Project name: seed6

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]                                                (00:00:01)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:24)

• Minimal score value: -4.0602
• Maximal score value: 2.0128
• Average score: -0.7025
• Total score value: -455.2321

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	-1.3934
2	A	A	-0.7294
3	S	A	-0.3424
4	C	A	0.0048
5	E	A	-0.9903
6	Y	A	0.6100
7	S	A	0.0575
8	A	A	-0.1601
9	S	A	-0.4259
10	H	A	-0.9871
11	K	A	-1.1070
12	Q	A	-0.7996
13	D	A	-0.5548
14	L	A	0.0000
15	L	A	0.9894
16	L	A	1.1654
17	G	A	-0.0162
18	S	A	-0.4144
19	T	A	-0.7290
20	G	A	-0.2083
21	S	A	-0.1525
22	I	A	0.0000
23	S	A	-0.4103
24	C	A	0.0000
25	P	A	0.0000
26	S	A	-0.2289
27	L	A	0.0000
28	S	A	-0.1132
29	C	A	0.3432
30	Q	A	-0.7356
31	S	A	-0.9782
32	D	A	-1.6771
33	A	A	-1.3923
34	Q	A	-1.8838
35	S	A	0.0000
36	P	A	-0.9784
37	A	A	-0.4624
38	V	A	0.0000
39	T	A	0.0000
40	W	A	0.0000
41	Y	A	0.0000
42	K	A	-0.3515
43	N	A	-0.5989
44	G	A	0.0000
45	K	A	-0.2219
46	L	A	0.9724
47	L	A	1.0603
48	S	A	0.7407
49	V	A	0.7782
50	E	A	-0.0221
51	R	A	-0.9143
52	S	A	-0.8389
53	N	A	0.0000
54	R	A	-0.7316
55	I	A	0.0000
56	V	A	0.5077
57	V	A	-0.2972
58	D	A	-1.5077
59	E	A	-1.0034
60	V	A	0.0000
61	Y	A	0.0041
62	D	A	0.2161
63	Y	A	1.3030
64	H	A	-0.0184
65	Q	A	-0.8240
66	G	A	0.0000
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	-0.3355
74	Q	A	-1.0723
75	S	A	-1.0161
76	D	A	-1.3019
77	T	A	-0.0522
78	V	A	1.1436
79	S	A	0.0668
80	S	A	-0.3039
81	W	A	-0.1046
82	T	A	-0.0388
83	V	A	0.1017
84	R	A	-0.0692
85	A	A	0.0000
86	V	A	0.0000
87	V	A	0.0000
88	Q	A	0.0000
89	V	A	0.0000
90	R	A	-0.6988
91	T	A	0.5559
92	I	A	1.3317
93	V	A	2.0128
94	G	A	-0.0521
95	D	A	-2.4726
96	T	A	-2.4216
97	K	A	-3.7116
98	D	A	-4.0602
99	K	A	-3.6004
100	T	A	-2.2279
101	H	A	-2.1562
102	T	A	-1.3297
103	C	A	0.0006
104	P	A	-0.0492
105	P	A	0.3184
106	C	A	0.5934
107	P	A	-0.4846
108	A	A	-0.6643
109	P	A	-1.0895
110	E	A	-1.9256
111	A	A	-1.1424
112	A	A	-1.0478
113	G	A	-0.9073
114	G	A	-0.7643
115	P	A	0.0000
116	S	A	-0.3520
117	V	A	0.0000
118	F	A	0.0000
119	L	A	0.0000
120	F	A	0.0000
121	P	A	-0.0397
122	P	A	0.0000
123	K	A	-0.2532
124	P	A	0.0000
125	K	A	-0.0398
126	D	A	0.0000
127	T	A	0.0000
128	L	A	0.0000
129	M	A	0.8519
130	I	A	1.7982
131	S	A	0.8283
132	R	A	0.0000
133	T	A	0.4418
134	P	A	0.0000
135	E	A	-0.1911
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	-0.9368
143	V	A	0.0000
144	S	A	-1.9281
145	H	A	-2.5671
146	E	A	-2.9876
147	D	A	-2.6122
148	P	A	-2.5611
149	E	A	-3.0709
150	V	A	-1.9216
151	K	A	-2.2318
152	F	A	-1.1990
153	N	A	-1.2994
154	W	A	0.0000
155	Y	A	-1.0244
156	V	A	-1.0975
157	D	A	-2.2321
158	G	A	-1.0702
159	V	A	0.2179
160	E	A	-1.4264
161	V	A	-0.8264
162	H	A	-2.0074
163	N	A	-2.2302
164	A	A	-1.8035
165	K	A	-2.4686
166	T	A	-1.9671
167	K	A	-2.1548
168	P	A	-1.9084
169	R	A	-2.4510
170	E	A	-2.3241
171	E	A	-2.6519
172	Q	A	0.0000
173	Y	A	-0.5941
174	N	A	-0.8319
175	S	A	-0.9218
176	T	A	-1.5213
177	Y	A	-1.8023
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	-0.3980
185	V	A	0.0000
186	L	A	0.5803
187	H	A	0.0000
188	Q	A	-1.2053
189	D	A	-1.5042
190	W	A	0.0000
191	L	A	-0.9630
192	N	A	-2.0760
193	G	A	-2.0738
194	K	A	-2.2630
195	E	A	-2.2907
196	Y	A	0.0000
197	K	A	-1.6722
198	C	A	0.0000
199	K	A	-1.4231
200	V	A	0.0000
201	S	A	-1.4825
202	N	A	0.0000
203	K	A	-2.6168
204	A	A	-1.5386
205	L	A	-0.7701
206	G	A	-0.7369
207	A	A	-0.5133
208	P	A	-0.9016
209	I	A	-0.6491
210	E	A	-1.8087
211	K	A	-1.2524
212	T	A	-1.2150
213	I	A	0.0000
214	S	A	-1.3710
215	K	A	0.0000
216	A	A	-1.3725
217	K	A	-2.3179
218	G	A	-1.9771
219	Q	A	-2.1867
220	P	A	-1.8638
221	R	A	-2.2558
222	E	A	-2.6788
223	P	A	0.0000
224	Q	A	-1.2334
225	V	A	0.0000
226	Y	A	0.0000
227	T	A	-0.8089
228	L	A	0.0000
229	P	A	-0.3980
230	P	A	-0.8597
231	S	A	0.0000
232	R	A	-2.6737
233	D	A	-2.8210
234	E	A	0.0000
235	L	A	-1.8510
236	T	A	-1.6070
237	K	A	-2.1819
238	N	A	-2.4242
239	Q	A	-2.1873
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	-0.6020
248	G	A	0.0000
249	F	A	0.0000
250	Y	A	-1.1793
251	P	A	0.0000
252	S	A	-0.2366
253	D	A	-0.5738
254	I	A	-0.2351
255	A	A	-0.0997
256	V	A	0.0000
257	E	A	-0.8699
258	W	A	0.0000
259	E	A	-1.5967
260	S	A	0.0000
261	N	A	-1.8829
262	G	A	-1.7502
263	Q	A	-2.1763
264	P	A	-1.7066
265	E	A	0.0000
266	N	A	-1.9102
267	N	A	-1.6396
268	Y	A	0.0000
269	K	A	0.0000
270	T	A	-0.0457
271	T	A	0.0000
272	P	A	0.2666
273	P	A	-0.0715
274	V	A	0.0000
275	L	A	0.0536
276	D	A	-0.9503
277	S	A	-1.5424
278	D	A	-2.0334
279	G	A	-1.0221
280	S	A	0.0000
281	F	A	-0.2539
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	-0.8157
289	V	A	0.0000
290	D	A	-2.2359
291	K	A	-2.4057
292	S	A	-2.1274
293	R	A	-1.9488
294	W	A	0.0000
295	Q	A	-2.3004
296	Q	A	-2.1402
297	G	A	-1.2873
298	N	A	-0.9582
299	V	A	0.0192
300	F	A	0.0000
301	S	A	-0.9155
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	-1.0293
308	A	A	-1.5600
309	L	A	-1.4209
310	H	A	-1.7340
311	N	A	-1.4297
312	H	A	-0.8664
313	Y	A	-0.3647
314	T	A	-0.6643
315	Q	A	-1.0439
316	K	A	-1.0805
317	S	A	-0.5545
318	L	A	0.0000
319	S	A	-0.2180
320	L	A	-0.3566
321	S	A	-0.6112
322	P	A	-1.1014
323	G	A	-1.4167
324	K	A	-2.0325
1	N	B	-1.4019
2	A	B	-0.7308
3	S	B	-0.3344
4	C	B	0.0214
5	E	B	-1.0022
6	Y	B	0.6063
7	S	B	0.0323
8	A	B	-0.2300
9	S	B	-0.4562
10	H	B	-1.0232
11	K	B	-1.0837
12	Q	B	-0.7914
13	D	B	-0.6624
14	L	B	0.0000
15	L	B	0.6913
16	L	B	0.7833
17	G	B	-0.3110
18	S	B	-0.5767
19	T	B	-0.8089
20	G	B	-0.3151
21	S	B	-0.3764
22	I	B	0.0000
23	S	B	-0.6701
24	C	B	0.0000
25	P	B	0.0000
26	S	B	-0.2301
27	L	B	0.0000
28	S	B	-0.1896
29	C	B	0.3868
30	Q	B	-0.6391
31	S	B	-1.0748
32	D	B	-1.9065
33	A	B	-1.5160
34	Q	B	-1.9312
35	S	B	0.0000
36	P	B	-0.9293
37	A	B	-0.4322
38	V	B	0.0000
39	T	B	0.0000
40	W	B	0.0000
41	Y	B	0.0000
42	K	B	-0.2283
43	N	B	-0.4666
44	G	B	-0.1593
45	K	B	-0.1842
46	L	B	1.0589
47	L	B	1.0581
48	S	B	0.7901
49	V	B	0.8634
50	E	B	-0.1862
51	R	B	-1.1596
52	S	B	-1.1552
53	N	B	0.0000
54	R	B	-1.3715
55	I	B	0.0000
56	V	B	0.2160
57	V	B	0.0000
58	D	B	-1.6570
59	E	B	-1.1189
60	V	B	0.0000
61	Y	B	-0.3490
62	D	B	-0.2204
63	Y	B	0.9829
64	H	B	-0.2199
65	Q	B	-0.8841
66	G	B	0.0000
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	-0.3222
74	Q	B	-1.0753
75	S	B	-1.0398
76	D	B	-1.3647
77	T	B	-0.0841
78	V	B	1.1281
79	S	B	0.0666
80	S	B	-0.3132
81	W	B	-0.1254
82	T	B	-0.0537
83	V	B	0.0664
84	R	B	-0.1629
85	A	B	0.0000
86	V	B	0.0000
87	V	B	0.0000
88	Q	B	0.0000
89	V	B	0.0000
90	R	B	-0.6879
91	T	B	0.2832
92	I	B	0.8798
93	V	B	1.1151
94	G	B	-0.5991
95	D	B	-2.7644
96	T	B	-2.5790
97	K	B	-3.7110
98	D	B	-4.0165
99	K	B	-3.6110
100	T	B	-2.2632
101	H	B	-2.2914
102	T	B	-1.4921
103	C	B	-0.5033
104	P	B	-0.1165
105	P	B	0.2806
106	C	B	0.7027
107	P	B	-0.4670
108	A	B	-0.6127
109	P	B	-1.1019
110	E	B	-1.9963
111	A	B	-1.1426
112	A	B	-1.0571
113	G	B	-0.9229
114	G	B	-0.8294
115	P	B	0.0000
116	S	B	-0.2724
117	V	B	0.0000
118	F	B	-0.2005
119	L	B	0.0000
120	F	B	0.0000
121	P	B	-0.0167
122	P	B	0.0000
123	K	B	0.0000
124	P	B	-0.3254
125	K	B	-0.0044
126	D	B	0.0000
127	T	B	0.0000
128	L	B	0.0000
129	M	B	0.8515
130	I	B	1.8125
131	S	B	0.8323
132	R	B	0.0000
133	T	B	0.4370
134	P	B	0.0000
135	E	B	-0.3093
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	-0.9324
143	V	B	0.0000
144	S	B	-1.9448
145	H	B	-2.5883
146	E	B	-3.0258
147	D	B	-2.6953
148	P	B	-2.6688
149	E	B	-3.1557
150	V	B	-1.9988
151	K	B	-2.2397
152	F	B	-1.1601
153	N	B	-1.1013
154	W	B	0.0000
155	Y	B	-0.6642
156	V	B	-0.9239
157	D	B	-2.1233
158	G	B	-0.8717
159	V	B	0.6042
160	E	B	-0.6281
161	V	B	-0.5279
162	H	B	-1.8741
163	N	B	-2.1701
164	A	B	-1.8469
165	K	B	-2.4670
166	T	B	-2.0638
167	K	B	-2.3511
168	P	B	-2.1730
169	R	B	-2.9353
170	E	B	-2.5538
171	E	B	-2.7432
172	Q	B	0.0000
173	Y	B	-0.5753
174	N	B	-0.8053
175	S	B	-0.9089
176	T	B	-1.5593
177	Y	B	-1.9193
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	-0.4565
185	V	B	0.0000
186	L	B	0.6227
187	H	B	0.0000
188	Q	B	-1.1949
189	D	B	-1.5161
190	W	B	0.0000
191	L	B	-0.9675
192	N	B	-2.0870
193	G	B	-2.1024
194	K	B	-2.2883
195	E	B	-2.3703
196	Y	B	0.0000
197	K	B	-1.4507
198	C	B	0.0000
199	K	B	-1.2058
200	V	B	0.0000
201	S	B	-1.4400
202	N	B	0.0000
203	K	B	-2.6471
204	A	B	-1.5652
205	L	B	-0.7839
206	G	B	-0.7428
207	A	B	-0.4731
208	P	B	-0.8083
209	I	B	-0.3852
210	E	B	-1.3301
211	K	B	-0.8643
212	T	B	-1.0332
213	I	B	0.0000
214	S	B	-1.4178
215	K	B	0.0000
216	A	B	-1.4125
217	K	B	-2.3224
218	G	B	-1.9736
219	Q	B	-2.1751
220	P	B	-1.8140
221	R	B	-2.2031
222	E	B	-2.6541
223	P	B	0.0000
224	Q	B	-1.2404
225	V	B	0.0000
226	Y	B	0.0000
227	T	B	-0.8739
228	L	B	0.0000
229	P	B	-0.4079
230	P	B	-0.8703
231	S	B	-1.5426
232	R	B	-2.6732
233	D	B	-2.8127
234	E	B	0.0000
235	L	B	-1.8192
236	T	B	-1.5863
237	K	B	-2.1698
238	N	B	-2.4298
239	Q	B	-2.2107
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	-0.6059
248	G	B	0.0000
249	F	B	0.0000
250	Y	B	-1.2067
251	P	B	0.0000
252	S	B	-0.3336
253	D	B	-0.5784
254	I	B	-0.2907
255	A	B	-0.1151
256	V	B	0.0000
257	E	B	-1.0182
258	W	B	0.0000
259	E	B	-1.7527
260	S	B	0.0000
261	N	B	-1.8898
262	G	B	-1.7834
263	Q	B	-2.2404
264	P	B	-1.8341
265	E	B	-1.6963
266	N	B	-1.9972
267	N	B	-1.6706
268	Y	B	0.0000
269	K	B	0.0000
270	T	B	-0.0440
271	T	B	0.0000
272	P	B	0.2578
273	P	B	-0.1277
274	V	B	0.0000
275	L	B	-0.0432
276	D	B	-0.9847
277	S	B	-1.5081
278	D	B	-2.1178
279	G	B	-1.0766
280	S	B	0.0000
281	F	B	-0.3220
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	-0.8337
289	V	B	0.0000
290	D	B	-2.2898
291	K	B	-2.4230
292	S	B	-2.1351
293	R	B	-1.9361
294	W	B	0.0000
295	Q	B	-2.2930
296	Q	B	-2.1191
297	G	B	-1.2342
298	N	B	-0.8364
299	V	B	0.0884
300	F	B	0.0000
301	S	B	-1.1134
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	-1.0572
308	A	B	-1.5561
309	L	B	-1.4408
310	H	B	-1.7566
311	N	B	-1.4510
312	H	B	-0.8973
313	Y	B	-0.5526
314	T	B	-0.9765
315	Q	B	-1.6306
316	K	B	-1.4144
317	S	B	-0.7146
318	L	B	0.0000
319	S	B	-0.1968
320	L	B	-0.3649
321	S	B	-0.6220
322	P	B	-0.9857
323	G	B	-1.4206
324	K	B	-2.0315