Project name: ECD_3_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLNNIMLRLGCTLERSKIKEVKNKPKVIDLALEAQFTTMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLLSSRMKGDLNLSLVMTTCSTRCARENMAELLEKYSRGIYDGDLKDKVPYKGIDISLELVLKPCTEGIELKSKRPQLLRPLMKELEKKVEELTKEVTELSKKNVGKSIMFAMTPKILETSSLMPRLGYLKGLEISEKACLNGRCRRTVSVETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMENQLKEGDELVERLKKEEKEKE
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]                                                (00:00:01)
[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 A 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                                          (00:06:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:03)

• Minimal score value: -5.4575
• Maximal score value: 2.1281
• Average score: -1.1743
• Total score value: -354.64

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	-0.4006
2	F	A	1.1783
3	T	A	0.6142
4	L	A	0.2299
5	P	A	-0.3808
6	P	A	-1.0731
7	N	A	-2.2348
8	F	A	0.0000
9	G	A	-1.4623
10	K	A	-2.3691
11	R	A	-1.5508
12	P	A	-0.7006
13	T	A	-0.6978
14	D	A	-0.7278
15	L	A	0.7545
16	E	A	-0.3559
17	L	A	0.0000
18	S	A	0.7485
19	V	A	1.2376
20	K	A	-0.3030
21	L	A	0.0000
22	V	A	0.2627
23	E	A	-0.7151
24	M	A	0.0000
25	L	A	0.0000
26	N	A	-0.7907
27	N	A	0.0000
28	I	A	0.0000
29	M	A	0.0000
30	L	A	-0.6864
31	R	A	-1.3149
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.3356
36	L	A	0.0000
37	E	A	-2.7421
38	R	A	-3.4526
39	S	A	-2.6776
40	K	A	-3.0507
41	I	A	-2.9586
42	K	A	-4.3169
43	E	A	-4.4180
44	V	A	0.0000
45	K	A	-4.3378
46	N	A	-3.9843
47	K	A	-4.1327
48	P	A	-3.1858
49	K	A	-3.2133
50	V	A	0.0000
51	I	A	0.0000
52	D	A	-2.9313
53	L	A	-1.5681
54	A	A	0.0000
55	L	A	-1.2979
56	E	A	-2.0601
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.6104
60	T	A	-0.8886
61	T	A	-0.8762
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-2.1207
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.3414
68	E	A	-2.3840
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-1.9520
72	V	A	0.0928
73	F	A	-1.1954
74	R	A	-2.4742
75	L	A	-1.9016
76	K	A	-2.6360
77	N	A	-2.1685
78	I	A	-0.4579
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	-0.1586
94	L	A	0.4358
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.3835
98	L	A	0.0000
99	S	A	0.0000
100	S	A	-1.3818
101	R	A	-2.6000
102	M	A	0.0000
103	K	A	-2.6559
104	G	A	0.0000
105	D	A	-1.4385
106	L	A	-0.2114
107	N	A	-0.5246
108	L	A	0.0000
109	S	A	0.0000
110	L	A	0.0658
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.1444
115	C	A	-0.3054
116	S	A	0.0000
117	T	A	0.0000
118	R	A	-1.8512
119	C	A	-1.4684
120	A	A	0.0000
121	R	A	-3.4913
122	E	A	-3.4639
123	N	A	-2.3375
124	M	A	0.0000
125	A	A	-2.0932
126	E	A	-2.5720
127	L	A	-1.5817
128	L	A	0.0000
129	E	A	-2.3721
130	K	A	-2.4019
131	Y	A	-1.7057
132	S	A	0.0000
133	R	A	-2.9001
134	G	A	-2.0473
135	I	A	-1.5360
136	Y	A	-1.8658
137	D	A	-2.6483
138	G	A	-2.5948
139	D	A	-3.4018
140	L	A	-3.0861
141	K	A	-3.3302
142	D	A	-2.9355
143	K	A	-2.1230
144	V	A	0.0000
145	P	A	-1.0789
146	Y	A	-0.8871
147	K	A	-1.4604
148	G	A	-0.6420
149	I	A	0.0000
150	D	A	-2.2100
151	I	A	-0.5072
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-1.8805
155	L	A	-0.7826
156	V	A	0.0000
157	L	A	0.0000
158	K	A	-2.2101
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-1.7381
162	E	A	-2.7342
163	G	A	0.0000
164	I	A	0.0000
165	E	A	-3.3702
166	L	A	-2.3263
167	K	A	-2.5763
168	S	A	-2.8799
169	K	A	-3.1949
170	R	A	-3.1354
171	P	A	-2.3414
172	Q	A	-1.9881
173	L	A	-0.7454
174	L	A	-1.4448
175	R	A	-2.3174
176	P	A	-1.6552
177	L	A	-1.7859
178	M	A	-2.4376
179	K	A	-4.1021
180	E	A	-4.3532
181	L	A	0.0000
182	E	A	-4.7458
183	K	A	-5.0473
184	K	A	-4.2186
185	V	A	-3.8533
186	E	A	-4.6917
187	E	A	-4.4654
188	L	A	0.0000
189	T	A	-2.9154
190	K	A	-3.6139
191	E	A	-3.4044
192	V	A	0.0000
193	T	A	-2.5049
194	E	A	-3.2537
195	L	A	0.0000
196	S	A	-2.2049
197	K	A	-3.4246
198	K	A	-3.1931
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.1260
202	K	A	-1.5517
203	S	A	0.2651
204	I	A	0.6323
205	M	A	1.4817
206	F	A	2.1281
207	A	A	1.3127
208	M	A	0.0000
209	T	A	0.2744
210	P	A	-0.5415
211	K	A	-1.3568
212	I	A	0.0000
213	L	A	-0.2520
214	E	A	-1.5738
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.9411
218	L	A	-0.2411
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-0.9559
222	L	A	0.0272
223	G	A	0.0000
224	Y	A	0.0000
225	L	A	0.0788
226	K	A	-0.8714
227	G	A	0.0000
228	L	A	-1.1093
229	E	A	-2.4669
230	I	A	-1.4352
231	S	A	0.0000
232	E	A	-3.1661
233	K	A	-2.6333
234	A	A	-1.4853
235	C	A	-0.9119
236	L	A	-1.3581
237	N	A	-2.1929
238	G	A	-2.2626
239	R	A	-3.0362
240	C	A	0.0000
241	R	A	-2.3632
242	R	A	-1.9198
243	T	A	0.0000
244	V	A	0.0000
245	S	A	0.0000
246	V	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	-0.1369
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	0.2833
262	V	A	1.0847
263	A	A	0.1034
264	F	A	0.0000
265	P	A	-0.1163
266	P	A	-0.7866
267	E	A	-1.1508
268	V	A	0.8689
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	0.1006
278	L	A	0.0394
279	Y	A	0.0000
280	M	A	-0.5061
281	E	A	-1.7822
282	N	A	-1.5552
283	Q	A	0.0000
284	L	A	-1.4214
285	K	A	-2.8545
286	E	A	0.0000
287	G	A	0.0000
288	D	A	-3.8594
289	E	A	-3.8995
290	L	A	-2.9618
291	V	A	0.0000
292	E	A	-4.7743
293	R	A	-4.4730
294	L	A	-3.8742
295	K	A	-4.4482
296	K	A	-5.2519
297	E	A	-5.4575
298	E	A	-4.8743
299	K	A	-5.2399
300	E	A	-5.2803
301	K	A	-4.7869
302	E	A	-4.0963