Project name: seed5

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                                          (00:12:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:41)

• Minimal score value: -3.969
• Maximal score value: 1.8216
• Average score: -0.7188
• Total score value: -465.7544

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	-1.2091
2	A	A	-0.7457
3	S	A	-0.6049
4	C	A	-0.1287
5	E	A	-0.8937
6	Y	A	0.4775
7	S	A	-0.0247
8	A	A	-0.1744
9	S	A	-0.4360
10	H	A	-0.8901
11	K	A	-1.2894
12	Q	A	-1.1494
13	D	A	-0.7649
14	L	A	0.0000
15	L	A	1.0750
16	L	A	1.1251
17	G	A	-0.1092
18	S	A	-0.1797
19	T	A	-0.8158
20	G	A	-0.2685
21	S	A	-0.0657
22	I	A	0.0000
23	S	A	-0.3577
24	C	A	0.0000
25	P	A	0.0000
26	S	A	0.1129
27	L	A	0.0000
28	S	A	-0.2274
29	C	A	0.1062
30	Q	A	-1.0159
31	S	A	-1.3462
32	D	A	-2.2251
33	A	A	-1.9179
34	Q	A	-2.1365
35	S	A	0.0000
36	P	A	-1.1644
37	A	A	-0.6102
38	V	A	0.0000
39	T	A	0.0000
40	W	A	0.0000
41	Y	A	0.0000
42	K	A	-0.4031
43	N	A	-0.5086
44	G	A	-0.2673
45	K	A	-0.1966
46	L	A	0.6333
47	L	A	0.7498
48	S	A	0.5197
49	V	A	0.6006
50	E	A	-0.1018
51	R	A	-1.0656
52	S	A	-0.9240
53	N	A	0.0000
54	R	A	-0.6852
55	I	A	0.2669
56	V	A	0.6391
57	V	A	0.0000
58	D	A	-2.1450
59	E	A	-1.2458
60	V	A	0.0000
61	Y	A	-0.4052
62	D	A	-0.5121
63	Y	A	-0.6318
64	H	A	0.0000
65	Q	A	-1.5288
66	G	A	-0.9170
67	T	A	0.0000
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	-0.3090
74	Q	A	-1.0159
75	S	A	-0.9616
76	D	A	-1.2069
77	T	A	-0.0114
78	V	A	1.1710
79	S	A	0.1148
80	S	A	-0.2674
81	W	A	-0.0973
82	T	A	-0.0505
83	V	A	0.0720
84	R	A	-0.1737
85	A	A	0.0000
86	V	A	0.0000
87	V	A	0.0000
88	Q	A	-1.0857
89	V	A	0.0000
90	R	A	-1.3477
91	T	A	-0.0224
92	I	A	1.0721
93	V	A	1.7129
94	G	A	-0.0156
95	D	A	-2.3055
96	T	A	-2.4375
97	K	A	-3.6879
98	D	A	-3.9509
99	K	A	-3.5293
100	T	A	-2.0409
101	H	A	-1.6361
102	T	A	-1.0153
103	C	A	0.1246
104	P	A	-0.0285
105	P	A	0.2836
106	C	A	0.4706
107	P	A	-0.4717
108	A	A	-0.7166
109	P	A	-1.1338
110	E	A	-2.1176
111	A	A	-1.3636
112	A	A	-0.9375
113	G	A	-0.9944
114	G	A	-0.8645
115	P	A	0.0000
116	S	A	-0.2447
117	V	A	0.0000
118	F	A	-0.2259
119	L	A	0.0000
120	F	A	0.0000
121	P	A	-0.1359
122	P	A	0.0000
123	K	A	0.0000
124	P	A	-0.3690
125	K	A	-0.0203
126	D	A	0.0000
127	T	A	0.0000
128	L	A	0.0000
129	M	A	0.8517
130	I	A	1.8015
131	S	A	0.8256
132	R	A	0.0000
133	T	A	0.4242
134	P	A	0.0000
135	E	A	-0.3337
136	V	A	0.0000
137	T	A	0.0000
138	C	A	0.0000
139	V	A	0.0000
140	V	A	0.0000
141	V	A	0.0000
142	D	A	-1.1786
143	V	A	0.0000
144	S	A	-2.0429
145	H	A	-2.6059
146	E	A	-2.9796
147	D	A	-2.6064
148	P	A	-2.6165
149	E	A	-3.0822
150	V	A	-1.9431
151	K	A	-2.2326
152	F	A	-1.4188
153	N	A	-1.1512
154	W	A	0.0000
155	Y	A	-0.7123
156	V	A	-0.9875
157	D	A	-2.2181
158	G	A	-0.9548
159	V	A	0.5166
160	E	A	-0.7334
161	V	A	-0.5728
162	H	A	-1.8898
163	N	A	-2.1856
164	A	A	-1.8254
165	K	A	-2.4282
166	T	A	-1.9159
167	K	A	-2.0162
168	P	A	-1.9258
169	R	A	-2.6186
170	E	A	-2.3481
171	E	A	-2.8030
172	Q	A	0.0000
173	Y	A	-1.0141
174	N	A	-1.4897
175	S	A	-1.2455
176	T	A	0.0000
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	-0.4662
185	V	A	0.0000
186	L	A	0.6765
187	H	A	0.0636
188	Q	A	-1.1471
189	D	A	-1.3848
190	W	A	0.0000
191	L	A	-0.9422
192	N	A	-1.9977
193	G	A	-1.9865
194	K	A	-2.2193
195	E	A	-2.3201
196	Y	A	0.0000
197	K	A	-1.6715
198	C	A	0.0000
199	K	A	-1.4701
200	V	A	0.0000
201	S	A	-1.4867
202	N	A	0.0000
203	K	A	-2.6071
204	A	A	-1.5208
205	L	A	-0.7433
206	G	A	-0.7167
207	A	A	-0.5184
208	P	A	-0.9281
209	I	A	-0.6774
210	E	A	-1.9221
211	K	A	-1.2454
212	T	A	-1.2582
213	I	A	0.0000
214	S	A	-1.4688
215	K	A	0.0000
216	A	A	-1.3450
217	K	A	-2.2774
218	G	A	-1.9810
219	Q	A	-2.1928
220	P	A	-1.9150
221	R	A	-2.4626
222	E	A	-2.7773
223	P	A	0.0000
224	Q	A	-1.2498
225	V	A	0.0000
226	Y	A	0.0000
227	T	A	-0.8317
228	L	A	0.0000
229	P	A	-0.3543
230	P	A	0.0000
231	S	A	0.0000
232	R	A	-2.3543
233	D	A	-2.2185
234	E	A	0.0000
235	L	A	-1.5524
236	T	A	-1.3930
237	K	A	-2.0351
238	N	A	-2.3899
239	Q	A	-2.1548
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	-0.6843
248	G	A	-1.2508
249	F	A	0.0000
250	Y	A	-1.3912
251	P	A	0.0000
252	S	A	-0.5247
253	D	A	-0.8413
254	I	A	-0.3243
255	A	A	-0.1537
256	V	A	0.0000
257	E	A	-1.0838
258	W	A	0.0000
259	E	A	-1.9407
260	S	A	0.0000
261	N	A	-1.9322
262	G	A	-1.8151
263	Q	A	-2.3328
264	P	A	-1.9994
265	E	A	-1.9663
266	N	A	-2.3416
267	N	A	-1.7071
268	Y	A	0.0000
269	K	A	0.0000
270	T	A	-0.0717
271	T	A	0.0000
272	P	A	0.0962
273	P	A	-0.0835
274	V	A	0.0000
275	L	A	-0.1045
276	D	A	-0.9857
277	S	A	-1.5419
278	D	A	-2.1039
279	G	A	-1.1381
280	S	A	0.0000
281	F	A	-0.4159
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	-0.8561
289	V	A	0.0000
290	D	A	-2.2609
291	K	A	-2.4059
292	S	A	-2.1575
293	R	A	-1.9993
294	W	A	0.0000
295	Q	A	-2.3493
296	Q	A	-2.1949
297	G	A	-1.3631
298	N	A	-0.9904
299	V	A	-0.0262
300	F	A	0.0000
301	S	A	-1.1296
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	-1.0812
308	A	A	-1.6046
309	L	A	-1.4342
310	H	A	-1.7344
311	N	A	-1.4374
312	H	A	-0.8691
313	Y	A	-0.4970
314	T	A	-0.9209
315	Q	A	-1.5707
316	K	A	-1.2996
317	S	A	-0.6813
318	L	A	0.0000
319	S	A	-0.3033
320	L	A	-0.5265
321	S	A	-0.7724
322	P	A	-1.0250
323	G	A	-1.4350
324	K	A	-2.0293
1	N	B	-1.2053
2	A	B	-0.7434
3	S	B	-0.6201
4	C	B	-0.1756
5	E	B	-0.9203
6	Y	B	0.4425
7	S	B	-0.0593
8	A	B	-0.1955
9	S	B	-0.4078
10	H	B	-0.8912
11	K	B	-1.2675
12	Q	B	-1.0775
13	D	B	-0.6921
14	L	B	0.0000
15	L	B	0.7611
16	L	B	0.9380
17	G	B	-0.0692
18	S	B	-0.2480
19	T	B	-0.4936
20	G	B	-0.0921
21	S	B	0.0482
22	I	B	0.0000
23	S	B	-0.2571
24	C	B	0.0000
25	P	B	0.0000
26	S	B	-0.1011
27	L	B	0.0000
28	S	B	-0.2199
29	C	B	-0.0476
30	Q	B	-1.0509
31	S	B	-1.1762
32	D	B	-1.6525
33	A	B	-1.6335
34	Q	B	-1.9484
35	S	B	0.0000
36	P	B	-0.9810
37	A	B	-0.4513
38	V	B	0.0000
39	T	B	0.0000
40	W	B	0.0000
41	Y	B	0.0000
42	K	B	-0.4448
43	N	B	-0.5459
44	G	B	-0.3508
45	K	B	-0.4250
46	L	B	0.6254
47	L	B	0.7014
48	S	B	0.4653
49	V	B	0.5124
50	E	B	-0.0050
51	R	B	0.0000
52	S	B	0.0000
53	N	B	0.0000
54	R	B	-0.2856
55	I	B	0.4177
56	V	B	0.6974
57	V	B	0.0000
58	D	B	-1.0994
59	E	B	-0.7600
60	V	B	0.0000
61	Y	B	-0.3510
62	D	B	-0.6037
63	Y	B	-0.6637
64	H	B	0.0000
65	Q	B	-1.5189
66	G	B	-0.9081
67	T	B	0.0000
68	Y	B	0.0000
69	V	B	0.0000
70	C	B	0.0000
71	D	B	0.0000
72	Y	B	0.0000
73	T	B	-0.3027
74	Q	B	-1.0143
75	S	B	-0.9679
76	D	B	-1.2281
77	T	B	-0.0205
78	V	B	1.1648
79	S	B	0.1096
80	S	B	-0.2681
81	W	B	-0.0790
82	T	B	-0.0372
83	V	B	0.0792
84	R	B	-0.1738
85	A	B	0.0000
86	V	B	0.0000
87	V	B	0.0000
88	Q	B	-1.0677
89	V	B	0.0000
90	R	B	-1.3549
91	T	B	-0.1284
92	I	B	0.8722
93	V	B	1.5121
94	G	B	-0.3114
95	D	B	-2.4665
96	T	B	-2.6111
97	K	B	-3.7293
98	D	B	-3.9690
99	K	B	-3.5530
100	T	B	-2.0479
101	H	B	-1.6650
102	T	B	-1.3992
103	C	B	0.1249
104	P	B	-0.0295
105	P	B	0.2650
106	C	B	0.3253
107	P	B	-0.4839
108	A	B	-0.7196
109	P	B	-1.2389
110	E	B	-2.0286
111	A	B	-1.3428
112	A	B	-0.9189
113	G	B	-0.9811
114	G	B	-0.8381
115	P	B	0.0000
116	S	B	-0.2320
117	V	B	0.0000
118	F	B	-0.2476
119	L	B	0.0000
120	F	B	0.0000
121	P	B	-0.1497
122	P	B	0.0000
123	K	B	0.0000
124	P	B	-0.3664
125	K	B	-0.0186
126	D	B	0.0000
127	T	B	0.0000
128	L	B	0.0000
129	M	B	0.8730
130	I	B	1.8216
131	S	B	0.8380
132	R	B	0.0000
133	T	B	0.4490
134	P	B	0.0000
135	E	B	-0.2905
136	V	B	0.0000
137	T	B	0.0000
138	C	B	0.0000
139	V	B	0.0000
140	V	B	0.0000
141	V	B	0.0000
142	D	B	-1.1549
143	V	B	0.0000
144	S	B	-2.0193
145	H	B	-2.5943
146	E	B	-2.9613
147	D	B	-2.5701
148	P	B	-2.5911
149	E	B	-3.0697
150	V	B	-1.9411
151	K	B	-2.2411
152	F	B	-1.3739
153	N	B	-1.1566
154	W	B	0.0000
155	Y	B	-0.5603
156	V	B	-0.8249
157	D	B	-2.0667
158	G	B	-0.8475
159	V	B	0.6072
160	E	B	-0.6471
161	V	B	-0.5306
162	H	B	-1.8443
163	N	B	-2.1280
164	A	B	-1.7315
165	K	B	-2.2353
166	T	B	-1.8439
167	K	B	-2.0254
168	P	B	-1.9335
169	R	B	-2.6329
170	E	B	-2.3599
171	E	B	-2.7890
172	Q	B	0.0000
173	Y	B	-0.9349
174	N	B	-1.4027
175	S	B	-1.1911
176	T	B	0.0000
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	0.0000
183	L	B	0.0000
184	T	B	-0.4109
185	V	B	0.0000
186	L	B	0.7724
187	H	B	0.0000
188	Q	B	-1.0861
189	D	B	-1.2881
190	W	B	0.0000
191	L	B	-0.9279
192	N	B	-1.9907
193	G	B	-2.0099
194	K	B	-2.0607
195	E	B	-1.9634
196	Y	B	0.0000
197	K	B	-1.5208
198	C	B	0.0000
199	K	B	-1.4782
200	V	B	0.0000
201	S	B	-1.5080
202	N	B	0.0000
203	K	B	-2.5961
204	A	B	-1.5063
205	L	B	-0.7372
206	G	B	-0.6378
207	A	B	-0.4542
208	P	B	-0.9478
209	I	B	-0.6917
210	E	B	-2.0043
211	K	B	-1.3332
212	T	B	-1.2250
213	I	B	0.0000
214	S	B	-1.4561
215	K	B	0.0000
216	A	B	-1.7355
217	K	B	-2.7446
218	G	B	-2.3008
219	Q	B	-2.3905
220	P	B	-2.2669
221	R	B	-3.0949
222	E	B	-3.0879
223	P	B	0.0000
224	Q	B	-1.2585
225	V	B	0.0000
226	Y	B	0.0000
227	T	B	0.0000
228	L	B	0.0000
229	P	B	-0.3944
230	P	B	-0.8509
231	S	B	0.0000
232	R	B	-2.6641
233	D	B	-2.7747
234	E	B	0.0000
235	L	B	-1.7364
236	T	B	-1.4728
237	K	B	-1.9485
238	N	B	-2.3266
239	Q	B	-2.1101
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	-0.7200
248	G	B	-1.3543
249	F	B	0.0000
250	Y	B	-1.5893
251	P	B	0.0000
252	S	B	-0.4678
253	D	B	-0.8023
254	I	B	-0.3044
255	A	B	-0.1469
256	V	B	0.0000
257	E	B	-0.9323
258	W	B	0.0000
259	E	B	-1.6472
260	S	B	0.0000
261	N	B	-1.8837
262	G	B	-1.7565
263	Q	B	-2.2066
264	P	B	-1.7606
265	E	B	0.0000
266	N	B	-1.8884
267	N	B	-1.4500
268	Y	B	0.0000
269	K	B	0.0000
270	T	B	-0.0699
271	T	B	0.0000
272	P	B	0.1067
273	P	B	-0.0531
274	V	B	0.0000
275	L	B	-0.1103
276	D	B	-0.9861
277	S	B	-1.6261
278	D	B	-2.2044
279	G	B	-1.2207
280	S	B	0.0000
281	F	B	-0.4252
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	-0.7987
289	V	B	0.0000
290	D	B	-2.3931
291	K	B	-2.4480
292	S	B	-2.1954
293	R	B	-2.0074
294	W	B	0.0000
295	Q	B	-2.3533
296	Q	B	-2.1694
297	G	B	-1.3259
298	N	B	-0.9704
299	V	B	0.0108
300	F	B	0.0000
301	S	B	-0.8944
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	-1.1755
308	A	B	-1.7801
309	L	B	-1.4955
310	H	B	-1.7009
311	N	B	-1.3940
312	H	B	-0.8145
313	Y	B	-0.2689
314	T	B	-0.6217
315	Q	B	-1.0466
316	K	B	-0.9261
317	S	B	-0.4818
318	L	B	0.0000
319	S	B	-0.2566
320	L	B	-0.4282
321	S	B	-0.7287
322	P	B	-0.9983
323	G	B	-1.4215
324	K	B	-2.0308