Project name: ECD_13_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVKMLENIMLRDGCTLEESKIKEVLDKPKYINLALEAQFSIMPKTALELAKVFRLKNIEALTILVCGCSPTGNLSNLFSLKLKGDPNLSLVMTTCSTLCANKHMPELLEKYSRGIYDGDLKDKVPYKGILISLELVLKPCTEGIELKSKRPQLLREELKKLEEEIEKLSKEVTRLSKENVGKSIMFAMTPKILKTSSLMPKLGFEKGLKISEEACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQLKEGEKIIKEYKEEEKLKE
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                                          (00:06:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:23)

• Minimal score value: -4.8709
• Maximal score value: 2.3458
• Average score: -1.0463
• Total score value: -315.9855

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	-0.3180
2	F	A	1.3243
3	T	A	0.6554
4	L	A	-0.0141
5	P	A	-0.2257
6	P	A	-1.0822
7	N	A	-2.2491
8	F	A	0.0000
9	G	A	-1.3879
10	K	A	-2.3213
11	R	A	-1.5578
12	P	A	-0.8924
13	T	A	-0.7500
14	D	A	-0.7338
15	L	A	0.6952
16	E	A	-0.4171
17	L	A	0.0000
18	S	A	0.8514
19	V	A	1.4317
20	K	A	0.0353
21	L	A	0.0000
22	V	A	0.3627
23	K	A	-0.5544
24	M	A	-0.7454
25	L	A	0.0000
26	E	A	-1.0107
27	N	A	0.0000
28	I	A	-0.5108
29	M	A	0.0000
30	L	A	-0.9037
31	R	A	-1.3365
32	D	A	-0.4077
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.4645
36	L	A	-0.9742
37	E	A	-2.0882
38	E	A	-3.0233
39	S	A	-2.5344
40	K	A	-2.7212
41	I	A	-2.3599
42	K	A	-3.3782
43	E	A	-3.6350
44	V	A	0.0000
45	L	A	-1.1525
46	D	A	-2.7239
47	K	A	-2.4783
48	P	A	-1.7640
49	K	A	-2.3355
50	Y	A	-1.2832
51	I	A	-1.0615
52	N	A	-2.0637
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.7419
56	E	A	-1.6084
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	S	A	-0.8553
61	I	A	-0.6680
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.9092
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.2586
68	E	A	-2.2428
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.6635
72	V	A	0.2201
73	F	A	-1.0612
74	R	A	-2.3841
75	L	A	-1.7736
76	K	A	-2.5029
77	N	A	-1.8892
78	I	A	-0.4441
79	E	A	0.0000
80	A	A	0.0000
81	L	A	0.0000
82	T	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	-0.3024
94	L	A	0.2750
95	S	A	0.0000
96	N	A	0.0493
97	L	A	1.0026
98	F	A	0.0000
99	S	A	0.0000
100	L	A	0.1495
101	K	A	-1.0714
102	L	A	0.0000
103	K	A	-2.3201
104	G	A	0.0000
105	D	A	-1.8479
106	P	A	-0.9696
107	N	A	-1.7222
108	L	A	0.0000
109	S	A	0.0000
110	L	A	-0.6028
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	0.3374
118	L	A	0.4625
119	C	A	-0.1492
120	A	A	0.0000
121	N	A	-1.0704
122	K	A	-2.2124
123	H	A	-1.7830
124	M	A	0.0000
125	P	A	-2.0030
126	E	A	-2.9735
127	L	A	-1.9842
128	L	A	0.0000
129	E	A	-2.9863
130	K	A	-2.5951
131	Y	A	0.0000
132	S	A	0.0000
133	R	A	-3.2401
134	G	A	-1.9454
135	I	A	-1.5091
136	Y	A	-2.0610
137	D	A	-2.7684
138	G	A	-2.7578
139	D	A	-3.6908
140	L	A	0.0000
141	K	A	-3.5827
142	D	A	-3.4430
143	K	A	-2.6088
144	V	A	0.0000
145	P	A	-1.3440
146	Y	A	-1.3308
147	K	A	-1.1858
148	G	A	-0.1615
149	I	A	0.0000
150	L	A	0.0073
151	I	A	0.8584
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-0.5888
155	L	A	-0.3579
156	V	A	0.0000
157	L	A	-0.9748
158	K	A	-2.2575
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-1.5882
162	E	A	-2.5832
163	G	A	0.0000
164	I	A	-1.7099
165	E	A	-2.7284
166	L	A	-2.1017
167	K	A	-2.4419
168	S	A	-2.6067
169	K	A	-2.9141
170	R	A	-2.7371
171	P	A	-2.1327
172	Q	A	-2.2299
173	L	A	-1.4662
174	L	A	0.0000
175	R	A	-3.4603
176	E	A	-3.7114
177	E	A	-3.2919
178	L	A	-3.2246
179	K	A	-4.7033
180	K	A	-4.7870
181	L	A	0.0000
182	E	A	-4.2419
183	E	A	-4.8709
184	E	A	-4.1023
185	I	A	-3.5271
186	E	A	-4.4084
187	K	A	-4.1002
188	L	A	0.0000
189	S	A	-2.6869
190	K	A	-3.4086
191	E	A	-2.7890
192	V	A	0.0000
193	T	A	-2.1993
194	R	A	-3.3762
195	L	A	-2.6249
196	S	A	0.0000
197	K	A	-3.5224
198	E	A	-3.3944
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.1166
202	K	A	-1.6295
203	S	A	0.2265
204	I	A	0.5914
205	M	A	1.5164
206	F	A	2.3458
207	A	A	1.5612
208	M	A	1.0505
209	T	A	0.3860
210	P	A	-0.4102
211	K	A	-1.1795
212	I	A	0.0000
213	L	A	-0.2144
214	K	A	-1.4660
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.8377
218	L	A	-0.2414
219	M	A	0.0000
220	P	A	0.0000
221	K	A	-1.1319
222	L	A	-0.4705
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-2.0208
226	K	A	-1.7033
227	G	A	0.0000
228	L	A	-1.7056
229	K	A	-2.7104
230	I	A	-1.9157
231	S	A	0.0000
232	E	A	-2.4855
233	E	A	-2.4133
234	A	A	-1.4123
235	C	A	-0.7666
236	L	A	0.0000
237	N	A	-2.1943
238	G	A	-2.3062
239	R	A	-3.0447
240	C	A	0.0000
241	R	A	-2.1298
242	R	A	-1.4222
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	M	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	-0.1256
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	0.5655
262	V	A	1.3118
263	A	A	0.2486
264	F	A	0.0000
265	P	A	-0.0844
266	P	A	-0.6792
267	E	A	-1.1005
268	V	A	0.7846
269	I	A	0.0000
270	G	A	0.0000
271	P	A	0.0000
272	L	A	0.6151
273	F	A	0.0000
274	F	A	0.6580
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.4214
278	L	A	0.2403
279	Y	A	0.0000
280	M	A	-0.3257
281	E	A	-1.4911
282	Q	A	0.0000
283	Q	A	0.0000
284	L	A	-1.4947
285	K	A	-2.9530
286	E	A	-2.5476
287	G	A	0.0000
288	E	A	-3.3744
289	K	A	-3.3965
290	I	A	-2.2535
291	I	A	0.0000
292	K	A	-4.2189
293	E	A	-4.0094
294	Y	A	-3.8495
295	K	A	-4.7282
296	E	A	-4.8492
297	E	A	-4.5231
298	E	A	-4.2186
299	K	A	-4.0174
300	L	A	-2.1244
301	K	A	-3.2693
302	E	A	-3.1285