Project name: ac219b1809e11

Chain sequence(s)	A: RQWVSAGRRVRQWVSAGRRVRQWVSAGRRVPENAKEKPRQWVSAGRRVPGIKADSLDIRQWVSAGRRVYKAADMWGPPNDPARQWVSAGRRVELGGTNVPAEPVSSEAQPGDPNAPSPENAKEKPPGIKADSLDIPENAKEKPELGGTNVPAEPGIKADSLDIELGGTNVPAEPVSSEAQPGDPNAPSYKAADMWGPPNDPARQWVSAGRRVYKAADMWGPPNDPAPENAKEKPYKAADMWGPPNDPAPGIKADSLDIYKAADMWGPPNDPAELGGTNVPAEYKAADMWGPPNDPAYKAADMWGPPNDPA
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:01)

• Minimal score value: -4.0489
• Maximal score value: 1.8651
• Average score: -1.0238
• Total score value: -317.377

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	R	A	-1.9598
2	Q	A	-1.0880
3	W	A	0.9623
4	V	A	1.6804
5	S	A	0.5491
6	A	A	-0.3669
7	G	A	-1.3789
8	R	A	-2.7855
9	R	A	-2.6642
10	V	A	-0.8181
11	R	A	-1.7482
12	Q	A	-0.7000
13	W	A	1.1283
14	V	A	1.0538
15	S	A	0.5355
16	A	A	-0.2960
17	G	A	-1.2409
18	R	A	-2.4925
19	R	A	-2.5345
20	V	A	-0.9112
21	R	A	-1.8015
22	Q	A	-0.6158
23	W	A	1.1093
24	V	A	1.2999
25	S	A	0.4899
26	A	A	-0.3334
27	G	A	-1.3811
28	R	A	-2.2881
29	R	A	-2.3496
30	V	A	-0.4658
31	P	A	-1.4547
32	E	A	-2.5801
33	N	A	-2.7521
34	A	A	-2.7638
35	K	A	-3.7223
36	E	A	-4.0489
37	K	A	-3.8836
38	P	A	-2.8534
39	R	A	-2.7682
40	Q	A	-1.3706
41	W	A	0.8432
42	V	A	1.1415
43	S	A	0.5292
44	A	A	-0.2664
45	G	A	-1.4126
46	R	A	-2.5499
47	R	A	-2.2415
48	V	A	-0.6565
49	P	A	-0.8822
50	G	A	-0.7373
51	I	A	-0.6003
52	K	A	-1.9294
53	A	A	-1.5049
54	D	A	-2.2883
55	S	A	-1.1477
56	L	A	-0.3524
57	D	A	-1.3643
58	I	A	0.6855
59	R	A	-1.2867
60	Q	A	-0.6292
61	W	A	1.3452
62	V	A	1.3351
63	S	A	-0.1554
64	A	A	-0.3909
65	G	A	-1.2648
66	R	A	-1.9165
67	R	A	-1.5102
68	V	A	0.7025
69	Y	A	0.3634
70	K	A	-1.0424
71	A	A	-0.1720
72	A	A	-0.5690
73	D	A	-1.2173
74	M	A	0.5143
75	W	A	0.8133
76	G	A	-0.8149
77	P	A	-1.0923
78	P	A	-1.4857
79	N	A	-2.8943
80	D	A	-3.3710
81	P	A	-2.2588
82	A	A	-1.5603
83	R	A	-2.3872
84	Q	A	-1.6344
85	W	A	0.5887
86	V	A	1.2789
87	S	A	0.0184
88	A	A	-1.0692
89	G	A	-1.4627
90	R	A	-2.4017
91	R	A	-2.2525
92	V	A	-0.3226
93	E	A	-1.1080
94	L	A	0.4638
95	G	A	-0.3888
96	G	A	-0.7561
97	T	A	-0.4553
98	N	A	-0.5116
99	V	A	0.7128
100	P	A	-0.1934
101	A	A	-0.4318
102	E	A	-1.3676
103	P	A	-0.3710
104	V	A	0.8329
105	S	A	-0.1802
106	S	A	-0.8956
107	E	A	-2.0855
108	A	A	-1.6331
109	Q	A	-2.1243
110	P	A	-1.7312
111	G	A	-1.9698
112	D	A	-2.7740
113	P	A	-1.9439
114	N	A	-2.1758
115	A	A	-1.4034
116	P	A	-1.3043
117	S	A	-1.4701
118	P	A	-1.7935
119	E	A	-2.9014
120	N	A	-2.8914
121	A	A	-2.8130
122	K	A	-3.6329
123	E	A	-3.7175
124	K	A	-3.2788
125	P	A	-1.6738
126	P	A	-1.0359
127	G	A	-0.3546
128	I	A	0.6527
129	K	A	-1.4170
130	A	A	-1.0488
131	D	A	-1.9496
132	S	A	-0.8431
133	L	A	0.6227
134	D	A	-0.6284
135	I	A	0.7098
136	P	A	-0.7657
137	E	A	-2.4064
138	N	A	-2.6450
139	A	A	-2.6698
140	K	A	-3.6359
141	E	A	-3.9323
142	K	A	-3.5367
143	P	A	-2.3728
144	E	A	-2.0185
145	L	A	0.0378
146	G	A	-0.3644
147	G	A	-0.4813
148	T	A	-0.6424
149	N	A	-0.6240
150	V	A	0.7811
151	P	A	-0.1248
152	A	A	-0.8046
153	E	A	-1.8818
154	P	A	-1.1408
155	G	A	-0.3887
156	I	A	0.6960
157	K	A	-1.3290
158	A	A	-0.9926
159	D	A	-1.9335
160	S	A	-0.7830
161	L	A	0.4847
162	D	A	-0.6369
163	I	A	0.9725
164	E	A	-0.5649
165	L	A	0.6339
166	G	A	-0.1130
167	G	A	-0.8414
168	T	A	-0.6022
169	N	A	-0.5821
170	V	A	0.8143
171	P	A	-0.1147
172	A	A	-0.4816
173	E	A	-1.4605
174	P	A	-0.3639
175	V	A	0.9608
176	S	A	0.0356
177	S	A	-0.9509
178	E	A	-2.0309
179	A	A	-1.6072
180	Q	A	-1.9944
181	P	A	-1.4403
182	G	A	-1.9476
183	D	A	-2.7069
184	P	A	-1.9166
185	N	A	-2.1016
186	A	A	-1.0633
187	P	A	-0.5434
188	S	A	-0.4095
189	Y	A	0.3116
190	K	A	-1.3243
191	A	A	-0.7244
192	A	A	-0.6485
193	D	A	-1.1244
194	M	A	0.5527
195	W	A	0.7886
196	G	A	-0.4303
197	P	A	-0.8305
198	P	A	-1.6551
199	N	A	-2.8788
200	D	A	-3.4556
201	P	A	-2.2502
202	A	A	-1.6067
203	R	A	-2.3520
204	Q	A	-1.6348
205	W	A	0.7225
206	V	A	0.9584
207	S	A	-0.5243
208	A	A	-0.5934
209	G	A	-1.0292
210	R	A	-1.9471
211	R	A	-1.8570
212	V	A	0.3355
213	Y	A	0.5017
214	K	A	-1.0125
215	A	A	-0.3490
216	A	A	-0.6766
217	D	A	-1.1619
218	M	A	0.5702
219	W	A	0.9669
220	G	A	-0.1746
221	P	A	-0.8071
222	P	A	-1.6179
223	N	A	-2.4808
224	D	A	-2.6796
225	P	A	-1.9216
226	A	A	-1.5469
227	P	A	-1.7636
228	E	A	-2.7598
229	N	A	-2.8216
230	A	A	-2.6534
231	K	A	-3.5233
232	E	A	-3.4679
233	K	A	-2.9933
234	P	A	-1.5823
235	Y	A	-0.3601
236	K	A	-1.5416
237	A	A	-0.5464
238	A	A	-0.8945
239	D	A	-1.3622
240	M	A	0.4086
241	W	A	0.8177
242	G	A	-0.5979
243	P	A	-0.9571
244	P	A	-1.3743
245	N	A	-2.4952
246	D	A	-2.6642
247	P	A	-1.3512
248	A	A	-0.6924
249	P	A	-0.5761
250	G	A	-0.1430
251	I	A	0.5479
252	K	A	-1.3574
253	A	A	-1.0623
254	D	A	-2.0103
255	S	A	-0.5797
256	L	A	0.6286
257	D	A	-0.4757
258	I	A	1.8651
259	Y	A	1.0353
260	K	A	-1.0609
261	A	A	-0.5357
262	A	A	-0.2406
263	D	A	-1.1328
264	M	A	0.3964
265	W	A	0.8467
266	G	A	-0.2361
267	P	A	-0.7331
268	P	A	-1.4291
269	N	A	-2.4988
270	D	A	-2.8480
271	P	A	-1.6790
272	A	A	-1.4368
273	E	A	-1.7691
274	L	A	-0.0441
275	G	A	-0.6739
276	G	A	-0.7132
277	T	A	-0.5860
278	N	A	-0.6143
279	V	A	0.8228
280	P	A	-0.1356
281	A	A	-0.5994
282	E	A	-1.4887
283	Y	A	-0.2067
284	K	A	-1.8042
285	A	A	-0.8803
286	A	A	-0.6701
287	D	A	-1.2628
288	M	A	0.4693
289	W	A	0.8003
290	G	A	-0.4419
291	P	A	-0.7337
292	P	A	-1.4410
293	N	A	-2.4328
294	D	A	-2.5510
295	P	A	-1.5509
296	A	A	-0.7182
297	Y	A	-0.4927
298	K	A	-1.7373
299	A	A	-0.4341
300	A	A	-0.3725
301	D	A	-1.1914
302	M	A	0.3752
303	W	A	0.8887
304	G	A	-0.3498
305	P	A	-0.4354
306	P	A	-1.4316
307	N	A	-2.4445
308	D	A	-2.6044
309	P	A	-1.5407
310	A	A	-0.5660