Project name: seed4

Chain sequence(s)	A: NASCEYSASHKQDLLLGSTGSISCPSLSCQSDAQSPAVTWYKNGKLLSVERSNRIVVDEVYDYHQGTYVCDYTQSDTVSSWTVRAVVQVRTIVGDTKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALGAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK; B: NASCEYSASHKQDLLLGSTGSISCPSLSCQSDAQSPAVTWYKNGKLLSVERSNRIVVDEVYDYHQGTYVCDYTQSDTVSSWTVRAVVQVRTIVGDTKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALGAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:02)

• Minimal score value: -3.7345
• Maximal score value: 1.7715
• Average score: -0.7159
• Total score value: -463.9134

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	N	A	-1.1934
2	A	A	-0.6337
3	S	A	-0.4567
4	C	A	0.1354
5	E	A	-0.7755
6	Y	A	0.6641
7	S	A	0.3308
8	A	A	0.2549
9	S	A	0.0000
10	H	A	0.0000
11	K	A	0.0000
12	Q	A	0.0000
13	D	A	0.4188
14	L	A	0.0000
15	L	A	1.4063
16	L	A	1.1839
17	G	A	-0.2319
18	S	A	-0.3172
19	T	A	-0.6553
20	G	A	-0.2014
21	S	A	-0.0454
22	I	A	0.0000
23	S	A	-0.2778
24	C	A	0.0000
25	P	A	0.0000
26	S	A	-0.1567
27	L	A	0.0000
28	S	A	-0.0388
29	C	A	0.3375
30	Q	A	-0.6847
31	S	A	-1.3320
32	D	A	-2.1188
33	A	A	-1.6265
34	Q	A	-1.9800
35	S	A	0.0000
36	P	A	-0.8592
37	A	A	-0.6282
38	V	A	0.0000
39	T	A	0.0000
40	W	A	0.0000
41	Y	A	0.0000
42	K	A	-0.7575
43	N	A	-1.4135
44	G	A	-1.1973
45	K	A	-0.7956
46	L	A	0.0640
47	L	A	0.2963
48	S	A	0.0628
49	V	A	0.0000
50	E	A	-0.8214
51	R	A	-1.5132
52	S	A	-1.4131
53	N	A	0.0000
54	R	A	-1.1156
55	I	A	0.0000
56	V	A	0.7501
57	V	A	0.0000
58	D	A	-1.8218
59	E	A	-1.3830
60	V	A	0.0000
61	Y	A	0.3888
62	D	A	-0.3382
63	Y	A	0.5868
64	H	A	-0.1381
65	Q	A	-0.3979
66	G	A	-0.6100
67	T	A	-0.6664
68	Y	A	0.0000
69	V	A	0.0000
70	C	A	0.0000
71	D	A	0.0000
72	Y	A	0.0000
73	T	A	-0.3654
74	Q	A	-0.5924
75	S	A	-0.3175
76	D	A	0.0000
77	T	A	0.0000
78	V	A	0.1092
79	S	A	0.0000
80	S	A	0.0000
81	W	A	0.0000
82	T	A	-0.4757
83	V	A	0.0000
84	R	A	-1.3692
85	A	A	0.0000
86	V	A	-0.2607
87	V	A	0.0000
88	Q	A	-0.4166
89	V	A	0.0000
90	R	A	-0.3869
91	T	A	0.6947
92	I	A	1.7715
93	V	A	1.5257
94	G	A	-0.1093
95	D	A	-2.0960
96	T	A	-2.2257
97	K	A	-3.4153
98	D	A	-3.7345
99	K	A	-3.3639
100	T	A	-1.9702
101	H	A	-1.6423
102	T	A	-0.5797
103	C	A	0.1260
104	P	A	-0.2586
105	P	A	0.1082
106	C	A	0.4800
107	P	A	-0.3122
108	A	A	-0.5658
109	P	A	-1.1619
110	E	A	-2.1422
111	A	A	-1.0666
112	A	A	-0.9246
113	G	A	-0.8676
114	G	A	-0.9910
115	P	A	0.0000
116	S	A	-0.4352
117	V	A	0.0000
118	F	A	-0.0187
119	L	A	0.0000
120	F	A	0.0000
121	P	A	0.0000
122	P	A	0.0000
123	K	A	-1.6307
124	P	A	-0.9489
125	K	A	-0.8853
126	D	A	0.0000
127	T	A	0.0000
128	L	A	0.0000
129	M	A	0.3725
130	I	A	1.3876
131	S	A	0.1938
132	R	A	-0.8010
133	T	A	-0.4396
134	P	A	0.0000
135	E	A	-0.6863
136	V	A	0.0000
137	T	A	-0.2580
138	C	A	0.0000
139	V	A	0.0000
140	V	A	0.0000
141	V	A	0.0000
142	D	A	-1.0149
143	V	A	0.0000
144	S	A	-2.2131
145	H	A	-2.6144
146	E	A	-2.9769
147	D	A	-2.6045
148	P	A	-2.5910
149	E	A	-3.0891
150	V	A	-1.9643
151	K	A	-2.2516
152	F	A	-1.3002
153	N	A	-1.0774
154	W	A	0.0000
155	Y	A	-0.7664
156	V	A	-1.0978
157	D	A	-2.3673
158	G	A	-1.0105
159	V	A	0.5166
160	E	A	-0.6522
161	V	A	-0.5141
162	H	A	-1.8367
163	N	A	-2.1212
164	A	A	-1.7249
165	K	A	-2.2059
166	T	A	-1.8137
167	K	A	-1.9373
168	P	A	-1.8610
169	R	A	-2.5355
170	E	A	-1.8215
171	E	A	-2.4994
172	Q	A	0.0000
173	Y	A	-0.4397
174	N	A	-1.2118
175	S	A	-1.1047
176	T	A	-1.6641
177	Y	A	0.0000
178	R	A	0.0000
179	V	A	0.0000
180	V	A	0.0000
181	S	A	0.0000
182	V	A	0.0000
183	L	A	0.0000
184	T	A	-0.4417
185	V	A	0.0000
186	L	A	0.7479
187	H	A	0.0000
188	Q	A	-1.0203
189	D	A	-1.4076
190	W	A	0.0000
191	L	A	-0.9790
192	N	A	-2.1325
193	G	A	-2.2766
194	K	A	-2.4353
195	E	A	-2.6692
196	Y	A	0.0000
197	K	A	-1.5651
198	C	A	0.0000
199	K	A	-1.1745
200	V	A	0.0000
201	S	A	-1.4199
202	N	A	0.0000
203	K	A	-2.5723
204	A	A	-1.4326
205	L	A	-0.8822
206	G	A	-0.9011
207	A	A	-0.6600
208	P	A	-0.7783
209	I	A	-0.5505
210	E	A	-1.1603
211	K	A	-0.9091
212	T	A	-1.0402
213	I	A	-0.5009
214	S	A	-1.4179
215	K	A	0.0000
216	A	A	0.0000
217	K	A	-2.3125
218	G	A	-1.9347
219	Q	A	-2.1189
220	P	A	-1.6933
221	R	A	-1.9728
222	E	A	-2.5317
223	P	A	0.0000
224	Q	A	-1.1602
225	V	A	0.0000
226	Y	A	0.0000
227	T	A	-0.7643
228	L	A	0.0000
229	P	A	-0.3925
230	P	A	-0.8559
231	S	A	0.0000
232	R	A	-2.6508
233	D	A	-2.7630
234	E	A	0.0000
235	L	A	-1.7452
236	T	A	-1.4833
237	K	A	-1.9787
238	N	A	-2.3220
239	Q	A	-2.0716
240	V	A	0.0000
241	S	A	0.0000
242	L	A	0.0000
243	T	A	0.0000
244	C	A	0.0000
245	L	A	0.0000
246	V	A	0.0000
247	K	A	-0.6260
248	G	A	-1.1282
249	F	A	0.0000
250	Y	A	-1.0516
251	P	A	0.0000
252	S	A	0.0000
253	D	A	0.0000
254	I	A	0.0000
255	A	A	-0.4071
256	V	A	0.0000
257	E	A	-1.1752
258	W	A	0.0000
259	E	A	-1.6562
260	S	A	0.0000
261	N	A	-1.8629
262	G	A	-1.7438
263	Q	A	-2.2275
264	P	A	-1.8338
265	E	A	0.0000
266	N	A	-2.0103
267	N	A	-1.2396
268	Y	A	-0.7392
269	K	A	0.0000
270	T	A	-0.2314
271	T	A	0.0000
272	P	A	-0.0483
273	P	A	0.0261
274	V	A	0.0419
275	L	A	-0.4230
276	D	A	-0.9301
277	S	A	-1.5118
278	D	A	-1.9956
279	G	A	-1.2092
280	S	A	0.0000
281	F	A	0.0000
282	F	A	0.0000
283	L	A	0.0000
284	Y	A	0.0000
285	S	A	0.0000
286	K	A	0.0000
287	L	A	0.0000
288	T	A	-0.6929
289	V	A	0.0000
290	D	A	-2.2970
291	K	A	-2.4520
292	S	A	-2.1527
293	R	A	-1.9868
294	W	A	0.0000
295	Q	A	-2.3588
296	Q	A	-2.1839
297	G	A	-1.2876
298	N	A	-0.9189
299	V	A	0.0112
300	F	A	0.0000
301	S	A	0.0000
302	C	A	0.0000
303	S	A	0.0000
304	V	A	0.0000
305	M	A	0.0000
306	H	A	0.0000
307	E	A	-1.0163
308	A	A	-1.4965
309	L	A	-1.3784
310	H	A	-1.7370
311	N	A	-1.4225
312	H	A	-0.9094
313	Y	A	-0.3314
314	T	A	-0.5751
315	Q	A	-0.8904
316	K	A	-0.9520
317	S	A	-0.4912
318	L	A	0.0000
319	S	A	-0.2287
320	L	A	-0.3936
321	S	A	-0.6396
322	P	A	-1.2532
323	G	A	-1.4228
324	K	A	-2.0341
1	N	B	-1.2010
2	A	B	-0.6717
3	S	B	-0.4979
4	C	B	0.0971
5	E	B	-0.8152
6	Y	B	0.6375
7	S	B	0.2948
8	A	B	0.1465
9	S	B	-0.2411
10	H	B	0.0000
11	K	B	0.0000
12	Q	B	0.0000
13	D	B	-0.1002
14	L	B	0.0000
15	L	B	0.9283
16	L	B	0.7984
17	G	B	-0.3565
18	S	B	-0.4078
19	T	B	-0.6995
20	G	B	-0.1822
21	S	B	0.1038
22	I	B	0.0000
23	S	B	-0.0351
24	C	B	0.0000
25	P	B	0.0000
26	S	B	-0.0301
27	L	B	0.0000
28	S	B	0.0316
29	C	B	0.4153
30	Q	B	-0.5346
31	S	B	-1.1896
32	D	B	-1.8103
33	A	B	-1.5800
34	Q	B	-1.9857
35	S	B	0.0000
36	P	B	-0.7010
37	A	B	-0.5006
38	V	B	0.0000
39	T	B	-0.0353
40	W	B	0.0000
41	Y	B	0.0000
42	K	B	-1.4809
43	N	B	-2.1618
44	G	B	-1.9939
45	K	B	-2.1586
46	L	B	-0.6801
47	L	B	-0.0844
48	S	B	0.0301
49	V	B	0.0000
50	E	B	-0.5194
51	R	B	-1.0472
52	S	B	-0.9123
53	N	B	0.0000
54	R	B	-0.4585
55	I	B	0.0000
56	V	B	0.9257
57	V	B	0.0000
58	D	B	-1.8013
59	E	B	-1.3839
60	V	B	0.0000
61	Y	B	0.2378
62	D	B	-0.7337
63	Y	B	0.3479
64	H	B	-0.4718
65	Q	B	-1.3537
66	G	B	-1.1618
67	T	B	-1.1197
68	Y	B	0.0000
69	V	B	-0.2473
70	C	B	0.0000
71	D	B	0.0000
72	Y	B	0.0000
73	T	B	-0.1889
74	Q	B	-0.4520
75	S	B	-0.3086
76	D	B	0.0000
77	T	B	0.0000
78	V	B	-0.2186
79	S	B	0.0000
80	S	B	-0.0082
81	W	B	0.0000
82	T	B	0.0000
83	V	B	0.0000
84	R	B	-0.2692
85	A	B	0.0000
86	V	B	0.1946
87	V	B	0.0000
88	Q	B	-0.8649
89	V	B	0.0000
90	R	B	-1.3519
91	T	B	-0.0457
92	I	B	1.0381
93	V	B	1.2441
94	G	B	-0.1454
95	D	B	-2.1594
96	T	B	-2.2170
97	K	B	-3.4088
98	D	B	-3.7095
99	K	B	-3.3448
100	T	B	-1.9422
101	H	B	-1.6186
102	T	B	-0.5535
103	C	B	0.3361
104	P	B	-0.0342
105	P	B	0.1052
106	C	B	0.5042
107	P	B	-0.3063
108	A	B	-0.5424
109	P	B	-1.0811
110	E	B	-1.9994
111	A	B	-1.0475
112	A	B	-0.8866
113	G	B	-0.8095
114	G	B	-0.8923
115	P	B	0.0000
116	S	B	-0.3631
117	V	B	0.0000
118	F	B	-0.3640
119	L	B	0.0000
120	F	B	-0.0688
121	P	B	0.0000
122	P	B	0.0000
123	K	B	-1.8252
124	P	B	0.0000
125	K	B	-0.9878
126	D	B	-1.2003
127	T	B	0.0000
128	L	B	0.0000
129	M	B	0.2776
130	I	B	1.2974
131	S	B	0.1002
132	R	B	-1.0454
133	T	B	-0.6932
134	P	B	0.0000
135	E	B	-1.1771
136	V	B	0.0000
137	T	B	-0.2649
138	C	B	0.0000
139	V	B	0.0000
140	V	B	0.0000
141	V	B	0.0000
142	D	B	-0.8381
143	V	B	0.0000
144	S	B	-1.9608
145	H	B	-2.5967
146	E	B	-2.9748
147	D	B	-2.6019
148	P	B	-2.5840
149	E	B	-3.0951
150	V	B	-1.9703
151	K	B	-2.2538
152	F	B	-1.4023
153	N	B	-1.1800
154	W	B	0.0000
155	Y	B	-0.8025
156	V	B	-1.0344
157	D	B	-2.2664
158	G	B	-0.9818
159	V	B	0.4995
160	E	B	-0.7397
161	V	B	-0.5740
162	H	B	-1.8962
163	N	B	-2.1716
164	A	B	-1.8816
165	K	B	-2.4624
166	T	B	-2.0358
167	K	B	-2.2783
168	P	B	-2.0628
169	R	B	-2.6713
170	E	B	-1.8336
171	E	B	-2.3296
172	Q	B	0.0000
173	Y	B	0.3929
174	N	B	-0.5576
175	S	B	-0.7958
176	T	B	-1.4109
177	Y	B	0.0000
178	R	B	0.0000
179	V	B	0.0000
180	V	B	0.0000
181	S	B	0.0000
182	V	B	-1.0282
183	L	B	0.0000
184	T	B	-0.6532
185	V	B	0.0000
186	L	B	0.6780
187	H	B	0.0000
188	Q	B	-1.0891
189	D	B	-1.3504
190	W	B	0.0000
191	L	B	-0.9250
192	N	B	-2.0413
193	G	B	-2.0621
194	K	B	-2.2238
195	E	B	-2.3811
196	Y	B	0.0000
197	K	B	-1.6957
198	C	B	0.0000
199	K	B	-1.5733
200	V	B	0.0000
201	S	B	-1.5446
202	N	B	0.0000
203	K	B	-2.5664
204	A	B	-1.4242
205	L	B	-0.8661
206	G	B	-0.8881
207	A	B	-0.7390
208	P	B	-1.0579
209	I	B	-1.1136
210	E	B	-2.0460
211	K	B	-1.6220
212	T	B	-1.4321
213	I	B	-0.6727
214	S	B	-1.2156
215	K	B	0.0000
216	A	B	0.0000
217	K	B	-2.2492
218	G	B	-1.9024
219	Q	B	-2.1289
220	P	B	-1.7167
221	R	B	-2.0179
222	E	B	-2.5774
223	P	B	0.0000
224	Q	B	-1.1520
225	V	B	0.0000
226	Y	B	0.0000
227	T	B	-0.7762
228	L	B	0.0000
229	P	B	-0.4049
230	P	B	-0.8850
231	S	B	0.0000
232	R	B	-2.6727
233	D	B	-2.8124
234	E	B	0.0000
235	L	B	-1.8732
236	T	B	-1.6049
237	K	B	-2.1686
238	N	B	-2.4073
239	Q	B	-2.1586
240	V	B	0.0000
241	S	B	0.0000
242	L	B	0.0000
243	T	B	0.0000
244	C	B	0.0000
245	L	B	0.0000
246	V	B	0.0000
247	K	B	-0.6460
248	G	B	-1.1516
249	F	B	0.0000
250	Y	B	-1.0216
251	P	B	0.0000
252	S	B	0.0000
253	D	B	0.0000
254	I	B	0.0000
255	A	B	-0.4393
256	V	B	0.0000
257	E	B	-1.1494
258	W	B	0.0000
259	E	B	-1.7571
260	S	B	0.0000
261	N	B	-1.8819
262	G	B	-1.7727
263	Q	B	-2.2822
264	P	B	-1.9575
265	E	B	-1.8472
266	N	B	-2.1448
267	N	B	-1.3800
268	Y	B	-0.8282
269	K	B	-0.6409
270	T	B	-0.1604
271	T	B	0.0000
272	P	B	-0.1006
273	P	B	0.0000
274	V	B	0.0000
275	L	B	-0.4792
276	D	B	-1.0131
277	S	B	-1.4634
278	D	B	-2.0725
279	G	B	-1.2761
280	S	B	0.0000
281	F	B	0.0000
282	F	B	0.0000
283	L	B	0.0000
284	Y	B	0.0000
285	S	B	0.0000
286	K	B	0.0000
287	L	B	0.0000
288	T	B	-0.7349
289	V	B	0.0000
290	D	B	-2.1460
291	K	B	-2.3788
292	S	B	-2.0546
293	R	B	-1.8579
294	W	B	0.0000
295	Q	B	-2.3084
296	Q	B	-2.1452
297	G	B	-1.2593
298	N	B	-0.8558
299	V	B	0.0207
300	F	B	0.0000
301	S	B	0.0000
302	C	B	0.0000
303	S	B	0.0000
304	V	B	0.0000
305	M	B	0.0000
306	H	B	0.0000
307	E	B	-0.9878
308	A	B	-1.5556
309	L	B	0.0000
310	H	B	-1.8239
311	N	B	-1.4767
312	H	B	-0.9821
313	Y	B	-0.4507
314	T	B	0.0000
315	Q	B	-0.9484
316	K	B	-1.0032
317	S	B	-0.5223
318	L	B	0.0000
319	S	B	-0.2440
320	L	B	-0.4457
321	S	B	-0.6730
322	P	B	-1.2697
323	G	B	-1.4336
324	K	B	-2.0345