Project name: seed2

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                                          (00:13:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:07)

• Minimal score value: -4.0084
• Maximal score value: 1.9722
• Average score: -0.6714
• Total score value: -435.0993

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	-1.5284
2	A	A	-0.8664
3	S	A	-0.6178
4	C	A	-0.6850
5	E	A	-1.3487
6	Y	A	0.3650
7	S	A	-0.0920
8	A	A	-0.2556
9	S	A	-0.4186
10	H	A	-0.6161
11	K	A	0.0000
12	Q	A	-0.4878
13	D	A	-0.1016
14	L	A	0.0000
15	L	A	1.2366
16	L	A	1.2593
17	G	A	0.2077
18	S	A	0.0781
19	T	A	-0.1746
20	G	A	0.1085
21	S	A	0.0792
22	I	A	0.0000
23	S	A	-0.3403
24	C	A	0.0000
25	P	A	0.0000
26	S	A	-0.4709
27	L	A	0.0000
28	S	A	-0.5574
29	C	A	-0.4917
30	Q	A	-1.2361
31	S	A	-1.2510
32	D	A	-1.6016
33	A	A	-1.3496
34	Q	A	-1.7903
35	S	A	0.0000
36	P	A	-0.9163
37	A	A	-0.6239
38	V	A	0.0000
39	T	A	0.0000
40	W	A	0.0000
41	Y	A	0.0000
42	K	A	-0.7559
43	N	A	-0.8442
44	G	A	0.0000
45	K	A	-1.1028
46	L	A	-0.2713
47	L	A	0.2899
48	S	A	0.2659
49	V	A	0.2544
50	E	A	0.0000
51	R	A	-1.1239
52	S	A	-0.8785
53	N	A	0.0000
54	R	A	-0.5550
55	I	A	0.3310
56	V	A	0.5782
57	V	A	0.0000
58	D	A	-0.4725
59	E	A	0.0000
60	V	A	0.0000
61	Y	A	-0.1148
62	D	A	-0.2778
63	Y	A	-0.7003
64	H	A	-0.8254
65	Q	A	-1.2840
66	G	A	-0.7923
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	-0.1172
74	Q	A	-0.7621
75	S	A	-0.9188
76	D	A	-1.3734
77	T	A	-0.1339
78	V	A	1.0817
79	S	A	0.0569
80	S	A	-0.2567
81	W	A	0.0545
82	T	A	0.1507
83	V	A	0.3002
84	R	A	0.0000
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	-0.7842
91	T	A	0.2377
92	I	A	1.2193
93	V	A	1.8138
94	G	A	0.0067
95	D	A	-2.3319
96	T	A	-2.4334
97	K	A	-3.8426
98	D	A	-3.9906
99	K	A	-3.5671
100	T	A	-2.0696
101	H	A	-1.8304
102	T	A	-0.9324
103	C	A	0.1339
104	P	A	-0.0181
105	P	A	-0.0760
106	C	A	0.5182
107	P	A	-0.4694
108	A	A	-0.5591
109	P	A	-1.0908
110	E	A	-2.0918
111	A	A	-1.1791
112	A	A	-0.9954
113	G	A	-1.2116
114	G	A	-0.9226
115	P	A	0.0000
116	S	A	-0.2701
117	V	A	0.0000
118	F	A	-0.1151
119	L	A	0.0000
120	F	A	0.0000
121	P	A	-0.3118
122	P	A	0.0000
123	K	A	0.0000
124	P	A	0.0000
125	K	A	-0.1049
126	D	A	0.0000
127	T	A	0.0000
128	L	A	0.0000
129	M	A	0.8069
130	I	A	1.9083
131	S	A	0.7551
132	R	A	0.4478
133	T	A	0.4501
134	P	A	0.0000
135	E	A	-0.1023
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	-1.1010
143	V	A	0.0000
144	S	A	-1.8622
145	H	A	-2.2450
146	E	A	-2.7998
147	D	A	-2.5035
148	P	A	-2.6413
149	E	A	-3.0278
150	V	A	-1.9135
151	K	A	-2.2387
152	F	A	-1.1991
153	N	A	-1.1793
154	W	A	0.0000
155	Y	A	-0.6165
156	V	A	-0.8265
157	D	A	-2.0172
158	G	A	-0.8373
159	V	A	0.5985
160	E	A	-0.6958
161	V	A	-0.5604
162	H	A	-1.8715
163	N	A	-2.1502
164	A	A	-1.7113
165	K	A	-2.2146
166	T	A	-1.6895
167	K	A	-1.6339
168	P	A	-1.6145
169	R	A	-2.1751
170	E	A	-1.9217
171	E	A	-2.2497
172	Q	A	0.0000
173	Y	A	0.3452
174	N	A	-0.3950
175	S	A	-0.6721
176	T	A	-1.2043
177	Y	A	-1.5198
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	-0.3665
185	V	A	0.0000
186	L	A	0.6770
187	H	A	0.0000
188	Q	A	-1.1766
189	D	A	-1.4517
190	W	A	0.0000
191	L	A	-0.9788
192	N	A	-2.0488
193	G	A	-2.0648
194	K	A	-2.1630
195	E	A	-2.0465
196	Y	A	0.0000
197	K	A	-1.5758
198	C	A	0.0000
199	K	A	-1.5014
200	V	A	0.0000
201	S	A	-1.5093
202	N	A	0.0000
203	K	A	-2.6367
204	A	A	-1.5652
205	L	A	-0.8061
206	G	A	-0.9637
207	A	A	-0.4967
208	P	A	-0.9453
209	I	A	-0.6590
210	E	A	-1.9230
211	K	A	-1.2932
212	T	A	-1.1339
213	I	A	0.0000
214	S	A	0.0000
215	K	A	-1.1954
216	A	A	-1.1343
217	K	A	-2.0918
218	G	A	-1.8895
219	Q	A	-2.0909
220	P	A	-1.7740
221	R	A	-2.0768
222	E	A	-2.5947
223	P	A	0.0000
224	Q	A	-1.1662
225	V	A	0.0000
226	Y	A	0.0000
227	T	A	-0.7858
228	L	A	0.0000
229	P	A	-0.3891
230	P	A	-0.8593
231	S	A	0.0000
232	R	A	-2.6693
233	D	A	-2.8169
234	E	A	0.0000
235	L	A	-1.8316
236	T	A	-1.5658
237	K	A	-2.1403
238	N	A	-2.4228
239	Q	A	-2.1762
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	-0.6319
248	G	A	-1.1435
249	F	A	0.0000
250	Y	A	0.0000
251	P	A	0.0000
252	S	A	-0.4036
253	D	A	-0.7179
254	I	A	0.0000
255	A	A	0.0000
256	V	A	0.0000
257	E	A	-0.8601
258	W	A	0.0000
259	E	A	-1.6016
260	S	A	0.0000
261	N	A	-1.8929
262	G	A	-1.8448
263	Q	A	-2.1563
264	P	A	-1.6537
265	E	A	0.0000
266	N	A	-1.5426
267	N	A	-1.2642
268	Y	A	0.0000
269	K	A	0.0000
270	T	A	0.0000
271	T	A	0.0000
272	P	A	0.1233
273	P	A	-0.0285
274	V	A	0.0000
275	L	A	-0.1456
276	D	A	-0.8141
277	S	A	-1.3471
278	D	A	-1.9722
279	G	A	-0.9788
280	S	A	0.0000
281	F	A	-0.3566
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	-0.7865
289	V	A	0.0000
290	D	A	-2.4178
291	K	A	-2.4850
292	S	A	-2.1664
293	R	A	-1.9988
294	W	A	0.0000
295	Q	A	-2.3456
296	Q	A	-2.1487
297	G	A	-1.3006
298	N	A	-0.9641
299	V	A	0.0230
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	-1.0645
308	A	A	-1.5223
309	L	A	-1.3786
310	H	A	-1.7381
311	N	A	-1.6482
312	H	A	-1.1167
313	Y	A	-0.3783
314	T	A	-0.6673
315	Q	A	-1.0600
316	K	A	-1.0397
317	S	A	-0.5451
318	L	A	0.0000
319	S	A	-0.2304
320	L	A	-0.3686
321	S	A	-0.6221
322	P	A	-1.0961
323	G	A	-1.4157
324	K	A	-2.0292
1	N	B	-1.5268
2	A	B	-0.8668
3	S	B	-0.5878
4	C	B	-0.5809
5	E	B	-1.2878
6	Y	B	0.3931
7	S	B	-0.0442
8	A	B	-0.2014
9	S	B	-0.4283
10	H	B	-0.6068
11	K	B	0.0000
12	Q	B	-0.6596
13	D	B	-0.2181
14	L	B	0.0000
15	L	B	1.1754
16	L	B	1.2954
17	G	B	0.1901
18	S	B	0.0927
19	T	B	-0.1802
20	G	B	0.0711
21	S	B	-0.0034
22	I	B	0.0000
23	S	B	-0.3583
24	C	B	0.0000
25	P	B	0.0000
26	S	B	-0.4006
27	L	B	0.0000
28	S	B	-0.3404
29	C	B	-0.0886
30	Q	B	-0.8194
31	S	B	-0.9471
32	D	B	-1.3233
33	A	B	-1.2297
34	Q	B	-1.6275
35	S	B	0.0000
36	P	B	-0.8422
37	A	B	-0.5571
38	V	B	0.0000
39	T	B	0.0000
40	W	B	0.0000
41	Y	B	0.0000
42	K	B	-0.7479
43	N	B	-0.8048
44	G	B	0.0000
45	K	B	-0.9693
46	L	B	-0.1139
47	L	B	0.3805
48	S	B	0.3372
49	V	B	0.4110
50	E	B	0.0000
51	R	B	-1.0297
52	S	B	-0.7687
53	N	B	0.0000
54	R	B	-0.5605
55	I	B	0.2462
56	V	B	0.3722
57	V	B	0.0000
58	D	B	-0.4832
59	E	B	0.0000
60	V	B	0.0000
61	Y	B	-0.1180
62	D	B	-0.3796
63	Y	B	-0.7870
64	H	B	-0.9391
65	Q	B	-1.5323
66	G	B	-0.9703
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	-0.1282
74	Q	B	-0.7874
75	S	B	-0.9479
76	D	B	-1.4268
77	T	B	-0.1554
78	V	B	1.0686
79	S	B	0.0671
80	S	B	-0.2304
81	W	B	0.0695
82	T	B	0.1306
83	V	B	0.2041
84	R	B	-0.0193
85	A	B	0.0000
86	V	B	0.0000
87	V	B	0.0000
88	Q	B	-0.6828
89	V	B	0.0000
90	R	B	-1.1671
91	T	B	0.0355
92	I	B	1.0572
93	V	B	1.7325
94	G	B	-0.1423
95	D	B	-2.4220
96	T	B	-2.4919
97	K	B	-3.8670
98	D	B	-4.0084
99	K	B	-3.5942
100	T	B	-2.0857
101	H	B	-1.8697
102	T	B	-0.9350
103	C	B	0.1299
104	P	B	-0.0192
105	P	B	0.1062
106	C	B	0.5227
107	P	B	-0.4067
108	A	B	-0.5530
109	P	B	-1.1138
110	E	B	-2.0774
111	A	B	-1.1813
112	A	B	-0.9806
113	G	B	-1.1429
114	G	B	-0.8679
115	P	B	0.0000
116	S	B	-0.2710
117	V	B	0.0000
118	F	B	-0.1267
119	L	B	0.0000
120	F	B	0.0000
121	P	B	-0.2789
122	P	B	0.0000
123	K	B	0.0000
124	P	B	0.0000
125	K	B	-0.0852
126	D	B	0.0000
127	T	B	0.0000
128	L	B	0.0000
129	M	B	0.8874
130	I	B	1.9722
131	S	B	0.8514
132	R	B	0.0000
133	T	B	0.5758
134	P	B	0.0000
135	E	B	-0.0816
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	-1.1703
143	V	B	0.0000
144	S	B	-2.0879
145	H	B	-2.6445
146	E	B	-3.0272
147	D	B	-2.6984
148	P	B	-2.7872
149	E	B	-3.0892
150	V	B	-1.9159
151	K	B	-2.2365
152	F	B	-1.2150
153	N	B	-1.1560
154	W	B	0.0000
155	Y	B	-0.5716
156	V	B	-0.8099
157	D	B	-2.0397
158	G	B	-0.8388
159	V	B	0.6131
160	E	B	-0.6365
161	V	B	-0.5260
162	H	B	-1.8620
163	N	B	-2.1574
164	A	B	-1.7545
165	K	B	-2.3079
166	T	B	-1.7654
167	K	B	-1.7477
168	P	B	-1.6530
169	R	B	-2.1467
170	E	B	-1.9135
171	E	B	-2.3467
172	Q	B	0.0000
173	Y	B	0.0250
174	N	B	-0.7374
175	S	B	-0.9311
176	T	B	-1.4287
177	Y	B	-1.6254
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	-0.3400
185	V	B	0.0000
186	L	B	0.8599
187	H	B	0.0000
188	Q	B	-1.0780
189	D	B	-1.2903
190	W	B	0.0000
191	L	B	-0.9191
192	N	B	-1.9527
193	G	B	-1.9529
194	K	B	-2.0352
195	E	B	-1.9025
196	Y	B	0.0000
197	K	B	-1.5071
198	C	B	0.0000
199	K	B	-1.5111
200	V	B	0.0000
201	S	B	-1.5324
202	N	B	0.0000
203	K	B	-2.6628
204	A	B	-1.5680
205	L	B	-0.8226
206	G	B	-1.0371
207	A	B	-0.5527
208	P	B	-1.0248
209	I	B	-0.7935
210	E	B	-1.9943
211	K	B	-1.2434
212	T	B	-0.8867
213	I	B	0.0000
214	S	B	0.0000
215	K	B	-1.1388
216	A	B	-1.0823
217	K	B	-1.9701
218	G	B	-1.8730
219	Q	B	-2.1465
220	P	B	-1.9074
221	R	B	-2.4454
222	E	B	-2.7818
223	P	B	0.0000
224	Q	B	-1.3300
225	V	B	0.0000
226	Y	B	0.0000
227	T	B	-0.7816
228	L	B	0.0000
229	P	B	-0.3879
230	P	B	-0.8587
231	S	B	0.0000
232	R	B	-2.6554
233	D	B	-2.7971
234	E	B	0.0000
235	L	B	-1.8208
236	T	B	-1.5788
237	K	B	-2.1598
238	N	B	-2.3953
239	Q	B	-2.1492
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	-0.7683
248	G	B	-1.3419
249	F	B	0.0000
250	Y	B	0.0000
251	P	B	0.0000
252	S	B	-0.5163
253	D	B	-0.7284
254	I	B	0.0000
255	A	B	-0.1865
256	V	B	0.0000
257	E	B	-0.7981
258	W	B	0.0000
259	E	B	-1.5845
260	S	B	0.0000
261	N	B	-1.8777
262	G	B	-1.7643
263	Q	B	-2.1612
264	P	B	-1.6609
265	E	B	0.0000
266	N	B	-1.5181
267	N	B	-1.2506
268	Y	B	-0.6594
269	K	B	0.0000
270	T	B	0.0000
271	T	B	0.0000
272	P	B	0.1106
273	P	B	-0.0955
274	V	B	0.0000
275	L	B	-0.2319
276	D	B	-0.9380
277	S	B	-1.5266
278	D	B	-2.0804
279	G	B	-1.1401
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	-0.7233
289	V	B	0.0000
290	D	B	-2.1860
291	K	B	-2.3978
292	S	B	-2.1095
293	R	B	-1.9800
294	W	B	0.0000
295	Q	B	-2.3259
296	Q	B	-2.1542
297	G	B	-1.2715
298	N	B	-0.8956
299	V	B	0.0049
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	-1.0794
308	A	B	-1.5976
309	L	B	-1.4089
310	H	B	-1.7123
311	N	B	-1.6136
312	H	B	-0.8635
313	Y	B	-0.2614
314	T	B	-0.5886
315	Q	B	-0.9304
316	K	B	-1.0148
317	S	B	-0.5341
318	L	B	0.0000
319	S	B	-0.2175
320	L	B	-0.3692
321	S	B	-0.6245
322	P	B	-1.1024
323	G	B	-1.4188
324	K	B	-2.0301