Project name: A?42_8

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,C,B,E,D,G,F,H
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:43)

• Minimal score value: -2.7775
• Maximal score value: 1.976
• Average score: -0.7284
• Total score value: -244.7412

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	D	A	-1.9248
2	A	A	-1.3079
3	E	A	-2.0268
4	F	A	-0.6551
5	R	A	-2.7221
6	H	A	-2.5603
7	D	A	-2.7433
8	S	A	-1.9150
9	G	A	0.0000
10	Y	A	-0.7902
11	E	A	-1.4408
12	V	A	-0.0834
13	H	A	-1.3526
14	H	A	-1.9856
15	Q	A	-1.8763
16	K	A	-1.0206
17	L	A	-0.0927
18	V	A	0.0000
19	F	A	0.0000
20	F	A	-0.7431
21	A	A	-1.2630
22	E	A	-1.9500
23	D	A	-1.8383
24	V	A	-0.9960
25	G	A	-1.3707
26	S	A	-1.2925
27	N	A	-1.1886
28	K	A	-1.1436
29	G	A	-0.4873
30	A	A	-0.2937
31	I	A	0.0000
32	I	A	1.2434
33	G	A	0.7399
34	L	A	0.0000
35	M	A	0.0000
36	V	A	1.2317
37	G	A	0.0000
38	G	A	0.0000
39	V	A	0.0000
40	V	A	0.0000
41	I	A	0.0000
42	A	A	-0.2920
1	D	B	-1.9371
2	A	B	-1.4106
3	E	B	-2.0057
4	F	B	-0.7991
5	R	B	-2.2963
6	H	B	-2.4530
7	D	B	-2.4624
8	S	B	-1.5240
9	G	B	0.0000
10	Y	B	-0.6313
11	E	B	-0.8104
12	V	B	-0.2257
13	H	B	-1.0781
14	H	B	-1.5841
15	Q	B	-1.3520
16	K	B	0.0000
17	L	B	0.0000
18	V	B	0.0000
19	F	B	0.0000
20	F	B	-0.7170
21	A	B	-1.4825
22	E	B	-2.1684
23	D	B	-1.8144
24	V	B	-1.2274
25	G	B	-1.5912
26	S	B	-1.3235
27	N	B	-1.3817
28	K	B	-1.9495
29	G	B	-1.1271
30	A	B	0.0000
31	I	B	0.0000
32	I	B	0.1849
33	G	B	0.0000
34	L	B	0.0000
35	M	B	0.0000
36	V	B	0.0000
37	G	B	0.0000
38	G	B	0.9545
39	V	B	0.0000
40	V	B	0.8367
41	I	B	0.0000
42	A	B	-0.3334
1	D	C	-1.9206
2	A	C	-1.3776
3	E	C	-1.9448
4	F	C	-0.4313
5	R	C	-2.1565
6	H	C	-2.0727
7	D	C	-2.4678
8	S	C	-1.3764
9	G	C	0.0000
10	Y	C	-0.3590
11	E	C	-0.3422
12	V	C	0.3150
13	H	C	-1.5844
14	H	C	-1.9157
15	Q	C	-1.6109
16	K	C	-0.9186
17	L	C	0.0000
18	V	C	0.5509
19	F	C	0.0000
20	F	C	0.3332
21	A	C	0.0000
22	E	C	-1.5357
23	D	C	-1.6075
24	V	C	0.0000
25	G	C	-1.2331
26	S	C	-1.1746
27	N	C	0.0000
28	K	C	-1.1932
29	G	C	-0.8244
30	A	C	0.0000
31	I	C	0.0000
32	I	C	0.1037
33	G	C	0.0000
34	L	C	0.0000
35	M	C	0.0000
36	V	C	0.0000
37	G	C	0.0000
38	G	C	0.9329
39	V	C	0.0000
40	V	C	1.7769
41	I	C	0.6339
42	A	C	-0.7026
1	D	D	-1.9216
2	A	D	-1.3838
3	E	D	-2.0609
4	F	D	-0.6636
5	R	D	-2.4610
6	H	D	-2.4176
7	D	D	-2.6543
8	S	D	-1.6439
9	G	D	0.0000
10	Y	D	-0.4193
11	E	D	-0.2881
12	V	D	0.9032
13	H	D	-0.9672
14	H	D	-1.7248
15	Q	D	-1.4299
16	K	D	-0.7607
17	L	D	0.0000
18	V	D	0.7276
19	F	D	0.0000
20	F	D	0.0467
21	A	D	-0.6390
22	E	D	-2.0576
23	D	D	-1.7739
24	V	D	-1.1676
25	G	D	-1.5159
26	S	D	-1.3806
27	N	D	-1.1163
28	K	D	-1.3796
29	G	D	-0.8098
30	A	D	0.0000
31	I	D	0.0000
32	I	D	0.3127
33	G	D	0.0000
34	L	D	0.0000
35	M	D	0.0000
36	V	D	0.6564
37	G	D	0.0000
38	G	D	0.8317
39	V	D	1.4329
40	V	D	1.9533
41	I	D	0.0000
42	A	D	-0.4034
1	D	E	-1.9229
2	A	E	-1.4106
3	E	E	-2.1930
4	F	E	-0.7679
5	R	E	-2.4204
6	H	E	-2.4635
7	D	E	-2.7775
8	S	E	-1.7500
9	G	E	0.0000
10	Y	E	0.0000
11	E	E	-0.4389
12	V	E	0.2858
13	H	E	-1.4303
14	H	E	-1.9081
15	Q	E	-1.7220
16	K	E	-1.0698
17	L	E	0.6438
18	V	E	1.0165
19	F	E	0.0000
20	F	E	0.7394
21	A	E	-0.1319
22	E	E	-2.0039
23	D	E	-1.6639
24	V	E	0.0000
25	G	E	-1.3647
26	S	E	-1.3291
27	N	E	-1.1472
28	K	E	-1.1154
29	G	E	-0.7246
30	A	E	0.0000
31	I	E	0.0000
32	I	E	0.3022
33	G	E	0.0000
34	L	E	0.0000
35	M	E	0.0000
36	V	E	0.0000
37	G	E	0.0000
38	G	E	0.8915
39	V	E	0.0000
40	V	E	1.9760
41	I	E	0.0000
42	A	E	-0.8955
1	D	F	-1.9323
2	A	F	-1.4123
3	E	F	-1.9853
4	F	F	-0.5035
5	R	F	-2.2609
6	H	F	-2.3151
7	D	F	-2.7244
8	S	F	-1.4213
9	G	F	0.0000
10	Y	F	-0.3347
11	E	F	-0.1190
12	V	F	0.3620
13	H	F	-1.4774
14	H	F	-1.9698
15	Q	F	-1.8196
16	K	F	-1.2963
17	L	F	0.5387
18	V	F	0.8738
19	F	F	0.0000
20	F	F	-0.1230
21	A	F	-0.5011
22	E	F	-2.0606
23	D	F	-1.7431
24	V	F	-0.9859
25	G	F	-1.2771
26	S	F	-1.3707
27	N	F	-1.1526
28	K	F	-1.0892
29	G	F	-0.6628
30	A	F	-0.3421
31	I	F	0.0000
32	I	F	0.3769
33	G	F	0.0000
34	L	F	0.0000
35	M	F	0.0000
36	V	F	0.0000
37	G	F	0.0000
38	G	F	0.8999
39	V	F	0.0000
40	V	F	1.8310
41	I	F	0.5642
42	A	F	-1.1804
1	D	G	-1.9247
2	A	G	-1.3964
3	E	G	-2.0674
4	F	G	-0.7066
5	R	G	-2.3394
6	H	G	-2.3890
7	D	G	-2.7603
8	S	G	-1.6085
9	G	G	0.0000
10	Y	G	-0.3928
11	E	G	-0.3401
12	V	G	0.5392
13	H	G	-1.1797
14	H	G	-1.8452
15	Q	G	-1.7534
16	K	G	-1.1076
17	L	G	0.0000
18	V	G	0.5803
19	F	G	0.0000
20	F	G	0.2498
21	A	G	-0.6349
22	E	G	-2.0033
23	D	G	-1.7070
24	V	G	-1.0192
25	G	G	-1.3820
26	S	G	-1.4735
27	N	G	-1.2288
28	K	G	-1.2341
29	G	G	-1.0519
30	A	G	-0.6461
31	I	G	0.0000
32	I	G	0.2484
33	G	G	0.0000
34	L	G	0.0000
35	M	G	0.0000
36	V	G	0.6334
37	G	G	0.0000
38	G	G	0.7358
39	V	G	0.0000
40	V	G	1.1559
41	I	G	0.6437
42	A	G	-0.3119
1	D	H	-1.9259
2	A	H	-1.3201
3	E	H	-2.0358
4	F	H	-0.6723
5	R	H	-2.5836
6	H	H	-2.4499
7	D	H	-2.5937
8	S	H	-1.7618
9	G	H	0.0000
10	Y	H	-0.6145
11	E	H	-1.1318
12	V	H	-0.4651
13	H	H	-1.7878
14	H	H	-2.1976
15	Q	H	-2.3461
16	K	H	-1.9823
17	L	H	-0.4361
18	V	H	-0.1689
19	F	H	0.0000
20	F	H	0.0132
21	A	H	-0.6223
22	E	H	-1.8639
23	D	H	-1.8032
24	V	H	-1.3190
25	G	H	-1.7192
26	S	H	-1.4928
27	N	H	-1.4702
28	K	H	-2.1550
29	G	H	-1.5032
30	A	H	-0.8533
31	I	H	0.0000
32	I	H	-0.1148
33	G	H	-0.2051
34	L	H	0.0000
35	M	H	0.0000
36	V	H	0.0000
37	G	H	0.0000
38	G	H	0.7126
39	V	H	0.0000
40	V	H	0.3878
41	I	H	0.0000
42	A	H	-1.0022