Project name: ECD_304_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVALVEMLKNIMLATGCTLEESKIKEVLNKPKYIDLALKAQFEYMPKTALELAKVFRLKNIEALAILVCGCSPTGNLSNLFSLQLKGDLNLSWVMTTCSTKCAREHMPELLEKYSRGIYDGDLKDKVPYKGIEISLKLVEKPCTEGIELKSKRPQLLRELLKKLKKKIEELTKRVTELSKENVGKSIMFAMTPKILKTSSLMPRLGFEKGLELSEKACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMEQQLKEGEEIVEKYKKEEKEKE
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                                          (00:06:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:39)

• Minimal score value: -5.6743
• Maximal score value: 2.0746
• Average score: -1.2025
• Total score value: -363.1624

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	-0.6461
2	F	A	0.6310
3	T	A	0.1582
4	L	A	0.0997
5	P	A	-0.1296
6	P	A	-1.0129
7	N	A	-2.0177
8	F	A	-1.1922
9	G	A	-1.3809
10	K	A	-2.2265
11	R	A	-1.5010
12	P	A	-0.7210
13	T	A	-0.5207
14	D	A	-0.4994
15	L	A	0.9790
16	E	A	0.5005
17	L	A	0.4907
18	S	A	1.1156
19	V	A	2.0746
20	A	A	0.0000
21	L	A	1.0249
22	V	A	0.9062
23	E	A	-0.1172
24	M	A	-0.3202
25	L	A	0.1688
26	K	A	-1.1345
27	N	A	0.0000
28	I	A	0.0000
29	M	A	0.0000
30	L	A	-0.6440
31	A	A	0.0000
32	T	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.3372
36	L	A	0.0000
37	E	A	-3.1458
38	E	A	-3.4768
39	S	A	-2.7496
40	K	A	-2.9921
41	I	A	0.0000
42	K	A	-3.6641
43	E	A	-3.5970
44	V	A	0.0000
45	L	A	-1.4924
46	N	A	-2.5713
47	K	A	-2.4253
48	P	A	-1.6878
49	K	A	-1.9854
50	Y	A	-1.1857
51	I	A	-1.0648
52	D	A	-2.3003
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-1.1378
56	K	A	-1.9439
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	E	A	-2.3499
61	Y	A	-1.2529
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-1.9703
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.2427
68	E	A	-2.3342
69	L	A	0.0000
70	A	A	-1.8726
71	K	A	-2.1815
72	V	A	0.0058
73	F	A	-1.0665
74	R	A	-2.5627
75	L	A	-1.9591
76	K	A	-2.6395
77	N	A	-1.9265
78	I	A	-0.3462
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	-0.1216
94	L	A	0.0000
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.2307
98	F	A	0.0000
99	S	A	0.0000
100	L	A	-0.4418
101	Q	A	-1.3338
102	L	A	0.0000
103	K	A	-2.3672
104	G	A	0.0000
105	D	A	0.0000
106	L	A	-0.5195
107	N	A	-1.1293
108	L	A	0.0000
109	S	A	0.0000
110	W	A	-0.0327
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	0.0000
115	C	A	0.0605
116	S	A	0.0000
117	T	A	0.0000
118	K	A	-1.7320
119	C	A	-1.2600
120	A	A	0.0000
121	R	A	-2.5219
122	E	A	-3.0454
123	H	A	-2.4467
124	M	A	0.0000
125	P	A	0.0000
126	E	A	-3.2688
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-3.5134
130	K	A	-2.4778
131	Y	A	-1.4756
132	S	A	0.0000
133	R	A	-2.8790
134	G	A	-1.6407
135	I	A	-1.1490
136	Y	A	-1.5985
137	D	A	-2.4750
138	G	A	-2.4574
139	D	A	-3.5595
140	L	A	0.0000
141	K	A	-3.7519
142	D	A	-2.9448
143	K	A	-1.8115
144	V	A	0.0000
145	P	A	-0.9214
146	Y	A	-0.9109
147	K	A	-1.6963
148	G	A	-1.1592
149	I	A	0.0000
150	E	A	-2.2909
151	I	A	-0.7903
152	S	A	-0.8902
153	L	A	-1.5790
154	K	A	-2.0988
155	L	A	-1.2352
156	V	A	0.0000
157	E	A	-2.3740
158	K	A	-3.0503
159	P	A	-2.2058
160	C	A	0.0000
161	T	A	-2.3538
162	E	A	-2.9352
163	G	A	0.0000
164	I	A	-2.1993
165	E	A	-3.1873
166	L	A	-2.4186
167	K	A	-2.6060
168	S	A	-2.7741
169	K	A	-3.2356
170	R	A	-3.1073
171	P	A	-2.3105
172	Q	A	-2.1933
173	L	A	-1.1959
174	L	A	-1.9174
175	R	A	-3.1232
176	E	A	-3.4665
177	L	A	-2.2704
178	L	A	-2.5560
179	K	A	-4.2891
180	K	A	-4.1395
181	L	A	0.0000
182	K	A	-3.9145
183	K	A	-4.5234
184	K	A	-3.7853
185	I	A	-3.1346
186	E	A	-4.1373
187	E	A	-4.1003
188	L	A	-2.4265
189	T	A	-2.5221
190	K	A	-3.4069
191	R	A	-2.8626
192	V	A	-1.8079
193	T	A	-2.2163
194	E	A	-3.3018
195	L	A	0.0000
196	S	A	-2.1307
197	K	A	-3.5560
198	E	A	-3.3192
199	N	A	0.0000
200	V	A	-1.3055
201	G	A	-2.2349
202	K	A	-1.9534
203	S	A	-0.2519
204	I	A	0.0000
205	M	A	0.6418
206	F	A	1.6615
207	A	A	0.8295
208	M	A	0.0000
209	T	A	-0.0769
210	P	A	-0.5392
211	K	A	-1.2088
212	I	A	0.0000
213	L	A	-0.3101
214	K	A	-1.3817
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-1.0646
218	L	A	-0.4938
219	M	A	0.0000
220	P	A	0.0000
221	R	A	-2.0482
222	L	A	-0.8091
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-2.2754
226	K	A	-1.5431
227	G	A	0.0000
228	L	A	-1.7214
229	E	A	-2.1575
230	L	A	0.0000
231	S	A	0.0000
232	E	A	-2.7309
233	K	A	-2.3740
234	A	A	-1.4681
235	C	A	-0.8765
236	L	A	0.0000
237	N	A	-2.3596
238	G	A	-2.5750
239	R	A	-3.1687
240	C	A	0.0000
241	R	A	-2.1652
242	R	A	-1.7744
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	-0.8224
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.4435
258	T	A	-0.5586
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.9625
262	V	A	-0.1587
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.4875
266	P	A	-0.8040
267	E	A	-1.2800
268	V	A	0.5116
269	I	A	0.0000
270	G	A	0.0645
271	P	A	0.4363
272	L	A	0.0000
273	F	A	0.1225
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	0.0474
278	L	A	0.0000
279	Y	A	0.0000
280	M	A	-0.6932
281	E	A	-1.7983
282	Q	A	-1.7258
283	Q	A	0.0000
284	L	A	-1.7438
285	K	A	-3.2762
286	E	A	-2.8871
287	G	A	0.0000
288	E	A	-3.8649
289	E	A	-3.9840
290	I	A	-2.7059
291	V	A	0.0000
292	E	A	-4.7465
293	K	A	-4.5347
294	Y	A	-3.9312
295	K	A	-4.7793
296	K	A	-5.5444
297	E	A	-5.6743
298	E	A	-5.4249
299	K	A	-5.5287
300	E	A	-5.4454
301	K	A	-4.9455
302	E	A	-4.1972