Project name: 601e979a55dbdb9

Chain sequence(s)	A: KVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE; C: KVKVGVNGFGRIGRLVTRAAFNNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE; B: KVKVGVNGFGRIGRLVTRAAFNSGKVDDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE; E: KVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE; D: MGKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE; O: KVKVGVNGFGRIGRLVTRAAFNSGKVDDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVKAENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVSVVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGIALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE
Selected Chain(s)	A,C,B,E,D,O
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:42:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:43:15)

• Minimal score value: -3.5675
• Maximal score value: 2.055
• Average score: -0.6944
• Total score value: -1388.8078

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
3	K	O	-2.4336
4	V	O	0.0000
5	K	O	-1.4246
6	V	O	0.0000
7	G	O	0.0000
8	V	O	0.0000
9	N	O	0.0000
10	G	O	0.0582
11	F	O	0.0000
12	G	O	-0.3141
13	R	O	-0.3248
14	I	O	0.0220
15	G	O	0.0000
16	R	O	0.0000
17	L	O	0.0000
18	V	O	0.0000
19	T	O	0.0000
20	R	O	0.0000
21	A	O	0.0000
22	A	O	0.0000
23	F	O	-1.1712
24	N	O	-1.8414
25	S	O	-1.4629
26	G	O	-1.8566
27	K	O	-2.3680
28	V	O	0.0000
29	D	O	-1.6696
30	I	O	0.0000
31	V	O	-0.3961
32	A	O	0.0000
33	I	O	0.0000
34	N	O	0.0000
35	D	O	0.0000
36	P	O	-0.6002
37	F	O	1.1101
38	I	O	0.0000
39	D	O	-1.3523
40	L	O	-1.4067
41	N	O	-1.5912
42	Y	O	0.1170
43	M	O	0.0000
44	V	O	-0.2794
45	Y	O	-0.1070
46	M	O	0.2182
47	F	O	0.0000
48	Q	O	-0.6221
49	Y	O	-0.4704
50	D	O	0.0000
51	S	O	-0.3635
52	T	O	-0.5305
53	H	O	-0.6398
54	G	O	-1.2293
55	K	O	-1.8067
56	F	O	0.0000
57	H	O	-1.8837
58	G	O	-1.6063
59	T	O	-1.3366
60	V	O	0.0000
61	K	O	-2.0310
62	A	O	-2.0142
63	E	O	-2.8298
64	N	O	-2.4284
65	G	O	-1.9679
66	K	O	-2.1440
67	L	O	0.0000
68	V	O	0.0000
69	I	O	0.0000
70	N	O	-2.1492
71	G	O	-1.5850
72	N	O	-1.2983
73	P	O	-1.4971
74	I	O	0.0000
75	T	O	-0.5245
76	I	O	-0.3672
77	F	O	-1.1077
78	Q	O	-1.4661
79	E	O	-2.3344
80	R	O	-2.7130
81	D	O	-2.6544
82	P	O	0.0000
83	S	O	-2.1214
84	K	O	-2.8750
85	I	O	0.0000
86	K	O	-3.0620
87	W	O	0.0000
88	G	O	-2.3136
89	D	O	-2.6138
90	A	O	-1.5214
91	G	O	-1.3137
92	A	O	0.0000
93	E	O	-1.1470
94	Y	O	0.0000
95	V	O	0.0000
96	V	O	0.0000
97	E	O	0.0000
98	S	O	0.1002
99	T	O	0.2968
100	G	O	0.4187
101	V	O	1.5056
102	F	O	0.3806
103	T	O	-0.2277
104	T	O	-0.8941
105	M	O	-1.3352
106	E	O	-2.2294
107	K	O	-1.3278
108	A	O	0.0000
109	G	O	-1.0318
110	A	O	-1.2796
111	H	O	0.0000
112	L	O	-1.1727
113	Q	O	-1.9227
114	G	O	-2.3030
115	G	O	-1.9822
116	A	O	0.0000
117	K	O	-1.8015
118	R	O	0.0000
119	V	O	0.0000
120	I	O	0.0000
121	I	O	0.0000
122	S	O	-0.0534
123	A	O	0.0797
124	P	O	-0.4865
125	S	O	-0.5741
126	A	O	-0.8110
127	D	O	-1.9314
128	A	O	0.0000
129	P	O	-0.9189
130	M	O	0.0000
131	F	O	0.0000
132	V	O	0.0000
133	M	O	0.0000
134	G	O	-0.7385
135	V	O	0.0000
136	N	O	0.0000
137	H	O	-1.8868
138	E	O	-3.0505
139	K	O	-2.9215
140	Y	O	0.0000
141	D	O	-2.6726
142	N	O	-2.0397
143	S	O	-0.9887
144	L	O	-0.7936
145	K	O	-1.3933
146	I	O	-0.7522
147	I	O	0.0000
148	S	O	0.0000
149	N	O	0.0000
150	A	O	0.0000
151	S	O	-0.0761
152	C	O	0.1219
153	T	O	0.0000
154	T	O	0.0000
155	N	O	0.0000
156	C	O	0.0000
157	L	O	0.0000
158	A	O	0.0000
159	P	O	0.0000
160	L	O	0.0000
161	A	O	0.0000
162	K	O	-1.4403
163	V	O	0.0000
164	I	O	0.0000
165	H	O	-1.9328
166	D	O	-2.2192
167	N	O	-1.9250
168	F	O	0.0000
169	G	O	-2.2293
170	I	O	0.0000
171	V	O	-1.2522
172	E	O	-1.8807
173	G	O	-0.4675
174	L	O	0.6806
175	M	O	0.0000
176	T	O	0.6158
177	T	O	0.0000
178	V	O	1.3027
179	H	O	0.0000
180	A	O	0.0000
181	I	O	0.5352
182	T	O	-0.1105
183	A	O	-0.2030
184	T	O	-0.3871
185	Q	O	-0.7055
186	K	O	-0.7563
187	T	O	0.1259
188	V	O	0.4935
189	D	O	-1.4664
190	G	O	-1.0483
191	P	O	-0.9176
192	S	O	-1.0263
193	G	O	-1.0321
194	K	O	-1.3995
195	L	O	0.0005
196	W	O	0.0665
197	R	O	-1.0254
198	D	O	-1.3283
199	G	O	0.0000
200	R	O	-0.9190
201	G	O	0.0000
202	A	O	0.0000
203	L	O	1.1266
204	Q	O	-0.2880
205	N	O	0.5704
206	I	O	1.9205
207	I	O	0.0000
208	P	O	0.3734
209	A	O	0.2222
210	S	O	-0.1027
211	T	O	-0.4519
212	G	O	-1.0636
213	A	O	0.0000
214	A	O	0.0000
215	K	O	-2.5073
216	A	O	-1.8429
217	V	O	0.0000
218	G	O	0.0000
219	K	O	-2.7244
220	V	O	0.0000
221	I	O	0.0000
222	P	O	-2.2303
223	E	O	-2.8204
224	L	O	0.0000
225	N	O	-3.1098
226	G	O	-2.5304
227	K	O	-2.1413
228	L	O	0.0000
229	T	O	-0.8040
230	G	O	0.0954
231	M	O	0.5679
232	A	O	0.0000
233	F	O	1.3934
234	R	O	0.8923
235	V	O	1.2362
236	P	O	0.6160
237	T	O	0.2775
238	A	O	0.2999
239	N	O	0.0000
240	V	O	0.0000
241	S	O	0.0000
242	V	O	0.6366
243	V	O	0.0000
244	D	O	0.0360
245	L	O	0.0000
246	T	O	0.0993
247	C	O	0.0000
248	R	O	-1.9192
249	L	O	0.0000
250	E	O	-3.1620
251	K	O	-3.1009
252	P	O	-2.7956
253	A	O	0.0000
254	K	O	-3.4072
255	Y	O	-2.0195
256	D	O	-3.1481
257	D	O	-3.1126
258	I	O	0.0000
259	K	O	-2.8558
260	K	O	-3.2764
261	V	O	-2.3356
262	V	O	0.0000
263	K	O	-2.9440
264	Q	O	-2.9400
265	A	O	-2.0532
266	S	O	-2.4554
267	E	O	-3.1375
268	G	O	-2.1294
269	P	O	-1.4212
270	L	O	0.0000
271	K	O	-2.8160
272	G	O	-1.5504
273	I	O	-0.8838
274	L	O	0.0000
275	G	O	0.0000
276	Y	O	-1.4007
277	T	O	-1.4637
278	E	O	-2.7084
279	H	O	-2.0392
280	Q	O	-1.5601
281	V	O	-0.0518
282	V	O	1.4467
283	S	O	0.7440
284	S	O	-0.0139
285	D	O	0.0000
286	F	O	0.0000
287	N	O	-0.6938
288	S	O	-0.5186
289	D	O	-0.5474
290	T	O	-0.3763
291	H	O	-0.5876
292	S	O	0.0000
293	S	O	0.0000
294	T	O	0.0000
295	F	O	0.0000
296	D	O	0.0000
297	A	O	0.0000
298	G	O	-1.0812
299	A	O	-0.2957
300	G	O	0.0000
301	I	O	2.0550
302	A	O	0.7602
303	L	O	1.1839
304	N	O	-1.1782
305	D	O	-2.9551
306	H	O	-2.2099
307	F	O	-0.5763
308	V	O	0.0000
309	K	O	0.5527
310	L	O	0.0000
311	I	O	0.2420
312	S	O	0.0000
313	W	O	0.5066
314	Y	O	0.0000
315	D	O	0.0000
316	N	O	0.0000
317	E	O	0.0000
318	F	O	0.0101
319	G	O	0.0000
320	Y	O	0.0000
321	S	O	0.0000
322	N	O	-0.3341
323	R	O	0.0000
324	V	O	0.0000
325	V	O	0.0000
326	D	O	-0.6546
327	L	O	0.0000
328	M	O	0.0000
329	A	O	-1.0204
330	H	O	-1.1642
331	M	O	0.0000
332	A	O	-1.6849
333	S	O	-1.4244
334	K	O	-2.3982
335	E	O	-2.6134
3	K	A	-2.5146
4	V	A	0.0000
5	K	A	-1.5048
6	V	A	0.0000
7	G	A	0.0000
8	V	A	0.0000
9	N	A	0.0000
10	G	A	0.0584
11	F	A	0.0000
12	G	A	-0.3196
13	R	A	-0.3281
14	I	A	0.0136
15	G	A	0.0000
16	R	A	0.0000
17	L	A	0.0000
18	V	A	0.0000
19	T	A	0.0000
20	R	A	0.0000
21	A	A	0.0000
22	A	A	0.0000
23	F	A	-1.2612
24	N	A	-1.9032
25	S	A	-1.5604
26	G	A	-1.9603
27	K	A	-2.4975
28	V	A	0.0000
29	D	A	-1.8433
30	I	A	0.0000
31	V	A	-0.3810
32	A	A	0.0000
33	I	A	0.0000
34	N	A	0.0000
35	D	A	0.0000
36	P	A	-0.4009
37	F	A	1.2038
38	I	A	0.0000
39	D	A	-1.2800
40	L	A	-1.3712
41	N	A	-1.5315
42	Y	A	0.2250
43	M	A	0.0000
44	V	A	-0.1570
45	Y	A	0.0196
46	M	A	0.2536
47	F	A	0.0000
48	Q	A	-0.5462
49	Y	A	-0.3331
50	D	A	0.0000
51	S	A	-0.2611
52	T	A	-0.5178
53	H	A	-0.6258
54	G	A	-1.1850
55	K	A	-1.7498
56	F	A	0.0000
57	H	A	-1.9190
58	G	A	-1.6903
59	T	A	-1.2702
60	V	A	0.0000
61	K	A	-1.8527
62	A	A	-1.9887
63	E	A	-2.9434
64	N	A	-2.5007
65	G	A	-1.9880
66	K	A	-2.0821
67	L	A	0.0000
68	V	A	0.0000
69	I	A	0.0000
70	N	A	-2.0828
71	G	A	-1.4855
72	N	A	-1.1690
73	P	A	-1.4195
74	I	A	0.0000
75	T	A	-0.5100
76	I	A	-0.3038
77	F	A	-0.9249
78	Q	A	-1.1026
79	E	A	-1.9710
80	R	A	-2.5287
81	D	A	-2.4448
82	P	A	0.0000
83	S	A	-1.9639
84	K	A	-2.6602
85	I	A	0.0000
86	K	A	-2.8838
87	W	A	0.0000
88	G	A	-2.0918
89	D	A	-2.5532
90	A	A	-1.4501
91	G	A	-1.2089
92	A	A	0.0000
93	E	A	-0.9390
94	Y	A	0.0000
95	V	A	0.0000
96	V	A	0.0000
97	E	A	0.0000
98	S	A	0.0999
99	T	A	0.2859
100	G	A	0.4153
101	V	A	1.4398
102	F	A	0.1834
103	T	A	-0.3125
104	T	A	-1.0717
105	M	A	0.0000
106	E	A	-2.6367
107	K	A	-1.7325
108	A	A	0.0000
109	G	A	-1.2389
110	A	A	-1.3880
111	H	A	0.0000
112	L	A	0.0000
113	Q	A	-1.5076
114	G	A	-1.9983
115	G	A	-1.5359
116	A	A	0.0000
117	K	A	-1.5331
118	R	A	0.0000
119	V	A	0.0000
120	I	A	0.0000
121	I	A	0.0000
122	S	A	-0.0537
123	A	A	0.0832
124	P	A	-0.3985
125	S	A	-0.4395
126	A	A	-0.5798
127	D	A	-1.6108
128	A	A	0.0000
129	P	A	-0.7935
130	M	A	0.0000
131	F	A	0.0000
132	V	A	0.0000
133	M	A	0.0000
134	G	A	-0.6258
135	V	A	-0.5032
136	N	A	0.0000
137	H	A	-1.7235
138	E	A	-2.9588
139	K	A	-2.8640
140	Y	A	0.0000
141	D	A	-2.4082
142	N	A	-1.7502
143	S	A	0.0000
144	L	A	0.0000
145	K	A	-0.5898
146	I	A	0.0000
147	I	A	0.0000
148	S	A	0.0000
149	N	A	0.0000
150	A	A	0.0000
151	S	A	-0.0781
152	C	A	0.1190
153	T	A	0.0000
154	T	A	0.0000
155	N	A	0.0000
156	C	A	0.0000
157	L	A	0.0000
158	A	A	0.0000
159	P	A	0.0000
160	L	A	0.0000
161	A	A	0.0000
162	K	A	-1.3898
163	V	A	0.0000
164	I	A	0.0000
165	H	A	-1.9066
166	D	A	-2.1966
167	N	A	-1.8565
168	F	A	0.0000
169	G	A	-2.2100
170	I	A	0.0000
171	V	A	-1.0426
172	E	A	-1.5869
173	G	A	0.0000
174	L	A	0.7246
175	M	A	0.0000
176	T	A	0.5866
177	T	A	0.0000
178	V	A	1.2387
179	H	A	0.0000
180	A	A	0.0000
181	I	A	0.7856
182	T	A	-0.0346
183	A	A	-0.1166
184	T	A	-0.2489
185	Q	A	0.0000
186	K	A	-0.5438
187	T	A	0.1784
188	V	A	0.4710
189	D	A	-1.6018
190	G	A	-1.1239
191	P	A	-0.9795
192	S	A	-1.0965
193	G	A	-1.0706
194	K	A	-1.4351
195	L	A	-0.1342
196	W	A	-0.0801
197	R	A	-1.1791
198	D	A	-1.3199
199	G	A	0.0000
200	R	A	-1.2686
201	G	A	0.0000
202	A	A	0.0000
203	L	A	1.0304
204	Q	A	-0.3764
205	N	A	0.5498
206	I	A	1.9388
207	I	A	0.0000
208	P	A	0.3903
209	A	A	0.2369
210	S	A	-0.0824
211	T	A	-0.4604
212	G	A	-1.0740
213	A	A	0.0000
214	A	A	0.0000
215	K	A	-2.5503
216	A	A	-1.8620
217	V	A	0.0000
218	G	A	0.0000
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248	R	E	-1.2045
249	L	E	0.0000
250	E	E	-2.8469
251	K	E	-2.9086
252	P	E	-2.6286
253	A	E	0.0000
254	K	E	-3.0772
255	Y	E	-2.2741
256	D	E	-2.9955
257	D	E	-2.8212
258	I	E	0.0000
259	K	E	-2.7116
260	K	E	-3.0535
261	V	E	-2.3503
262	V	E	0.0000
263	K	E	-3.0433
264	Q	E	-3.1083
265	A	E	-2.2087
266	S	E	-2.6189
267	E	E	-3.2289
268	G	E	-2.2326
269	P	E	-1.4533
270	L	E	0.0000
271	K	E	-2.8248
272	G	E	-1.4511
273	I	E	-0.8225
274	L	E	0.0000
275	G	E	0.0000
276	Y	E	-1.5055
277	T	E	-1.4248
278	E	E	-2.4688
279	H	E	-2.0650
280	Q	E	-1.2877
281	V	E	0.0000
282	V	E	0.0000
283	S	E	0.0000
284	S	E	-0.4670
285	D	E	0.0000
286	F	E	0.0000
287	N	E	-0.7865
288	S	E	-0.5059
289	D	E	-0.5438
290	T	E	-0.3553
291	H	E	-0.5784
292	S	E	0.0000
293	S	E	0.0000
294	T	E	0.0000
295	F	E	0.0000
296	D	E	0.0000
297	A	E	0.0000
298	G	E	-1.2442
299	A	E	-0.5972
300	G	E	0.0552
301	I	E	0.3401
302	A	E	-0.4633
303	L	E	-0.6961
304	N	E	-1.8513
305	D	E	-3.0656
306	H	E	-2.3673
307	F	E	0.0000
308	V	E	0.0000
309	K	E	0.0000
310	L	E	0.0000
311	I	E	0.0000
312	S	E	0.0000
313	W	E	0.0000
314	Y	E	0.0000
315	D	E	0.0000
316	N	E	0.0000
317	E	E	0.0000
318	F	E	0.0202
319	G	E	0.0000
320	Y	E	0.0000
321	S	E	0.0000
322	N	E	-0.4620
323	R	E	0.0000
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325	V	E	0.0000
326	D	E	-0.6747
327	L	E	0.0000
328	M	E	0.0000
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330	H	E	-1.6648
331	M	E	0.0000
332	A	E	0.0000
333	S	E	-1.7634
334	K	E	-2.8957
335	E	E	-2.8624