Project name: DAEM

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:32)

• Minimal score value: -3.4391
• Maximal score value: 1.7878
• Average score: -0.6848
• Total score value: -794.42

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	M	A	0.6020
2	N	A	-0.5573
3	R	A	-1.1054
4	I	A	0.0000
5	G	A	0.0000
6	I	A	0.0000
7	Y	A	0.0000
8	Y	A	0.0000
9	A	A	0.0000
10	Y	A	0.0000
11	W	A	-0.3975
12	E	A	-1.1783
13	Q	A	-1.7879
14	N	A	-1.8987
15	W	A	-1.0902
16	S	A	-1.1335
17	T	A	-1.2331
18	D	A	-1.7596
19	I	A	0.0000
20	F	A	-0.7500
21	S	A	-0.8926
22	Y	A	0.0000
23	P	A	0.0000
24	K	A	-2.7072
25	R	A	-2.2816
26	V	A	0.0000
27	K	A	-2.6735
28	Q	A	-2.6308
29	L	A	-1.9084
30	G	A	-1.2560
31	F	A	0.0000
32	D	A	-1.2689
33	I	A	0.0000
34	L	A	0.0000
35	E	A	0.0000
36	V	A	0.0000
37	K	A	-0.1869
38	L	A	0.0000
39	S	A	-0.3189
40	L	A	-0.5549
41	I	A	0.0000
42	T	A	0.0000
43	Q	A	-1.4806
44	M	A	-1.5554
45	S	A	-2.1465
46	E	A	-3.4391
47	H	A	-3.0350
48	E	A	-2.6605
49	R	A	-2.7260
50	N	A	-2.9538
51	D	A	-1.9463
52	L	A	0.0000
53	K	A	-1.9891
54	L	A	-0.6136
55	K	A	-1.5566
56	A	A	0.0000
57	Q	A	-2.1544
58	E	A	-2.5520
59	H	A	-2.4141
60	T	A	-1.6231
61	V	A	0.0000
62	E	A	-1.1694
63	L	A	0.0000
64	T	A	0.0000
65	F	A	0.0000
66	C	A	0.0000
67	D	A	0.0000
68	A	A	-0.0440
69	L	A	0.0000
70	T	A	-1.2854
71	E	A	-2.5522
72	N	A	-2.2278
73	I	A	-1.5308
74	D	A	0.0000
75	I	A	0.0000
76	S	A	0.0000
77	S	A	0.0000
78	P	A	-0.4145
79	D	A	-0.5157
80	Y	A	0.5236
81	T	A	-0.2755
82	I	A	-1.0295
83	R	A	-1.2079
84	K	A	-1.5058
85	R	A	-1.9447
86	G	A	0.0000
87	I	A	0.0000
88	E	A	-3.1026
89	Y	A	-2.0388
90	L	A	0.0000
91	K	A	-2.9918
92	R	A	-3.0371
93	G	A	0.0000
94	L	A	0.0000
95	D	A	-2.4176
96	A	A	0.0000
97	I	A	0.0000
98	H	A	-2.0844
99	K	A	-2.9294
100	L	A	0.0000
101	G	A	-1.6722
102	G	A	-1.0528
103	S	A	-0.3258
104	I	A	0.0000
105	L	A	0.0000
106	G	A	0.0000
107	G	A	0.0000
108	V	A	0.0000
109	L	A	0.0000
110	Y	A	0.0000
111	G	A	0.0000
112	A	A	0.0000
113	W	A	-0.5936
114	N	A	-1.2443
115	P	A	0.0000
116	P	A	-1.3991
117	E	A	-1.6985
118	E	A	-1.4202
119	E	A	-1.6876
120	W	A	0.1664
121	F	A	-0.4916
122	H	A	-1.6041
123	K	A	-1.7858
124	Q	A	-2.4155
125	D	A	-2.5159
126	R	A	0.0000
127	F	A	-1.4540
128	K	A	-2.0883
129	W	A	-1.2256
130	S	A	0.0000
131	V	A	0.0000
132	E	A	-2.1608
133	S	A	0.0000
134	M	A	0.0000
135	R	A	-2.7598
136	Q	A	-2.5509
137	V	A	0.0000
138	V	A	0.0000
139	K	A	-3.2225
140	T	A	-2.7216
141	A	A	0.0000
142	E	A	-2.7063
143	D	A	-2.8129
144	L	A	-1.8989
145	G	A	-1.4897
146	I	A	0.0000
147	I	A	-0.0816
148	C	A	0.0000
149	A	A	0.0000
150	I	A	0.0000
151	E	A	0.0000
152	A	A	0.0000
153	V	A	0.0000
154	N	A	0.0000
155	R	A	0.0000
156	Y	A	-0.1617
157	E	A	-0.3486
158	H	A	0.0000
159	F	A	0.0000
160	L	A	0.0000
161	I	A	0.0000
162	N	A	0.0000
163	T	A	0.4650
164	C	A	0.0000
165	F	A	1.6290
166	E	A	0.1014
167	A	A	0.0000
168	L	A	-0.3324
169	N	A	-1.4584
170	Y	A	0.0000
171	I	A	0.0000
172	K	A	-2.6266
173	M	A	-1.8116
174	V	A	0.0000
175	E	A	-2.7759
176	S	A	-1.9915
177	P	A	-1.0223
178	N	A	-1.3547
179	L	A	0.0000
180	K	A	-1.1276
181	I	A	0.0000
182	M	A	0.0000
183	L	A	0.0000
184	D	A	0.0000
185	T	A	0.0000
186	F	A	0.0000
187	H	A	0.0000
188	M	A	0.0000
189	N	A	0.0000
190	I	A	0.0000
191	E	A	0.0000
192	E	A	-0.3615
193	D	A	-0.7173
194	S	A	-0.6165
195	I	A	0.0000
196	Y	A	0.0000
197	N	A	-0.6975
198	A	A	0.0000
199	I	A	0.0000
200	L	A	0.2649
201	L	A	0.5331
202	A	A	0.0000
203	G	A	-1.0216
204	K	A	-2.3045
205	D	A	-1.5826
206	L	A	0.0000
207	G	A	0.0000
208	H	A	0.0000
209	L	A	0.0000
210	H	A	0.0000
211	I	A	0.0000
212	G	A	0.0000
213	E	A	0.0000
214	T	A	0.0000
215	N	A	0.0000
216	R	A	0.0000
217	K	A	-0.2556
218	P	A	0.0000
219	P	A	0.0000
220	G	A	-0.1767
221	R	A	0.0000
222	G	A	-0.5572
223	R	A	-0.6244
224	F	A	0.0000
225	P	A	-0.4490
226	W	A	0.0000
227	S	A	-0.4706
228	E	A	-0.7281
229	L	A	0.0000
230	M	A	0.0000
231	R	A	0.0000
232	A	A	0.0000
233	L	A	0.0000
234	R	A	-0.6247
235	I	A	0.2487
236	I	A	0.0000
237	E	A	-1.9653
238	Y	A	0.0000
239	P	A	-1.0586
240	G	A	-0.6565
241	R	A	-0.6763
242	I	A	0.0000
243	I	A	0.0000
244	M	A	0.0000
245	E	A	0.0000
246	P	A	0.0000
247	F	A	0.0000
248	V	A	0.0000
249	Q	A	-0.8371
250	V	A	-0.3471
251	G	A	-1.2068
252	G	A	-1.8220
253	E	A	-2.1164
254	I	A	0.0000
255	G	A	0.0000
256	R	A	-2.1146
257	D	A	-1.4471
258	I	A	-0.4717
259	R	A	-0.8033
260	V	A	0.0000
261	W	A	-0.3794
262	R	A	-0.8809
263	N	A	-1.6173
264	L	A	0.0000
265	A	A	0.0000
266	E	A	-2.5817
267	G	A	-1.7402
268	W	A	-1.7121
269	D	A	-2.5396
270	L	A	-1.5550
271	D	A	-2.3354
272	K	A	-2.3472
273	E	A	0.0000
274	A	A	0.0000
275	K	A	-1.4758
276	E	A	-0.8203
277	A	A	0.0000
278	L	A	0.0000
279	L	A	0.3899
280	F	A	0.0000
281	V	A	0.0000
282	R	A	-0.0713
283	A	A	0.0000
284	L	A	0.1553
285	L	A	0.0679
286	S	A	-0.1371
287	Q	A	0.0000
288	P	A	-0.5484
289	H	A	-0.7556
290	L	A	-0.3891
1	M	B	0.6036
2	N	B	-0.5655
3	R	B	-1.1191
4	I	B	0.0000
5	G	B	0.0000
6	I	B	0.0000
7	Y	B	0.0000
8	Y	B	0.0000
9	A	B	0.0000
10	Y	B	0.0000
11	W	B	0.0000
12	E	B	-1.2465
13	Q	B	-1.7995
14	N	B	-1.8935
15	W	B	-1.0717
16	S	B	-1.1207
17	T	B	-1.2294
18	D	B	-1.7806
19	I	B	0.0000
20	F	B	-0.8550
21	S	B	-1.1080
22	Y	B	0.0000
23	P	B	0.0000
24	K	B	-3.1132
25	R	B	-2.3150
26	V	B	0.0000
27	K	B	-2.7513
28	Q	B	-2.6271
29	L	B	-1.9497
30	G	B	-1.2377
31	F	B	0.0000
32	D	B	-1.2626
33	I	B	0.0000
34	L	B	0.0000
35	E	B	0.0000
36	V	B	0.0000
37	K	B	-0.1900
38	L	B	0.0000
39	S	B	-0.3169
40	L	B	-0.5489
41	I	B	0.0000
42	T	B	0.0000
43	Q	B	-1.4771
44	M	B	-1.5505
45	S	B	-2.1401
46	E	B	-3.4346
47	H	B	-3.0258
48	E	B	-2.6487
49	R	B	-2.7645
50	N	B	-2.9934
51	D	B	-1.9360
52	L	B	0.0000
53	K	B	-1.9661
54	L	B	-0.5995
55	K	B	-1.6658
56	A	B	0.0000
57	Q	B	-2.1167
58	E	B	-2.5836
59	H	B	-2.4467
60	T	B	-1.6343
61	V	B	0.0000
62	E	B	-1.0936
63	L	B	0.0000
64	T	B	0.0000
65	F	B	0.0000
66	C	B	0.0000
67	D	B	0.0000
68	A	B	-0.0429
69	L	B	0.0000
70	T	B	-1.3021
71	E	B	-2.4821
72	N	B	-2.2583
73	I	B	-1.5401
74	D	B	0.0000
75	I	B	0.0000
76	S	B	0.0000
77	S	B	0.0000
78	P	B	-0.4404
79	D	B	-0.6336
80	Y	B	0.4668
81	T	B	-0.3167
82	I	B	-1.0717
83	R	B	-1.2727
84	K	B	-1.5520
85	R	B	-1.9167
86	G	B	0.0000
87	I	B	0.0000
88	E	B	-3.0661
89	Y	B	-1.9872
90	L	B	0.0000
91	K	B	-2.8370
92	R	B	-2.9831
93	G	B	0.0000
94	L	B	0.0000
95	D	B	-2.3761
96	A	B	0.0000
97	I	B	0.0000
98	H	B	-2.0817
99	K	B	-2.9246
100	L	B	0.0000
101	G	B	-1.7805
102	G	B	-1.0340
103	S	B	-0.3152
104	I	B	0.0000
105	L	B	0.0000
106	G	B	0.0000
107	G	B	0.0000
108	V	B	0.0000
109	L	B	0.0000
110	Y	B	0.0000
111	G	B	0.0000
112	A	B	0.0000
113	W	B	-0.5452
114	N	B	-1.0562
115	P	B	0.0000
116	P	B	-0.9662
117	E	B	-0.7971
118	E	B	-0.8945
119	E	B	-1.2277
120	W	B	0.5553
121	F	B	-0.1154
122	H	B	-1.4587
123	K	B	-1.7454
124	Q	B	-2.4568
125	D	B	-2.4913
126	R	B	0.0000
127	F	B	-1.7673
128	K	B	-2.6622
129	W	B	-1.5754
130	S	B	0.0000
131	V	B	0.0000
132	E	B	-2.7866
133	S	B	0.0000
134	M	B	0.0000
135	R	B	-3.1896
136	Q	B	-2.9231
137	V	B	0.0000
138	V	B	0.0000
139	K	B	-3.1012
140	T	B	-2.5411
141	A	B	0.0000
142	E	B	-2.0913
143	D	B	-2.5132
144	L	B	-1.6991
145	G	B	-1.2744
146	I	B	0.0000
147	I	B	0.0268
148	C	B	0.0000
149	A	B	0.0000
150	I	B	0.0000
151	E	B	0.0000
152	A	B	0.0000
153	V	B	0.0000
154	N	B	0.0000
155	R	B	0.0000
156	Y	B	0.0072
157	E	B	0.0000
158	H	B	0.0000
159	F	B	0.0000
160	L	B	0.0000
161	I	B	0.0000
162	N	B	0.0000
163	T	B	0.0000
164	C	B	0.0000
165	F	B	1.6378
166	E	B	0.1205
167	A	B	0.0000
168	L	B	-0.3163
169	N	B	-1.3666
170	Y	B	0.0000
171	I	B	0.0000
172	K	B	-2.5922
173	M	B	-1.9151
174	V	B	0.0000
175	E	B	-2.7928
176	S	B	-1.9250
177	P	B	-0.9141
178	N	B	-1.1791
179	L	B	0.0000
180	K	B	-1.1367
181	I	B	0.0000
182	M	B	0.0000
183	L	B	0.0000
184	D	B	0.0000
185	T	B	0.0000
186	F	B	0.0000
187	H	B	0.0000
188	M	B	0.0000
189	N	B	0.0000
190	I	B	0.0000
191	E	B	0.0000
192	E	B	-0.3209
193	D	B	-0.6635
194	S	B	-0.5141
195	I	B	0.0000
196	Y	B	0.0000
197	N	B	-0.3965
198	A	B	0.0000
199	I	B	0.0000
200	L	B	0.3584
201	L	B	0.6096
202	A	B	0.0000
203	G	B	-0.9843
204	K	B	-2.3039
205	D	B	-1.5908
206	L	B	0.0000
207	G	B	0.0000
208	H	B	0.0000
209	L	B	0.0000
210	H	B	0.0000
211	I	B	0.0000
212	G	B	0.0000
213	E	B	0.0000
214	T	B	0.0000
215	N	B	0.0000
216	R	B	0.0000
217	K	B	-0.2922
218	P	B	0.0000
219	P	B	0.0000
220	G	B	0.0000
221	R	B	0.0000
222	G	B	-0.4930
223	R	B	-0.6122
224	F	B	0.0000
225	P	B	-0.4238
226	W	B	0.0000
227	S	B	-0.5498
228	E	B	-0.7663
229	L	B	0.0000
230	M	B	0.0000
231	R	B	-0.4877
232	A	B	0.0000
233	L	B	0.0000
234	R	B	-0.6194
235	I	B	0.2992
236	I	B	0.0000
237	E	B	-1.9559
238	Y	B	0.0000
239	P	B	-1.0528
240	G	B	-0.6674
241	R	B	-0.6994
242	I	B	0.0000
243	I	B	0.0000
244	M	B	0.0000
245	E	B	-0.2144
246	P	B	0.0000
247	F	B	0.0000
248	V	B	0.0000
249	Q	B	-0.9130
250	V	B	-0.4075
251	G	B	-1.2709
252	G	B	-1.8329
253	E	B	-2.1747
254	I	B	0.0000
255	G	B	0.0000
256	R	B	-2.3636
257	D	B	-1.6667
258	I	B	0.0000
259	R	B	-1.1212
260	V	B	0.0000
261	W	B	-0.4679
262	R	B	-0.9069
263	N	B	-1.6291
264	L	B	0.0000
265	A	B	0.0000
266	E	B	-2.4670
267	G	B	-1.5353
268	W	B	-1.3328
269	D	B	-1.7041
270	L	B	-1.1634
271	D	B	-1.9072
272	K	B	-2.5336
273	E	B	-1.6114
274	A	B	0.0000
275	K	B	-1.6911
276	E	B	-1.2083
277	A	B	0.0000
278	L	B	0.0000
279	L	B	0.1049
280	F	B	0.0000
281	V	B	0.0000
282	R	B	-0.1633
283	A	B	0.0000
284	L	B	0.1179
285	L	B	0.0534
286	S	B	-0.1049
287	Q	B	0.0000
288	P	B	-0.4618
289	H	B	-0.7232
290	L	B	-0.1131
1	M	C	0.5736
2	N	C	-0.6076
3	R	C	-1.1943
4	I	C	0.0000
5	G	C	0.0000
6	I	C	0.0000
7	Y	C	0.0000
8	Y	C	0.0000
9	A	C	0.0000
10	Y	C	0.0000
11	W	C	-0.3453
12	E	C	-1.1862
13	Q	C	-1.7461
14	N	C	-1.8466
15	W	C	-1.0725
16	S	C	-1.1234
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