51	L	A	-0.8078
52	R	A	-2.6442
53	H	A	-2.2845
54	L	A	-0.9276
55	N	A	-2.8676
56	E	A	-4.0791
57	K	A	-3.8790
58	R	A	-3.6463
59	R	A	-2.7750
60	F	A	0.0298
61	G	A	-0.4518
62	P	A	-0.6509
63	G	A	-0.7606
64	P	A	-1.0210
65	G	A	-1.3637
66	S	A	-1.2409
67	K	A	-1.9527
68	I	A	-0.6023
69	S	A	-1.4236
70	E	A	-2.1759
71	Y	A	-0.4345
72	R	A	-1.3193
73	H	A	-0.6863
74	Y	A	1.0065
75	C	A	1.2403
76	Y	A	1.4786
77	S	A	1.1254
78	L	A	2.0041
79	Y	A	1.6949
80	G	A	0.3182
81	G	A	-0.2467
82	P	A	-0.2739
83	G	A	-0.4717
84	P	A	-0.5414
85	G	A	-0.5348
86	V	A	0.5070
87	Y	A	0.4648
88	D	A	-0.7924
89	F	A	0.3266
90	A	A	0.8035
91	F	A	1.3363
92	R	A	-0.9451
93	D	A	-0.1222
94	L	A	0.8602
95	A	A	0.2806
96	A	A	0.3110
97	Y	A	0.7100
98	R	A	-0.6023
99	F	A	1.0496
100	H	A	-0.2636
101	N	A	-0.7415
102	I	A	1.2230
103	A	A	0.6552
104	G	A	-0.2606
105	H	A	0.2965
106	Y	A	1.4213
107	A	A	1.2452
108	A	A	1.6005
109	Y	A	2.3449
110	C	A	2.4555
111	Y	A	2.5785
112	S	A	2.0589
113	L	A	2.4805
114	Y	A	2.5441
115	G	A	1.5178
116	T	A	0.9843
117	T	A	1.1176
118	L	A	1.1682
119	A	A	0.7130
120	A	A	0.6977
121	Y	A	1.0645
122	K	A	-0.1483
123	T	A	0.3123
124	V	A	1.4306
125	L	A	0.4935
126	E	A	-0.9618
127	L	A	0.1928
128	T	A	-0.4606
129	E	A	-1.3185
130	V	A	0.0005
131	A	A	-0.2090
132	A	A	-0.6257
133	Y	A	-0.2925
134	Y	A	-0.2912
135	R	A	-1.4881
136	A	A	-0.7813
137	H	A	-0.9582
138	Y	A	0.0472
139	N	A	0.1252
140	I	A	2.1830
141	V	A	2.7534
142	T	A	1.9345
143	F	A	1.8856
144	A	A	1.8527
145	A	A	1.7893
146	Y	A	1.8473
147	T	A	1.5822
148	L	A	2.1716
149	Q	A	1.0838
150	D	A	0.5647
151	I	A	2.5216
152	V	A	3.2960
153	L	A	2.7117
154	H	A	2.1395
155	L	A	3.2481
156	A	A	2.8588
157	A	A	2.7186
158	Y	A	3.4565
159	L	A	3.3956
160	L	A	3.1052
161	M	A	2.9147
162	G	A	2.3542
163	T	A	2.5501
164	L	A	3.0179
165	G	A	2.5343
166	I	A	3.4082
167	V	A	3.3121
168	A	A	2.1795
169	A	A	2.3562
170	Y	A	2.0566
171	L	A	1.1390
172	P	A	-0.5508
173	A	A	-1.1797
174	R	A	-2.7884
175	R	A	-3.1095
176	A	A	-2.4313
177	E	A	-3.1589
178	P	A	-1.6952
179	Q	A	-1.2467
180	A	A	-0.1793
181	A	A	0.5881
182	Y	A	1.0178
183	L	A	1.5296
184	L	A	1.5564
185	C	A	0.8528
186	H	A	-0.5732
187	E	A	-1.8137
188	Q	A	-1.8106
189	L	A	-0.6932
190	S	A	-2.4987
191	D	A	-3.7174
192	S	A	-2.9038
193	E	A	-3.9897
194	E	A	-4.6422
195	E	A	-4.5468
196	N	A	-3.9812
197	D	A	-3.3491
198	G	A	-2.0749
199	P	A	-1.3203
200	G	A	-1.0785
201	P	A	-1.0537
202	G	A	-1.3823
203	Q	A	-1.8068
204	S	A	-1.0454
205	T	A	-0.6580
206	H	A	-0.3954
207	V	A	1.0987
208	D	A	-0.1571
209	I	A	0.5145
210	R	A	-1.6261
211	T	A	-0.5947
212	L	A	0.2638
213	E	A	-1.3364
214	D	A	-1.2749
215	L	A	0.9397
216	L	A	1.6265
217	M	A	0.9019
218	G	A	-0.0470
219	P	A	-0.5024
220	G	A	-0.8076
221	P	A	-0.8655
222	G	A	-0.8377
223	T	A	-0.4020
224	P	A	-0.3288
225	T	A	0.1053
226	L	A	1.3321
227	H	A	-0.2367
228	E	A	-0.4853
229	Y	A	1.1983
230	M	A	1.3828
231	L	A	0.7556
232	D	A	-0.8338
233	L	A	0.5774
234	Q	A	-0.9521
235	P	A	-1.5335
236	E	A	-2.4673
237	T	A	-1.5938
238	G	A	-1.3839
239	P	A	-1.0870
240	G	A	-0.7756
241	P	A	-0.7567
242	G	A	-0.5331
243	L	A	0.9554
244	Q	A	-0.1626
245	D	A	-0.3204
246	I	A	2.4027
247	V	A	2.7549
248	L	A	1.9340
249	H	A	0.6427
250	L	A	1.0290
251	E	A	-1.4606
252	P	A	-2.0431
253	Q	A	-2.4577
254	N	A	-2.5275
255	E	A	-1.9666
256	I	A	0.3377
257	P	A	-0.2893
258	G	A	-0.5662
259	P	A	-0.6550
260	G	A	-0.9796
261	P	A	-0.8214
262	G	A	-0.7380