Project name: ECD_16_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVALVEMLKNIMLLLGCTLEESKIKEVLEKPKYINLALEAQFNIMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLLSKLVKGDLNLSWVMTTCSTICAREKMPDLLEKYSRGIYDGDLKDKVPYKGIEISLELVTKPCTEGIEIKSKRPQLLRPLKKKLEEKVEELTKRVTELSKENVGKSIMFAMTPKILETSSLMPRLGIEKGYEISKKACLNGRCRRTVSLETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEKQLEEGLKIIEELKKKEKELE
Selected Chain(s)	A
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:29)

• Minimal score value: -5.3393
• Maximal score value: 2.2654
• Average score: -1.0833
• Total score value: -327.1424

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	-0.5420
2	F	A	0.8344
3	T	A	0.4523
4	L	A	-0.0309
5	P	A	-0.2632
6	P	A	-1.0670
7	N	A	-2.2781
8	F	A	0.0000
9	G	A	-1.4884
10	K	A	-2.3547
11	R	A	-1.4460
12	P	A	-0.6550
13	T	A	-0.4585
14	D	A	-0.4689
15	L	A	1.1972
16	E	A	0.4647
17	L	A	0.0000
18	S	A	1.3625
19	V	A	2.0575
20	A	A	0.0000
21	L	A	0.0000
22	V	A	0.6227
23	E	A	-0.0960
24	M	A	0.0000
25	L	A	0.0000
26	K	A	-0.9890
27	N	A	0.0000
28	I	A	-0.4200
29	M	A	0.0000
30	L	A	-0.5089
31	L	A	-0.7573
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.1265
36	L	A	0.0000
37	E	A	-2.1966
38	E	A	-3.2057
39	S	A	-2.4665
40	K	A	-2.7020
41	I	A	-2.1993
42	K	A	-3.2906
43	E	A	-3.4970
44	V	A	0.0000
45	L	A	-1.2379
46	E	A	-2.9758
47	K	A	-2.8745
48	P	A	-1.9497
49	K	A	-2.4584
50	Y	A	-1.3021
51	I	A	-1.0337
52	N	A	-1.9379
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.5431
56	E	A	-1.1301
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	N	A	-0.9958
61	I	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.9088
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.2351
68	E	A	-2.2720
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.8850
72	V	A	0.0912
73	F	A	-1.1493
74	R	A	-2.5059
75	L	A	-1.8764
76	K	A	-2.5574
77	N	A	-1.9330
78	I	A	-0.4884
79	E	A	0.0000
80	A	A	0.0000
81	L	A	0.0000
82	A	A	0.0000
83	I	A	0.0000
84	L	A	0.0000
85	V	A	0.0000
86	C	A	0.0000
87	G	A	0.0000
88	C	A	0.0000
89	S	A	0.0000
90	P	A	0.0000
91	T	A	0.0000
92	G	A	0.0000
93	N	A	-0.1035
94	L	A	0.2682
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.6863
98	L	A	0.0000
99	S	A	0.0000
100	K	A	-1.5676
101	L	A	-0.1446
102	V	A	0.0000
103	K	A	-2.5528
104	G	A	0.0000
105	D	A	-2.1114
106	L	A	-0.9732
107	N	A	-1.1225
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.2546
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	0.0000
115	C	A	0.0000
116	S	A	0.0000
117	T	A	0.0000
118	I	A	1.0247
119	C	A	-0.1365
120	A	A	0.0000
121	R	A	-2.4617
122	E	A	-3.0687
123	K	A	-2.3930
124	M	A	0.0000
125	P	A	-2.8474
126	D	A	-3.5174
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-3.8613
130	K	A	-3.4233
131	Y	A	0.0000
132	S	A	0.0000
133	R	A	-3.4201
134	G	A	-2.0107
135	I	A	-1.5078
136	Y	A	-1.9766
137	D	A	-2.6961
138	G	A	-2.6356
139	D	A	-3.7530
140	L	A	0.0000
141	K	A	-3.7704
142	D	A	-3.4583
143	K	A	-2.7438
144	V	A	0.0000
145	P	A	-1.5709
146	Y	A	-1.9244
147	K	A	-2.0140
148	G	A	-0.7379
149	I	A	0.0000
150	E	A	-2.2646
151	I	A	-0.3052
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-2.0429
155	L	A	-0.9684
156	V	A	0.0000
157	T	A	0.0000
158	K	A	-2.6366
159	P	A	-1.8969
160	C	A	0.0000
161	T	A	-1.6970
162	E	A	-2.7903
163	G	A	0.0000
164	I	A	-2.1615
165	E	A	-3.5276
166	I	A	-2.3917
167	K	A	-2.6745
168	S	A	-2.7945
169	K	A	-3.2015
170	R	A	-3.1230
171	P	A	-2.2978
172	Q	A	-1.9672
173	L	A	-0.8646
174	L	A	0.0000
175	R	A	-2.6807
176	P	A	-2.0162
177	L	A	-2.0231
178	K	A	-2.9122
179	K	A	-4.3432
180	K	A	-4.3962
181	L	A	0.0000
182	E	A	-4.6922
183	E	A	-5.1077
184	K	A	-4.2018
185	V	A	-3.5706
186	E	A	-4.6027
187	E	A	-4.3131
188	L	A	-2.7958
189	T	A	-2.7613
190	K	A	-3.6573
191	R	A	-3.1972
192	V	A	0.0000
193	T	A	-2.4695
194	E	A	-3.6539
195	L	A	0.0000
196	S	A	-2.3508
197	K	A	-3.6357
198	E	A	-3.4347
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.2708
202	K	A	-1.5448
203	S	A	0.2663
204	I	A	0.6804
205	M	A	1.6986
206	F	A	2.2654
207	A	A	1.4560
208	M	A	0.0000
209	T	A	0.3579
210	P	A	-0.4305
211	K	A	-1.3103
212	I	A	0.0000
213	L	A	-0.0439
214	E	A	-1.2796
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.9136
218	L	A	-0.0251
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-1.1703
222	L	A	-0.4113
223	G	A	0.0000
224	I	A	0.0000
225	E	A	-1.7711
226	K	A	-1.7295
227	G	A	0.0000
228	Y	A	-1.5091
229	E	A	-2.8177
230	I	A	-1.8892
231	S	A	0.0000
232	K	A	-2.7673
233	K	A	-2.4638
234	A	A	-1.4789
235	C	A	-0.8538
236	L	A	0.0000
237	N	A	-2.2281
238	G	A	-2.2762
239	R	A	-3.0842
240	C	A	0.0000
241	R	A	-2.0813
242	R	A	-1.7751
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	L	A	0.0000
247	E	A	0.0000
248	T	A	0.0000
249	G	A	0.0000
250	C	A	0.0000
251	R	A	0.0000
252	N	A	0.0000
253	V	A	0.0000
254	Q	A	-0.1450
255	L	A	0.0000
256	C	A	0.0000
257	S	A	0.0000
258	T	A	0.0000
259	I	A	0.0000
260	L	A	0.0000
261	N	A	0.5404
262	V	A	1.7486
263	A	A	0.2489
264	F	A	0.0000
265	P	A	-0.1121
266	P	A	-0.7889
267	E	A	-1.4240
268	V	A	0.5914
269	I	A	0.0000
270	G	A	0.0000
271	P	A	0.0000
272	L	A	0.0000
273	F	A	0.0000
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.2083
278	L	A	0.0600
279	Y	A	0.0000
280	M	A	-0.6979
281	E	A	-2.0624
282	K	A	-1.6083
283	Q	A	0.0000
284	L	A	-0.9104
285	E	A	-2.1126
286	E	A	0.0000
287	G	A	0.0000
288	L	A	-0.6084
289	K	A	-2.0757
290	I	A	-1.3009
291	I	A	-1.8166
292	E	A	-3.8262
293	E	A	-4.1356
294	L	A	-3.5607
295	K	A	-4.9195
296	K	A	-5.3393
297	K	A	-5.0721
298	E	A	-5.1181
299	K	A	-4.8392
300	E	A	-4.0818
301	L	A	-1.8974
302	E	A	-2.8085