Project name: ecd_575_1st

Chain sequence(s)	A: NFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFKT
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                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.1195
• Maximal score value: 4.0248
• Average score: 0.299
• Total score value: 90.2974

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
11	N	A	-1.0319
12	F	A	-0.1612
13	T	A	-0.2074
14	L	A	0.0445
15	P	A	-0.3870
16	P	A	-0.8454
17	N	A	-1.6414
18	F	A	-1.0500
19	G	A	-1.4086
20	K	A	-2.1781
21	R	A	-1.3665
22	P	A	-0.3723
23	T	A	0.3198
24	D	A	0.2337
25	L	A	1.2198
26	A	A	1.3530
27	L	A	1.7655
28	S	A	2.0357
29	V	A	2.7213
30	I	A	3.0208
31	L	A	3.3301
32	V	A	4.0032
33	F	A	4.0248
34	M	A	3.4602
35	L	A	2.9236
36	F	A	3.2619
37	F	A	2.3304
38	I	A	1.7262
39	M	A	0.0000
40	L	A	1.4517
41	S	A	0.0000
42	L	A	0.0000
43	G	A	0.0000
44	C	A	0.0000
45	T	A	-0.2707
46	M	A	0.0000
47	E	A	-0.9919
48	F	A	-0.2194
49	S	A	-0.9768
50	K	A	-1.7310
51	I	A	-0.7917
52	K	A	-0.8746
53	A	A	-0.6943
54	H	A	-0.7752
55	L	A	0.2395
56	W	A	0.1632
57	K	A	-1.5358
58	P	A	-1.1940
59	K	A	-1.7854
60	G	A	-0.8144
61	L	A	-0.1629
62	A	A	-0.1195
63	I	A	0.0000
64	A	A	0.0000
65	L	A	1.2059
66	V	A	1.9002
67	A	A	0.0000
68	Q	A	0.0000
69	Y	A	0.7975
70	G	A	0.5470
71	I	A	0.8710
72	M	A	0.0000
73	P	A	0.0000
74	L	A	1.2811
75	T	A	0.9678
76	A	A	0.0000
77	F	A	1.0907
78	V	A	1.2219
79	L	A	0.0000
80	G	A	0.0000
81	K	A	-1.2555
82	V	A	0.2837
83	F	A	-0.3095
84	R	A	-2.1122
85	L	A	-1.7455
86	K	A	-2.6658
87	N	A	-2.0194
88	I	A	-0.4203
89	E	A	0.0000
90	A	A	-0.9794
91	L	A	0.0000
92	A	A	0.0000
93	I	A	0.0000
94	L	A	0.0000
95	V	A	0.0000
96	C	A	0.0000
97	G	A	0.0000
98	C	A	0.0000
99	S	A	0.0000
100	P	A	0.0000
101	G	A	0.0000
102	G	A	0.0000
103	N	A	-0.0445
104	L	A	0.4907
105	S	A	0.0000
106	N	A	0.0000
107	V	A	0.3777
108	F	A	0.0000
109	S	A	0.0000
110	L	A	-0.1180
111	A	A	0.1116
112	M	A	0.0000
113	K	A	-2.0993
114	G	A	0.0000
115	D	A	-1.5794
116	M	A	0.0000
117	N	A	0.0000
118	L	A	0.0000
119	S	A	0.0000
120	I	A	0.0000
121	V	A	0.0000
122	M	A	0.0000
123	T	A	0.0000
124	T	A	0.8144
125	C	A	1.1207
126	S	A	0.0000
127	T	A	1.0725
128	F	A	2.2258
129	C	A	1.2275
130	A	A	0.0000
131	L	A	0.7906
132	G	A	0.6303
133	M	A	0.9641
134	M	A	0.0000
135	P	A	0.0000
136	L	A	1.6265
137	L	A	0.0000
138	L	A	0.0000
139	Y	A	0.9645
140	I	A	1.3174
141	Y	A	0.7614
142	S	A	-0.6241
143	R	A	-1.7535
144	G	A	-1.5663
145	I	A	-1.3179
146	Y	A	-1.3490
147	D	A	-2.4159
148	G	A	-2.0306
149	D	A	-2.8757
150	L	A	0.0000
151	K	A	-2.5061
152	D	A	-2.8050
153	K	A	-1.7502
154	V	A	0.0000
155	P	A	-0.8428
156	Y	A	-0.2279
157	K	A	-1.1300
158	G	A	-0.3186
159	I	A	0.0000
160	V	A	1.4077
161	I	A	1.8504
162	S	A	1.4603
163	L	A	0.0000
164	V	A	3.1614
165	L	A	3.2987
166	V	A	0.0000
167	L	A	2.5424
168	I	A	3.0033
169	P	A	0.0000
170	C	A	0.0000
171	T	A	1.4913
172	I	A	2.1984
173	G	A	0.0000
174	I	A	0.0000
175	V	A	0.1658
176	L	A	-0.3555
177	K	A	-1.3662
178	S	A	-1.4744
179	K	A	-2.7021
180	R	A	-2.9216
181	P	A	-2.0826
182	Q	A	-1.6839
183	Y	A	-0.1458
184	M	A	-0.6835
185	R	A	-1.3802
186	Y	A	0.3354
187	V	A	0.3039
188	I	A	0.0359
189	K	A	-1.1035
190	G	A	0.1586
191	G	A	0.0000
192	M	A	1.3223
193	I	A	2.0159
194	I	A	2.4275
195	I	A	2.8907
196	L	A	3.4917
197	L	A	3.5376
198	C	A	3.4136
199	S	A	2.5828
200	V	A	3.0909
201	A	A	2.3147
202	V	A	2.2369
203	T	A	1.6241
204	V	A	2.3970
205	L	A	1.9021
206	S	A	1.4138
207	A	A	1.3697
208	I	A	2.2122
209	N	A	0.0000
210	V	A	0.6286
211	G	A	0.0190
212	K	A	-0.9542
213	S	A	0.0000
214	I	A	0.7270
215	M	A	1.0968
216	F	A	0.8542
217	A	A	0.0000
218	M	A	1.0092
219	T	A	0.6362
220	P	A	0.3150
221	L	A	0.6077
222	L	A	0.0000
223	I	A	0.9109
224	A	A	0.6684
225	T	A	0.0000
226	S	A	0.0000
227	S	A	0.9533
228	L	A	1.2168
229	M	A	0.0000
230	P	A	0.0000
231	F	A	1.7909
232	I	A	1.5734
233	G	A	0.0000
234	F	A	0.0000
235	L	A	1.9377
236	L	A	1.7867
237	G	A	0.0000
238	Y	A	1.6537
239	V	A	1.9540
240	L	A	2.1505
241	S	A	0.0000
242	A	A	1.5551
243	L	A	2.7536
244	F	A	2.3601
245	C	A	1.6624
246	L	A	0.0541
247	N	A	-1.5875
248	G	A	-1.8578
249	R	A	-3.1195
250	C	A	-1.9599
251	R	A	-1.1903
252	R	A	-1.7401
253	T	A	0.0000
254	V	A	0.0000
255	S	A	0.0000
256	M	A	0.0000
257	E	A	0.0000
258	T	A	0.0000
259	G	A	0.0000
260	C	A	0.0000
261	Q	A	0.0000
262	N	A	-0.4533
263	V	A	-0.3864
264	Q	A	-1.0753
265	L	A	-0.6826
266	C	A	0.0000
267	S	A	-0.2741
268	T	A	-0.2481
269	I	A	0.0000
270	L	A	0.0000
271	N	A	0.0917
272	V	A	0.9985
273	A	A	-0.0745
274	F	A	0.4571
275	P	A	-0.1786
276	P	A	-0.5754
277	E	A	-1.1044
278	V	A	0.5004
279	I	A	0.0000
280	G	A	0.0000
281	P	A	0.2484
282	L	A	0.0000
283	F	A	0.3910
284	F	A	0.0000
285	F	A	0.0000
286	P	A	0.2915
287	L	A	0.7675
288	L	A	0.0000
289	Y	A	0.0000
290	M	A	1.0800
291	I	A	1.5934
292	F	A	1.6198
293	Q	A	0.0000
294	L	A	1.5190
295	G	A	1.1438
296	E	A	1.1853
297	G	A	0.0000
298	L	A	2.5342
299	L	A	2.5503
300	L	A	2.2880
301	I	A	2.1692
302	A	A	2.2822
303	I	A	2.9293
304	F	A	1.9872
305	W	A	1.1798
306	C	A	1.2770
307	Y	A	1.4236
308	E	A	-0.6193
309	K	A	-0.9623
310	F	A	0.5514
311	K	A	-1.3260
312	T	A	-0.8672