Project name: ECD_30_1st

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

• Minimal score value: -5.1305
• Maximal score value: 2.4441
• Average score: -1.1606
• Total score value: -350.4921

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	-0.5270
2	F	A	0.9163
3	T	A	0.4951
4	L	A	0.1974
5	P	A	-0.4406
6	P	A	-1.0699
7	N	A	-2.2547
8	F	A	0.0000
9	G	A	-1.5015
10	K	A	-2.3954
11	R	A	-1.5673
12	P	A	-0.7334
13	T	A	-0.7905
14	D	A	-0.7782
15	L	A	0.5874
16	E	A	-0.5451
17	L	A	0.0000
18	S	A	0.5616
19	V	A	0.7290
20	K	A	-0.3486
21	L	A	0.0000
22	V	A	-0.0522
23	E	A	-0.7685
24	M	A	-0.8730
25	L	A	0.0000
26	E	A	-1.3591
27	T	A	0.0000
28	I	A	-0.4979
29	M	A	0.0000
30	F	A	-0.8745
31	R	A	-1.2726
32	S	A	-0.2344
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.6651
36	L	A	0.0000
37	E	A	-2.1199
38	E	A	-2.2923
39	S	A	-2.2201
40	K	A	-2.6144
41	I	A	-2.3441
42	K	A	-3.4570
43	E	A	-3.3583
44	V	A	-2.1262
45	K	A	-2.3810
46	A	A	-1.8819
47	K	A	-2.1535
48	P	A	-1.4466
49	K	A	-1.4135
50	Y	A	-0.9655
51	V	A	-1.0695
52	D	A	-2.1781
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.5709
56	E	A	-1.2921
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.2685
60	S	A	-0.5495
61	I	A	0.0000
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.4184
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.0399
68	E	A	-1.9824
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.1661
72	V	A	0.0517
73	F	A	-1.1984
74	R	A	-2.5709
75	L	A	-1.9464
76	K	A	-2.6357
77	N	A	-2.1796
78	I	A	-0.5163
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	-0.0037
94	L	A	0.3928
95	S	A	0.0000
96	N	A	0.0000
97	L	A	1.2075
98	F	A	0.0000
99	S	A	0.0000
100	L	A	0.6593
101	K	A	-0.9369
102	V	A	0.0000
103	K	A	-2.2030
104	G	A	0.0000
105	D	A	-1.5547
106	P	A	-0.4669
107	N	A	-0.9956
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.1957
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.2057
115	C	A	0.0000
116	S	A	0.0000
117	T	A	-0.8971
118	E	A	-1.5901
119	C	A	-1.0613
120	A	A	0.0000
121	N	A	-2.3501
122	E	A	-2.8349
123	H	A	-2.0076
124	M	A	0.0000
125	V	A	-1.7970
126	D	A	-2.3641
127	L	A	0.0000
128	L	A	0.0000
129	T	A	-1.9654
130	K	A	-2.2565
131	Y	A	-1.4622
132	S	A	0.0000
133	R	A	-2.8576
134	G	A	-1.9189
135	I	A	-1.3200
136	Y	A	-1.9719
137	D	A	-2.7504
138	G	A	-2.6722
139	D	A	-3.6364
140	L	A	0.0000
141	K	A	-3.4077
142	D	A	-3.3806
143	K	A	-2.4895
144	V	A	0.0000
145	P	A	-1.4898
146	Y	A	-1.6570
147	K	A	-1.8882
148	G	A	-0.7815
149	I	A	0.0000
150	K	A	-2.3504
151	I	A	-0.6322
152	S	A	0.0000
153	L	A	0.0000
154	E	A	-2.5146
155	L	A	-1.4678
156	V	A	0.0000
157	N	A	-2.5530
158	K	A	-2.9760
159	P	A	-2.1580
160	C	A	-1.6461
161	T	A	-1.8561
162	E	A	-2.8393
163	G	A	0.0000
164	I	A	-1.5523
165	E	A	-3.0055
166	L	A	-2.3484
167	K	A	-2.2617
168	S	A	-2.5195
169	K	A	-3.2215
170	R	A	-3.2300
171	P	A	-2.3839
172	Q	A	-2.3896
173	L	A	-1.6706
174	L	A	-2.3471
175	R	A	-3.3522
176	K	A	-3.6136
177	K	A	-3.0189
178	V	A	-3.0200
179	K	A	-4.5335
180	E	A	-4.5223
181	L	A	0.0000
182	E	A	-3.9212
183	E	A	-4.6684
184	K	A	-3.8430
185	V	A	-3.4425
186	E	A	-4.2060
187	E	A	-4.2201
188	L	A	0.0000
189	S	A	-2.8328
190	K	A	-3.4898
191	E	A	-3.1648
192	V	A	0.0000
193	T	A	-2.3384
194	E	A	-3.5392
195	L	A	-2.6847
196	S	A	-2.2346
197	K	A	-3.5343
198	E	A	-3.3842
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.1556
202	K	A	-1.4341
203	S	A	0.4332
204	I	A	1.0030
205	M	A	1.7544
206	F	A	2.4441
207	A	A	0.0000
208	M	A	0.0000
209	T	A	0.4126
210	P	A	-0.4582
211	K	A	-1.2843
212	I	A	0.0000
213	L	A	-0.2724
214	K	A	-1.5801
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.8748
218	L	A	-0.3370
219	M	A	0.0000
220	P	A	0.0000
221	K	A	-1.2396
222	L	A	-0.7057
223	G	A	0.0000
224	Y	A	0.0000
225	E	A	-2.3886
226	K	A	-1.9305
227	G	A	0.0000
228	L	A	-1.8787
229	E	A	-2.7785
230	I	A	-1.9095
231	S	A	0.0000
232	E	A	-2.5070
233	K	A	-2.3316
234	A	A	-1.2534
235	C	A	-0.7829
236	L	A	0.0000
237	N	A	-2.3052
238	G	A	-2.5245
239	R	A	-3.3130
240	C	A	0.0000
241	R	A	-2.2624
242	R	A	-1.6183
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	-0.1170
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	0.4503
262	V	A	1.2586
263	A	A	-0.0070
264	F	A	0.0000
265	P	A	-0.2078
266	P	A	-0.9181
267	E	A	-1.4637
268	V	A	0.5495
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	0.2244
278	L	A	0.0700
279	Y	A	0.0000
280	M	A	-0.3650
281	E	A	-1.6530
282	N	A	-1.3624
283	Q	A	0.0000
284	T	A	-1.3448
285	A	A	-1.7390
286	E	A	-2.1653
287	G	A	0.0000
288	E	A	-3.1947
289	K	A	-3.3453
290	I	A	-2.5299
291	V	A	0.0000
292	K	A	-4.2590
293	E	A	-4.2196
294	I	A	-3.4038
295	K	A	-4.2621
296	E	A	-5.1305
297	E	A	-5.0949
298	E	A	-4.4572
299	K	A	-5.0769
300	K	A	-5.0543
301	K	A	-4.6339
302	E	A	-3.9944