Project name: seed1

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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:03)

• Minimal score value: -3.9944
• Maximal score value: 1.8225
• Average score: -0.7319
• Total score value: -474.2522

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	-1.2299
2	A	A	-0.8015
3	S	A	-0.6705
4	C	A	-0.2951
5	E	A	-1.0138
6	Y	A	0.4662
7	S	A	-0.1325
8	A	A	-0.2201
9	S	A	-0.6154
10	H	A	-1.2540
11	K	A	-1.3506
12	Q	A	-1.2507
13	D	A	-0.8489
14	L	A	0.0000
15	L	A	1.0760
16	L	A	1.2146
17	G	A	0.2821
18	S	A	-0.0292
19	T	A	-0.5425
20	G	A	-0.1709
21	S	A	-0.2153
22	I	A	0.0000
23	S	A	-0.3930
24	C	A	0.0000
25	P	A	0.0000
26	S	A	-0.1184
27	L	A	0.0000
28	S	A	-0.2161
29	C	A	-0.1077
30	Q	A	-0.8252
31	S	A	-1.0883
32	D	A	0.0000
33	A	A	-1.4285
34	Q	A	-1.7934
35	S	A	0.0000
36	P	A	-0.9948
37	A	A	-0.5113
38	V	A	0.0000
39	T	A	0.1070
40	W	A	0.0000
41	Y	A	0.0000
42	K	A	-0.6559
43	N	A	-0.6820
44	G	A	-0.5034
45	K	A	-0.6898
46	L	A	0.2363
47	L	A	0.5589
48	S	A	0.0000
49	V	A	0.7512
50	E	A	0.0000
51	R	A	-0.1518
52	S	A	0.0000
53	N	A	0.0000
54	R	A	-0.4817
55	I	A	0.0670
56	V	A	0.0678
57	V	A	0.0000
58	D	A	-1.2245
59	E	A	0.0000
60	V	A	0.0000
61	Y	A	-0.0076
62	D	A	-0.4276
63	Y	A	-0.2383
64	H	A	0.0000
65	Q	A	-1.4552
66	G	A	-0.8984
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	-0.2832
74	Q	A	-1.0744
75	S	A	-1.0997
76	D	A	-1.4863
77	T	A	-0.1513
78	V	A	1.0672
79	S	A	0.0130
80	S	A	-0.3277
81	W	A	-0.0763
82	T	A	-0.0122
83	V	A	0.1593
84	R	A	-0.1284
85	A	A	0.0000
86	V	A	0.0000
87	V	A	0.0000
88	Q	A	-0.9676
89	V	A	0.0000
90	R	A	-1.4219
91	T	A	-0.0258
92	I	A	1.0423
93	V	A	1.6541
94	G	A	-0.1663
95	D	A	-2.2926
96	T	A	-2.5633
97	K	A	-3.7535
98	D	A	-3.9920
99	K	A	-3.5656
100	T	A	-2.0310
101	H	A	-1.8654
102	T	A	-1.1460
103	C	A	0.1202
104	P	A	-0.0296
105	P	A	0.1021
106	C	A	0.5166
107	P	A	-0.4217
108	A	A	-0.6925
109	P	A	-1.0970
110	E	A	-1.9928
111	A	A	-1.1998
112	A	A	-0.8790
113	G	A	-0.9824
114	G	A	-0.9342
115	P	A	0.0000
116	S	A	-0.3101
117	V	A	0.0000
118	F	A	-0.2928
119	L	A	0.0000
120	F	A	0.0000
121	P	A	-0.2466
122	P	A	0.0000
123	K	A	0.0000
124	P	A	-0.3947
125	K	A	-0.0254
126	D	A	0.0000
127	T	A	0.0000
128	L	A	0.0000
129	M	A	0.8194
130	I	A	1.8225
131	S	A	0.8191
132	R	A	0.0000
133	T	A	0.4021
134	P	A	0.0000
135	E	A	-0.5096
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	-1.4090
143	V	A	0.0000
144	S	A	-2.1163
145	H	A	-2.6014
146	E	A	-2.9958
147	D	A	-2.6221
148	P	A	-2.5902
149	E	A	-3.0788
150	V	A	-1.9066
151	K	A	-2.2294
152	F	A	-1.1760
153	N	A	-1.1426
154	W	A	0.0000
155	Y	A	-0.5980
156	V	A	-0.7210
157	D	A	-1.7800
158	G	A	-0.7237
159	V	A	0.6831
160	E	A	-0.6319
161	V	A	-0.5419
162	H	A	-1.8795
163	N	A	-2.1616
164	A	A	-1.7726
165	K	A	-2.2960
166	T	A	-1.7000
167	K	A	-1.6854
168	P	A	-1.7696
169	R	A	-2.5153
170	E	A	-2.4771
171	E	A	-2.9289
172	Q	A	0.0000
173	Y	A	-1.0810
174	N	A	-1.6409
175	S	A	-1.4260
176	T	A	-1.9349
177	Y	A	-2.0360
178	R	A	0.0000
179	V	A	0.0000
180	V	A	0.0000
181	S	A	0.0000
182	V	A	-0.8573
183	L	A	0.0000
184	T	A	-0.4855
185	V	A	0.0000
186	L	A	0.8848
187	H	A	0.1277
188	Q	A	-1.1210
189	D	A	-1.3212
190	W	A	0.0000
191	L	A	-0.9848
192	N	A	-2.0399
193	G	A	-2.0169
194	K	A	-2.0070
195	E	A	-1.9068
196	Y	A	0.0000
197	K	A	-1.5855
198	C	A	0.0000
199	K	A	-1.4976
200	V	A	0.0000
201	S	A	-1.4939
202	N	A	0.0000
203	K	A	-2.6202
204	A	A	-1.5375
205	L	A	-0.7544
206	G	A	-0.7271
207	A	A	-0.5318
208	P	A	-0.9268
209	I	A	-0.7116
210	E	A	-1.9666
211	K	A	-1.2747
212	T	A	-1.2042
213	I	A	0.0000
214	S	A	-1.2574
215	K	A	0.0000
216	A	A	-1.7584
217	K	A	-2.7740
218	G	A	-2.1912
219	Q	A	-2.1168
220	P	A	-1.7204
221	R	A	-1.9888
222	E	A	-2.6035
223	P	A	0.0000
224	Q	A	-1.2821
225	V	A	0.0000
226	Y	A	0.0000
227	T	A	-0.8300
228	L	A	0.0000
229	P	A	-0.3866
230	P	A	-0.8551
231	S	A	0.0000
232	R	A	-2.6498
233	D	A	-2.8042
234	E	A	0.0000
235	L	A	-1.7809
236	T	A	-1.5480
237	K	A	-2.1079
238	N	A	-2.3830
239	Q	A	-2.1453
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	-0.6485
248	G	A	-1.1226
249	F	A	0.0000
250	Y	A	-1.2106
251	P	A	0.0000
252	S	A	-0.5947
253	D	A	-0.8472
254	I	A	0.0000
255	A	A	-0.2834
256	V	A	0.0000
257	E	A	-1.0016
258	W	A	0.0000
259	E	A	-1.9243
260	S	A	0.0000
261	N	A	-1.9196
262	G	A	-1.9080
263	Q	A	-2.3326
264	P	A	-1.9313
265	E	A	-1.9089
266	N	A	-2.1265
267	N	A	-1.2369
268	Y	A	-0.7191
269	K	A	0.0000
270	T	A	0.0000
271	T	A	0.0000
272	P	A	0.0000
273	P	A	-0.0227
274	V	A	0.0000
275	L	A	0.0000
276	D	A	-0.9454
277	S	A	-1.3724
278	D	A	-2.0403
279	G	A	-1.0864
280	S	A	0.0000
281	F	A	-0.3696
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	-0.6564
289	V	A	0.0000
290	D	A	-2.2293
291	K	A	-2.4116
292	S	A	-2.1098
293	R	A	-1.9500
294	W	A	0.0000
295	Q	A	-2.3192
296	Q	A	-2.1340
297	G	A	-1.2506
298	N	A	-0.8482
299	V	A	0.0872
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	-1.1346
308	A	A	-1.5708
309	L	A	0.0000
310	H	A	-1.8529
311	N	A	-1.5352
312	H	A	-1.0330
313	Y	A	-0.6620
314	T	A	-0.9969
315	Q	A	-1.5414
316	K	A	-1.2226
317	S	A	-0.6446
318	L	A	0.0000
319	S	A	-0.1948
320	L	A	-0.3492
321	S	A	-0.6273
322	P	A	-1.1108
323	G	A	-1.4140
324	K	A	-2.0319
1	N	B	-1.2309
2	A	B	-0.8008
3	S	B	-0.6798
4	C	B	-0.3040
5	E	B	-1.0381
6	Y	B	0.4560
7	S	B	-0.1426
8	A	B	-0.2968
9	S	B	-0.6612
10	H	B	-1.1302
11	K	B	-1.4422
12	Q	B	-1.2624
13	D	B	-0.8864
14	L	B	0.0000
15	L	B	0.6942
16	L	B	0.8280
17	G	B	-0.2197
18	S	B	-0.4741
19	T	B	-1.0514
20	G	B	-0.5426
21	S	B	-0.4447
22	I	B	0.0000
23	S	B	-0.5434
24	C	B	0.0000
25	P	B	0.0000
26	S	B	-0.3069
27	L	B	0.0000
28	S	B	-0.2976
29	C	B	-0.1557
30	Q	B	-0.8838
31	S	B	-1.2020
32	D	B	-1.4660
33	A	B	-1.4598
34	Q	B	-1.7992
35	S	B	0.0000
36	P	B	-1.0061
37	A	B	-0.5370
38	V	B	0.0000
39	T	B	0.1365
40	W	B	0.0000
41	Y	B	0.0000
42	K	B	-0.3213
43	N	B	-0.2851
44	G	B	-0.1394
45	K	B	-0.0577
46	L	B	0.9156
47	L	B	0.8043
48	S	B	0.6698
49	V	B	0.6316
50	E	B	-0.1237
51	R	B	-0.3988
52	S	B	0.0000
53	N	B	0.0000
54	R	B	-0.8466
55	I	B	0.0000
56	V	B	-0.2037
57	V	B	0.0000
58	D	B	-2.3000
59	E	B	-1.3346
60	V	B	0.0000
61	Y	B	-0.5036
62	D	B	-0.9203
63	Y	B	-0.5209
64	H	B	0.0000
65	Q	B	-1.4211
66	G	B	-0.8197
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	-0.3018
74	Q	B	-1.0896
75	S	B	-1.1133
76	D	B	-1.5065
77	T	B	-0.1580
78	V	B	1.0650
79	S	B	0.0081
80	S	B	-0.3393
81	W	B	-0.0907
82	T	B	-0.0321
83	V	B	0.1523
84	R	B	-0.1309
85	A	B	0.0000
86	V	B	0.0000
87	V	B	0.0000
88	Q	B	-0.9747
89	V	B	0.0000
90	R	B	-1.4248
91	T	B	-0.1640
92	I	B	0.8961
93	V	B	1.6717
94	G	B	-0.1493
95	D	B	-2.2609
96	T	B	-2.5206
97	K	B	-3.7433
98	D	B	-3.9944
99	K	B	-3.5651
100	T	B	-2.0331
101	H	B	-1.8761
102	T	B	-1.1355
103	C	B	0.1109
104	P	B	-0.0301
105	P	B	0.1038
106	C	B	0.5175
107	P	B	-0.4353
108	A	B	-0.7199
109	P	B	-1.0827
110	E	B	-2.0003
111	A	B	-1.2093
112	A	B	-1.0158
113	G	B	-0.9754
114	G	B	-0.9281
115	P	B	0.0000
116	S	B	-0.3042
117	V	B	0.0000
118	F	B	-0.2937
119	L	B	0.0000
120	F	B	0.0000
121	P	B	-0.1366
122	P	B	0.0000
123	K	B	0.0000
124	P	B	-0.2616
125	K	B	0.0023
126	D	B	0.0000
127	T	B	0.0000
128	L	B	0.0000
129	M	B	0.8503
130	I	B	1.8114
131	S	B	0.8167
132	R	B	0.0000
133	T	B	0.4071
134	P	B	0.0000
135	E	B	-0.5422
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	-1.4591
143	V	B	0.0000
144	S	B	-2.1566
145	H	B	-2.6455
146	E	B	-3.0187
147	D	B	-2.6918
148	P	B	-2.6825
149	E	B	-3.1359
150	V	B	-1.9587
151	K	B	-2.2258
152	F	B	-1.1716
153	N	B	-1.1366
154	W	B	0.0000
155	Y	B	-0.7935
156	V	B	-1.0470
157	D	B	-2.3048
158	G	B	-0.9890
159	V	B	0.5008
160	E	B	-0.7198
161	V	B	-0.5632
162	H	B	-1.8872
163	N	B	-2.1882
164	A	B	-1.8510
165	K	B	-2.4108
166	T	B	-1.8760
167	K	B	-1.9985
168	P	B	-2.0096
169	R	B	-2.8422
170	E	B	-2.7795
171	E	B	-3.0602
172	Q	B	0.0000
173	Y	B	-1.1323
174	N	B	-1.6655
175	S	B	-1.4645
176	T	B	-2.0559
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	-0.5150
185	V	B	0.0000
186	L	B	0.9847
187	H	B	0.1822
188	Q	B	-1.0598
189	D	B	-1.3197
190	W	B	0.0000
191	L	B	-0.9566
192	N	B	-2.0846
193	G	B	-2.2164
194	K	B	-2.3146
195	E	B	-2.5606
196	Y	B	0.0000
197	K	B	-1.7623
198	C	B	0.0000
199	K	B	-1.4361
200	V	B	0.0000
201	S	B	-1.4667
202	N	B	0.0000
203	K	B	-2.6352
204	A	B	-1.5504
205	L	B	-0.7591
206	G	B	-0.7248
207	A	B	-0.5168
208	P	B	-0.9006
209	I	B	-0.6652
210	E	B	-1.8929
211	K	B	-1.3144
212	T	B	-1.3623
213	I	B	0.0000
214	S	B	-1.4865
215	K	B	0.0000
216	A	B	-1.4078
217	K	B	-2.5444
218	G	B	-2.1245
219	Q	B	-2.1947
220	P	B	-1.8541
221	R	B	-2.2972
222	E	B	-2.7223
223	P	B	0.0000
224	Q	B	-1.3732
225	V	B	0.0000
226	Y	B	0.0000
227	T	B	-0.8561
228	L	B	0.0000
229	P	B	-0.3492
230	P	B	0.0000
231	S	B	-1.4944
232	R	B	-2.6360
233	D	B	-2.7917
234	E	B	0.0000
235	L	B	-1.7294
236	T	B	-1.5445
237	K	B	-2.1239
238	N	B	-2.3895
239	Q	B	-2.1395
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	-0.6982
248	G	B	0.0000
249	F	B	0.0000
250	Y	B	-1.2214
251	P	B	0.0000
252	S	B	-0.3303
253	D	B	-0.4525
254	I	B	-0.1352
255	A	B	-0.1315
256	V	B	0.0000
257	E	B	-0.9483
258	W	B	0.0000
259	E	B	-1.8641
260	S	B	0.0000
261	N	B	-1.9503
262	G	B	-1.8238
263	Q	B	-2.2973
264	P	B	-1.8447
265	E	B	-1.7737
266	N	B	-1.8750
267	N	B	-1.1451
268	Y	B	0.0000
269	K	B	0.0000
270	T	B	0.0000
271	T	B	0.0000
272	P	B	0.0000
273	P	B	0.0743
274	V	B	0.0000
275	L	B	0.0000
276	D	B	-0.8432
277	S	B	-1.2694
278	D	B	-1.9510
279	G	B	-0.9637
280	S	B	0.0000
281	F	B	-0.3491
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	-0.6335
289	V	B	0.0000
290	D	B	-2.2142
291	K	B	-2.3891
292	S	B	-2.1338
293	R	B	-1.9563
294	W	B	0.0000
295	Q	B	-2.3574
296	Q	B	-2.1874
297	G	B	-1.3636
298	N	B	-1.0370
299	V	B	-0.0666
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	-1.0344
308	A	B	-1.5758
309	L	B	-1.4580
310	H	B	-1.7500
311	N	B	-1.4476
312	H	B	-0.8967
313	Y	B	-0.4956
314	T	B	-0.9139
315	Q	B	-1.4930
316	K	B	-1.3863
317	S	B	-0.7259
318	L	B	0.0000
319	S	B	-0.2840
320	L	B	-0.4774
321	S	B	-0.6773
322	P	B	-1.1331
323	G	B	-1.4278
324	K	B	-2.0307