Project name: test

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,C,B,E,D,F
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -4.1873
• Maximal score value: 2.7512
• Average score: -0.7427
• Total score value: -187.1632

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	-2.8876
2	A	A	-2.2510
3	E	A	-2.7926
4	F	A	-1.5467
5	R	A	-3.0956
6	H	A	-2.9752
7	D	A	-3.2928
8	S	A	-2.0876
9	G	A	-1.2768
10	Y	A	0.1350
11	E	A	-0.7505
12	V	A	0.6157
13	H	A	-0.7228
14	H	A	-1.6584
15	Q	A	-1.6898
16	K	A	-1.8662
17	L	A	0.0000
18	V	A	0.4380
19	F	A	0.8009
20	F	A	-0.4032
21	A	A	-1.4486
22	E	A	-3.1468
23	D	A	-3.0039
24	V	A	-0.5825
25	G	A	-0.6522
26	S	A	-1.0560
27	N	A	0.0000
28	K	A	-1.9807
29	G	A	-0.2605
30	A	A	0.0000
31	I	A	0.9074
32	I	A	1.0193
33	G	A	0.7633
34	L	A	1.1413
35	M	A	0.6463
36	V	A	0.5318
37	G	A	-0.5044
38	G	A	0.1476
39	V	A	1.6489
40	V	A	2.7507
41	I	A	1.3622
42	A	A	0.4093
1	D	B	-3.5320
2	A	B	-2.1408
3	E	B	-2.2864
4	F	B	-1.0590
5	R	B	-2.7747
6	H	B	-2.7449
7	D	B	-4.0705
8	S	B	-2.2624
9	G	B	-1.1410
10	Y	B	0.3145
11	E	B	-0.2527
12	V	B	0.0000
13	H	B	-1.1425
14	H	B	-1.8370
15	Q	B	0.0000
16	K	B	-1.4550
17	L	B	0.0000
18	V	B	0.0000
19	F	B	0.0000
20	F	B	0.0000
21	A	B	-2.1231
22	E	B	-4.1873
23	D	B	-3.9476
24	V	B	0.0000
25	G	B	-1.1328
26	S	B	-1.3153
27	N	B	0.0000
28	K	B	-1.7246
29	G	B	0.0000
30	A	B	0.0000
31	I	B	0.0000
32	I	B	0.0000
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	0.6054
39	V	B	0.0000
40	V	B	2.6856
41	I	B	0.0000
42	A	B	0.5631
1	D	C	-2.4961
2	A	C	-1.3488
3	E	C	-1.2537
4	F	C	0.2320
5	R	C	-1.9671
6	H	C	-2.1405
7	D	C	-2.8773
8	S	C	-1.8114
9	G	C	-0.7493
10	Y	C	0.2125
11	E	C	-0.6920
12	V	C	0.4048
13	H	C	-0.7867
14	H	C	-1.2860
15	Q	C	-0.4905
16	K	C	-0.2971
17	L	C	0.7793
18	V	C	1.3303
19	F	C	0.8427
20	F	C	-0.4994
21	A	C	-1.3484
22	E	C	-3.2897
23	D	C	-3.3643
24	V	C	-2.4938
25	G	C	-1.5443
26	S	C	-1.4613
27	N	C	-1.8215
28	K	C	-1.8395
29	G	C	0.0000
30	A	C	-0.2856
31	I	C	0.6021
32	I	C	1.0518
33	G	C	0.6342
34	L	C	0.8023
35	M	C	0.5096
36	V	C	0.5704
37	G	C	-0.2881
38	G	C	0.1957
39	V	C	1.4108
40	V	C	2.5655
41	I	C	1.3889
42	A	C	0.5466
1	D	D	-2.9466
2	A	D	-2.3693
3	E	D	-2.9313
4	F	D	-1.6873
5	R	D	-3.0350
6	H	D	-2.8371
7	D	D	-3.2323
8	S	D	-2.2079
9	G	D	-1.4626
10	Y	D	-1.1985
11	E	D	-1.2852
12	V	D	0.0979
13	H	D	-1.7550
14	H	D	-2.0575
15	Q	D	-1.9615
16	K	D	-2.4677
17	L	D	0.0000
18	V	D	0.3691
19	F	D	0.7168
20	F	D	-0.4056
21	A	D	-1.4409
22	E	D	-3.1218
23	D	D	-2.9872
24	V	D	-0.5496
25	G	D	-0.6324
26	S	D	-1.0637
27	N	D	0.0000
28	K	D	-2.0155
29	G	D	-0.2736
30	A	D	0.0000
31	I	D	0.9374
32	I	D	0.9644
33	G	D	0.6357
34	L	D	0.9342
35	M	D	0.6631
36	V	D	0.7100
37	G	D	-0.1605
38	G	D	0.4069
39	V	D	1.7510
40	V	D	2.7512
41	I	D	1.3527
42	A	D	0.3930
1	D	E	-3.6434
2	A	E	-2.3700
3	E	E	-2.6701
4	F	E	-1.3086
5	R	E	-2.8081
6	H	E	-2.8186
7	D	E	-3.9813
8	S	E	-2.1308
9	G	E	-0.8851
10	Y	E	0.4143
11	E	E	-1.0152
12	V	E	-1.4847
13	H	E	-1.8485
14	H	E	-1.8314
15	Q	E	0.0000
16	K	E	-1.7645
17	L	E	0.0000
18	V	E	0.0000
19	F	E	0.0000
20	F	E	0.0000
21	A	E	-2.1376
22	E	E	-4.1871
23	D	E	-3.9704
24	V	E	0.0000
25	G	E	-1.1464
26	S	E	-1.3775
27	N	E	0.0000
28	K	E	-1.8273
29	G	E	0.0000
30	A	E	0.0000
31	I	E	0.0000
32	I	E	0.0000
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	0.6065
39	V	E	0.0000
40	V	E	2.6786
41	I	E	0.0000
42	A	E	0.5388
1	D	F	-2.5784
2	A	F	-1.5070
3	E	F	-1.5309
4	F	F	0.1071
5	R	F	-1.9067
6	H	F	-1.9624
7	D	F	-2.7283
8	S	F	-1.3875
9	G	F	-0.5801
10	Y	F	0.1769
11	E	F	-1.0664
12	V	F	-0.8545
13	H	F	-1.7042
14	H	F	-1.7781
15	Q	F	-1.2909
16	K	F	-0.7322
17	L	F	0.6554
18	V	F	1.4378
19	F	F	0.9343
20	F	F	-0.5659
21	A	F	-1.3475
22	E	F	-3.2967
23	D	F	-3.3852
24	V	F	-2.5296
25	G	F	-1.5853
26	S	F	-1.5330
27	N	F	-1.8295
28	K	F	-1.8565
29	G	F	0.0000
30	A	F	-0.1486
31	I	F	0.9258
32	I	F	1.2877
33	G	F	0.8432
34	L	F	0.9808
35	M	F	1.0309
36	V	F	0.7509
37	G	F	-0.2745
38	G	F	0.1229
39	V	F	1.3396
40	V	F	2.5435
41	I	F	1.3908
42	A	F	0.5683