Project name: ecd_575_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVKMLEKIMLASGCTLEESKIKEVKKKPKYIDLALKAQFEIMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLYSLQMKGDLNLSYVMTTCSTLCARENMVDLLEKYSRGIYDGDLKDKVPYKGIEISLKLVTKPCTEGIELKSKRPQLLRKELKKLKEEIEKLTKEVTELSKENVGKSIMFAMTPKILKTSSLMPRLGFEKGLELSEKACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMQEQLKEGEERVKKLKEEEKKKE
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                                          (00:07:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:22)

• Minimal score value: -5.4084
• Maximal score value: 2.3689
• Average score: -1.1411
• Total score value: -344.6158

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	-0.4208
2	F	A	1.1060
3	T	A	0.5839
4	L	A	0.2325
5	P	A	-0.2227
6	P	A	-1.0662
7	N	A	-2.2005
8	F	A	0.0000
9	G	A	-1.3121
10	K	A	-2.3074
11	R	A	-1.5592
12	P	A	-0.7633
13	T	A	-0.7230
14	D	A	-0.7196
15	L	A	0.6236
16	E	A	-0.4075
17	L	A	0.0000
18	S	A	0.7666
19	V	A	1.4032
20	K	A	-0.0082
21	L	A	0.0000
22	V	A	0.2552
23	K	A	-0.7007
24	M	A	-0.8996
25	L	A	0.0000
26	E	A	-1.2343
27	K	A	-1.2007
28	I	A	-0.5011
29	M	A	0.0000
30	L	A	-0.9056
31	A	A	0.0000
32	S	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.4566
36	L	A	0.0000
37	E	A	-2.2979
38	E	A	-2.3007
39	S	A	-1.8173
40	K	A	-2.2972
41	I	A	-2.0004
42	K	A	-3.3066
43	E	A	-3.1182
44	V	A	0.0000
45	K	A	-3.3974
46	K	A	-3.5607
47	K	A	-2.9868
48	P	A	-2.3045
49	K	A	-2.1226
50	Y	A	-1.5791
51	I	A	-1.4325
52	D	A	-2.1209
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.6056
56	K	A	-1.3324
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	-0.8278
60	E	A	-2.0029
61	I	A	-1.2409
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-2.5082
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.3994
68	E	A	-2.4297
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.0817
72	V	A	0.0927
73	F	A	-1.0524
74	R	A	-2.4910
75	L	A	-1.8700
76	K	A	-2.5985
77	N	A	-2.1253
78	I	A	-0.4967
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	-0.3141
94	L	A	0.4302
95	S	A	0.0000
96	N	A	0.5336
97	L	A	1.2480
98	Y	A	0.0000
99	S	A	0.0000
100	L	A	0.8249
101	Q	A	-0.4852
102	M	A	0.0000
103	K	A	-1.8666
104	G	A	0.0000
105	D	A	-1.4417
106	L	A	-0.1967
107	N	A	-0.8706
108	L	A	0.0000
109	S	A	0.0000
110	Y	A	-0.2429
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	0.0493
118	L	A	0.4390
119	C	A	-0.3505
120	A	A	0.0000
121	R	A	-2.7134
122	E	A	-3.0669
123	N	A	-2.2475
124	M	A	0.0000
125	V	A	-2.2600
126	D	A	-2.7760
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-2.9765
130	K	A	-2.7271
131	Y	A	0.0000
132	S	A	0.0000
133	R	A	-3.1381
134	G	A	-2.1456
135	I	A	-1.3248
136	Y	A	-1.9595
137	D	A	-2.7579
138	G	A	-2.6698
139	D	A	-3.5886
140	L	A	0.0000
141	K	A	-3.6505
142	D	A	-3.2894
143	K	A	-2.3057
144	V	A	0.0000
145	P	A	-1.5016
146	Y	A	-1.8667
147	K	A	-2.0565
148	G	A	-0.9868
149	I	A	0.0000
150	E	A	-2.2107
151	I	A	-0.4876
152	S	A	0.0000
153	L	A	0.0000
154	K	A	-1.9087
155	L	A	-0.8219
156	V	A	0.0000
157	T	A	-1.5763
158	K	A	-2.4621
159	P	A	-1.9133
160	C	A	0.0000
161	T	A	-1.8903
162	E	A	-2.8303
163	G	A	0.0000
164	I	A	-2.1039
165	E	A	-3.4284
166	L	A	-2.4634
167	K	A	-2.7759
168	S	A	-2.8133
169	K	A	-3.0642
170	R	A	-2.9440
171	P	A	-2.4437
172	Q	A	-2.2713
173	L	A	-1.4996
174	L	A	0.0000
175	R	A	-3.4392
176	K	A	-3.6473
177	E	A	-3.1723
178	L	A	-3.1467
179	K	A	-4.7193
180	K	A	-4.8703
181	L	A	0.0000
182	K	A	-4.6192
183	E	A	-5.0365
184	E	A	-4.0443
185	I	A	-3.6238
186	E	A	-4.4945
187	K	A	-4.1323
188	L	A	0.0000
189	T	A	-2.5912
190	K	A	-3.1734
191	E	A	-2.4085
192	V	A	0.0000
193	T	A	-2.0112
194	E	A	-2.8889
195	L	A	-2.3425
196	S	A	-2.0047
197	K	A	-3.2719
198	E	A	-3.2416
199	N	A	0.0000
200	V	A	0.0000
201	G	A	-2.1354
202	K	A	-1.4622
203	S	A	0.3694
204	I	A	0.8458
205	M	A	1.5501
206	F	A	2.3689
207	A	A	0.0000
208	M	A	0.0000
209	T	A	0.3592
210	P	A	-0.3902
211	K	A	-1.1154
212	I	A	0.0000
213	L	A	-0.0508
214	K	A	-1.2319
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.4919
218	L	A	-0.0390
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-0.8819
222	L	A	-0.4262
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-2.3576
226	K	A	-2.0220
227	G	A	0.0000
228	L	A	-2.1801
229	E	A	-3.3220
230	L	A	0.0000
231	S	A	0.0000
232	E	A	-3.0811
233	K	A	-2.6262
234	A	A	-1.5704
235	C	A	-0.9019
236	L	A	-1.3956
237	N	A	-2.2000
238	G	A	-2.3050
239	R	A	-2.9682
240	C	A	0.0000
241	R	A	-2.2753
242	R	A	-1.6347
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	-0.0751
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	0.2392
262	V	A	0.8773
263	A	A	-0.1629
264	F	A	0.0000
265	P	A	-0.0652
266	P	A	-0.6406
267	E	A	-0.9096
268	V	A	0.8298
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	0.9097
278	L	A	0.7015
279	Y	A	0.0000
280	M	A	0.0312
281	Q	A	-0.8768
282	E	A	-0.8350
283	Q	A	0.0000
284	L	A	-1.0089
285	K	A	-2.4248
286	E	A	-2.1450
287	G	A	0.0000
288	E	A	-3.1461
289	E	A	-3.9294
290	R	A	-3.2136
291	V	A	0.0000
292	K	A	-4.5500
293	K	A	-4.5567
294	L	A	-3.7873
295	K	A	-4.4536
296	E	A	-5.4084
297	E	A	-5.3095
298	E	A	-4.7084
299	K	A	-5.2262
300	K	A	-5.1656
301	K	A	-4.7014
302	E	A	-4.0414