Project name: ecd_151_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLELSVKLVEMLNKIMKALGCTLEESKIKEVLEKPKYINLALEAQFTIMPKTALELAKVFRLKNIEALAILVCGCSPPGNLSNLFSLKLKGDPNLSLVMTTCSTKCAREKMPELLEKYSRGIYDGDLKDKVPYKGIEISLELVLKPCTEGIELKSKRPQLLRKELKKLEEEIEKLSEEVTKLSKENVGKSIMFAMTPKILETSSLMPKLGFEEGYKISKEACLNGRCRRTVSMETGCRNVQLCSTILNVAFPPEVIGPLFFFPLLYMENQLKEGEKIVKEEKEKEKEEE
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                                          (00:07:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:01)

• Minimal score value: -6.6672
• Maximal score value: 1.7111
• Average score: -1.2641
• Total score value: -381.7463

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	-0.9988
2	F	A	0.1266
3	T	A	-0.1512
4	L	A	-0.0465
5	P	A	-0.1872
6	P	A	-1.0475
7	N	A	-2.0655
8	F	A	-1.1714
9	G	A	-1.3772
10	K	A	-2.2740
11	R	A	-1.6867
12	P	A	-1.0097
13	T	A	-0.7976
14	D	A	-0.7513
15	L	A	0.4456
16	E	A	-0.3638
17	L	A	0.0242
18	S	A	0.8937
19	V	A	1.6153
20	K	A	0.2769
21	L	A	0.8050
22	V	A	1.0038
23	E	A	-0.5730
24	M	A	-0.6371
25	L	A	0.1032
26	N	A	-0.9208
27	K	A	-1.3606
28	I	A	0.0000
29	M	A	0.0000
30	K	A	-1.2152
31	A	A	-1.0945
32	L	A	0.0000
33	G	A	0.0000
34	C	A	0.0000
35	T	A	-0.3937
36	L	A	0.0000
37	E	A	-2.6110
38	E	A	-2.6990
39	S	A	-2.3329
40	K	A	-2.5876
41	I	A	-2.2581
42	K	A	-3.4806
43	E	A	-3.6943
44	V	A	0.0000
45	L	A	-1.5862
46	E	A	-3.1150
47	K	A	-2.7800
48	P	A	-1.6787
49	K	A	-1.7986
50	Y	A	-1.0649
51	I	A	-0.8732
52	N	A	-1.7992
53	L	A	0.0000
54	A	A	0.0000
55	L	A	-0.6487
56	E	A	-1.3452
57	A	A	0.0000
58	Q	A	0.0000
59	F	A	0.0000
60	T	A	-0.7875
61	I	A	-0.6723
62	M	A	0.0000
63	P	A	0.0000
64	K	A	-2.0207
65	T	A	0.0000
66	A	A	0.0000
67	L	A	-1.3418
68	E	A	-2.4321
69	L	A	0.0000
70	A	A	0.0000
71	K	A	-2.1809
72	V	A	-0.0303
73	F	A	-1.1749
74	R	A	-2.6074
75	L	A	-1.9833
76	K	A	-2.6625
77	N	A	-1.9521
78	I	A	-0.3622
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	P	A	0.0000
92	G	A	0.0000
93	N	A	-0.0995
94	L	A	0.2665
95	S	A	0.0000
96	N	A	0.0000
97	L	A	0.1273
98	F	A	0.0000
99	S	A	0.0000
100	L	A	-0.8694
101	K	A	-1.8608
102	L	A	0.0000
103	K	A	-2.4532
104	G	A	0.0000
105	D	A	0.0000
106	P	A	-0.6590
107	N	A	-1.0123
108	L	A	0.0000
109	S	A	0.0000
110	L	A	0.0000
111	V	A	0.0000
112	M	A	0.0000
113	T	A	0.0000
114	T	A	-0.3059
115	C	A	-0.0321
116	S	A	0.0000
117	T	A	0.0000
118	K	A	-1.8059
119	C	A	-1.3052
120	A	A	0.0000
121	R	A	-2.8586
122	E	A	-3.1880
123	K	A	-2.5306
124	M	A	0.0000
125	P	A	0.0000
126	E	A	-3.2858
127	L	A	0.0000
128	L	A	0.0000
129	E	A	-3.9899
130	K	A	-2.7592
131	Y	A	-1.6870
132	S	A	0.0000
133	R	A	-3.0547
134	G	A	-1.6800
135	I	A	-1.2067
136	Y	A	-1.6712
137	D	A	-2.4738
138	G	A	-2.5428
139	D	A	-3.7135
140	L	A	0.0000
141	K	A	-3.9541
142	D	A	-3.0175
143	K	A	-1.6775
144	V	A	0.0000
145	P	A	-0.8504
146	Y	A	-0.8732
147	K	A	-1.7312
148	G	A	-1.1446
149	I	A	0.0000
150	E	A	-2.3696
151	I	A	-0.6115
152	S	A	-0.8969
153	L	A	-1.4481
154	E	A	-2.0759
155	L	A	-0.9267
156	V	A	0.0000
157	L	A	-1.1525
158	K	A	-2.5515
159	P	A	0.0000
160	C	A	0.0000
161	T	A	-1.9796
162	E	A	-2.8734
163	G	A	0.0000
164	I	A	-2.3029
165	E	A	-3.3752
166	L	A	-2.6202
167	K	A	-2.6722
168	S	A	-2.8196
169	K	A	-3.2928
170	R	A	-3.2461
171	P	A	-2.5872
172	Q	A	-2.3700
173	L	A	-1.6403
174	L	A	-2.3772
175	R	A	-3.2621
176	K	A	-3.3516
177	E	A	-2.9714
178	L	A	-3.1047
179	K	A	-4.6407
180	K	A	-4.6334
181	L	A	0.0000
182	E	A	-4.7921
183	E	A	-5.1417
184	E	A	-4.3453
185	I	A	-3.8423
186	E	A	-4.4635
187	K	A	-4.3093
188	L	A	-3.1471
189	S	A	-2.7646
190	E	A	-3.6295
191	E	A	-3.1077
192	V	A	-2.1244
193	T	A	-2.3136
194	K	A	-3.2933
195	L	A	-2.5408
196	S	A	-2.1439
197	K	A	-3.3245
198	E	A	-3.1939
199	N	A	0.0000
200	V	A	-1.1745
201	G	A	-2.0522
202	K	A	-1.8515
203	S	A	-0.3239
204	I	A	0.0000
205	M	A	0.8195
206	F	A	1.7111
207	A	A	0.9621
208	M	A	0.0000
209	T	A	-0.1404
210	P	A	-0.6202
211	K	A	-1.3504
212	I	A	0.0000
213	L	A	-0.3352
214	E	A	-1.4571
215	T	A	0.0000
216	S	A	0.0000
217	S	A	-0.8719
218	L	A	-0.1488
219	M	A	0.0000
220	P	A	0.0000
221	K	A	-1.0222
222	L	A	-0.4644
223	G	A	0.0000
224	F	A	0.0000
225	E	A	-2.2355
226	E	A	-1.8491
227	G	A	0.0000
228	Y	A	-1.5028
229	K	A	-2.7923
230	I	A	-1.9239
231	S	A	0.0000
232	K	A	-3.0106
233	E	A	-2.6172
234	A	A	-1.4795
235	C	A	-0.9775
236	L	A	0.0000
237	N	A	-2.1919
238	G	A	-2.1736
239	R	A	-2.8340
240	C	A	0.0000
241	R	A	-1.9551
242	R	A	-1.6668
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	-1.1506
255	L	A	0.0000
256	C	A	0.0000
257	S	A	-0.5003
258	T	A	-0.4853
259	I	A	0.0000
260	L	A	0.0000
261	N	A	-0.6864
262	V	A	0.4397
263	A	A	0.0000
264	F	A	0.0000
265	P	A	-0.3947
266	P	A	-0.6514
267	E	A	-1.3166
268	V	A	0.4737
269	I	A	0.0000
270	G	A	-0.0765
271	P	A	0.3543
272	L	A	0.0000
273	F	A	0.1705
274	F	A	0.0000
275	F	A	0.0000
276	P	A	0.0000
277	L	A	-0.0651
278	L	A	-0.0992
279	Y	A	0.0000
280	M	A	-0.6893
281	E	A	-1.8194
282	N	A	0.0000
283	Q	A	0.0000
284	L	A	-1.3127
285	K	A	-2.4432
286	E	A	-2.1331
287	G	A	0.0000
288	E	A	-3.1019
289	K	A	-3.1769
290	I	A	-2.7100
291	V	A	-3.2752
292	K	A	-4.8345
293	E	A	-4.9326
294	E	A	-4.8657
295	K	A	-5.4889
296	E	A	-6.3100
297	K	A	-6.6236
298	E	A	-6.6672
299	K	A	-6.2085
300	E	A	-5.8587
301	E	A	-5.3815
302	E	A	-4.4749