Project name: dd23

Chain sequence(s)	A: LVFFAEDVGSNKGAIIGLMVGGVVIA; C: LVFFAEDVGSNKGAIIGLMVGGVVIA; B: LVFFAEDVGSNKGAIIGLMVGGVVIA; E: LVFFAEDVGSNKGAIIGLMVGGVVIA; D: LVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,C,B,E,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -2.434
• Maximal score value: 4.0058
• Average score: 0.916
• Total score value: 119.0736

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
17	L	A	3.1723
18	V	A	3.1333
19	F	A	2.4928
20	F	A	1.8802
21	A	A	0.2748
22	E	A	-1.1192
23	D	A	-0.7187
24	V	A	0.2304
25	G	A	-1.0131
26	S	A	-1.3105
27	N	A	-2.4340
28	K	A	-2.3834
29	G	A	-0.5324
30	A	A	0.9483
31	I	A	2.8917
32	I	A	2.5048
33	G	A	1.8742
34	L	A	1.7911
35	M	A	2.2886
36	V	A	2.1930
37	G	A	1.1071
38	G	A	1.0404
39	V	A	2.2340
40	V	A	3.0420
41	I	A	2.9415
42	A	A	1.5029
17	L	B	3.4703
18	V	B	3.2293
19	F	B	0.0000
20	F	B	1.1830
21	A	B	0.0000
22	E	B	-0.6140
23	D	B	0.0000
24	V	B	0.5958
25	G	B	0.0000
26	S	B	-0.9341
27	N	B	-1.9602
28	K	B	0.0000
29	G	B	0.0000
30	A	B	1.4238
31	I	B	3.0174
32	I	B	0.0000
33	G	B	1.4720
34	L	B	0.0000
35	M	B	1.4366
36	V	B	0.0000
37	G	B	0.7465
38	G	B	1.0760
39	V	B	1.7275
40	V	B	0.0000
41	I	B	2.4672
42	A	B	1.3542
17	L	C	3.3828
18	V	C	3.0270
19	F	C	0.0000
20	F	C	1.4608
21	A	C	0.0000
22	E	C	-0.6411
23	D	C	0.0000
24	V	C	0.8593
25	G	C	0.0000
26	S	C	-0.6885
27	N	C	-1.7182
28	K	C	0.0000
29	G	C	0.4217
30	A	C	1.5597
31	I	C	2.9315
32	I	C	0.0000
33	G	C	0.8189
34	L	C	0.0000
35	M	C	0.9310
36	V	C	0.0000
37	G	C	0.4532
38	G	C	0.0000
39	V	C	1.5484
40	V	C	2.4130
41	I	C	2.1484
42	A	C	1.1718
17	L	D	2.8697
18	V	D	3.3303
19	F	D	0.0000
20	F	D	1.7467
21	A	D	0.2367
22	E	D	-0.8230
23	D	D	0.0000
24	V	D	0.1914
25	G	D	0.0000
26	S	D	-0.6865
27	N	D	-1.4949
28	K	D	0.0000
29	G	D	0.5255
30	A	D	1.5636
31	I	D	2.7845
32	I	D	0.0000
33	G	D	1.0548
34	L	D	0.0000
35	M	D	0.9254
36	V	D	0.0000
37	G	D	0.8246
38	G	D	0.0000
39	V	D	2.0533
40	V	D	2.7952
41	I	D	2.7354
42	A	D	1.4664
17	L	E	3.3893
18	V	E	4.0058
19	F	E	3.5770
20	F	E	2.7351
21	A	E	0.2801
22	E	E	-1.7202
23	D	E	-1.4885
24	V	E	0.3785
25	G	E	-0.3232
26	S	E	-0.6584
27	N	E	-1.6582
28	K	E	-0.3171
29	G	E	0.4401
30	A	E	1.2582
31	I	E	2.7937
32	I	E	1.6402
33	G	E	0.8592
34	L	E	0.5813
35	M	E	1.2448
36	V	E	1.0933
37	G	E	0.6002
38	G	E	0.0000
39	V	E	2.7764
40	V	E	2.7938
41	I	E	3.2241
42	A	E	1.6659