Project name: A?42_8

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; H: GYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:17)

• Minimal score value: -3.11
• Maximal score value: 2.6099
• Average score: -0.669
• Total score value: -219.4193

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	-2.0427
2	A	A	-1.3103
3	E	A	-2.0955
4	F	A	-0.8345
5	R	A	-2.4694
6	H	A	-2.6651
7	D	A	-2.7531
8	S	A	-1.9115
9	G	A	-0.8410
10	Y	A	-0.1172
11	E	A	-1.2556
12	V	A	-0.6342
13	H	A	-1.9694
14	H	A	-2.3167
15	Q	A	-2.5087
16	K	A	-2.3205
17	L	A	-0.5697
18	V	A	-0.2551
19	F	A	0.4026
20	F	A	-0.7183
21	A	A	-1.5971
22	E	A	-2.7543
23	D	A	-2.9894
24	V	A	0.0000
25	G	A	-1.9891
26	S	A	-1.6650
27	N	A	-2.2008
28	K	A	-1.8081
29	G	A	-0.8692
30	A	A	-0.3840
31	I	A	-0.4000
32	I	A	0.0000
33	G	A	0.0000
34	L	A	0.0000
35	M	A	0.0000
36	V	A	0.4543
37	G	A	0.0000
38	G	A	0.3709
39	V	A	0.6245
40	V	A	0.0000
41	I	A	0.0000
42	A	A	-0.0059
1	D	B	-2.0525
2	A	B	-1.4851
3	E	B	-1.9552
4	F	B	-0.2651
5	R	B	-1.8858
6	H	B	-2.0252
7	D	B	-1.7187
8	S	B	-1.3306
9	G	B	0.0000
10	Y	B	0.5975
11	E	B	-0.0487
12	V	B	-0.0672
13	H	B	-1.3138
14	H	B	-1.8203
15	Q	B	-2.1273
16	K	B	-1.4694
17	L	B	0.0000
18	V	B	0.4234
19	F	B	0.0000
20	F	B	0.2511
21	A	B	0.0000
22	E	B	-2.0122
23	D	B	-2.5728
24	V	B	-1.5085
25	G	B	-1.5640
26	S	B	-1.2546
27	N	B	-1.2009
28	K	B	-1.1472
29	G	B	-0.0620
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	0.4929
36	V	B	0.0000
37	G	B	0.0000
38	G	B	0.0000
39	V	B	0.3659
40	V	B	0.0000
41	I	B	0.0000
42	A	B	-0.0204
1	D	C	-2.0392
2	A	C	-1.3005
3	E	C	-1.9934
4	F	C	-0.5983
5	R	C	-2.1902
6	H	C	-1.7471
7	D	C	-1.9819
8	S	C	-1.3115
9	G	C	0.0000
10	Y	C	0.2025
11	E	C	-0.0966
12	V	C	0.0806
13	H	C	-1.1422
14	H	C	-1.8355
15	Q	C	-1.4549
16	K	C	-0.6986
17	L	C	0.0000
18	V	C	0.9415
19	F	C	1.0942
20	F	C	1.0375
21	A	C	-0.4790
22	E	C	-2.0489
23	D	C	-1.9309
24	V	C	-0.8631
25	G	C	-1.1601
26	S	C	-0.8366
27	N	C	-0.9540
28	K	C	-0.7122
29	G	C	0.0000
30	A	C	0.0000
31	I	C	0.0000
32	I	C	0.0000
33	G	C	0.0000
34	L	C	0.0000
35	M	C	0.8744
36	V	C	0.0000
37	G	C	0.0000
38	G	C	0.0000
39	V	C	1.1025
40	V	C	0.0000
41	I	C	0.0000
42	A	C	-0.0923
1	D	D	-2.2256
2	A	D	-1.5421
3	E	D	-1.9451
4	F	D	-0.6555
5	R	D	-2.3769
6	H	D	-2.9690
7	D	D	-2.5890
8	S	D	-1.7067
9	G	D	-0.1573
10	Y	D	1.1674
11	E	D	0.2595
12	V	D	0.5589
13	H	D	-1.0749
14	H	D	-1.9683
15	Q	D	-1.7770
16	K	D	-1.3439
17	L	D	0.1927
18	V	D	0.0000
19	F	D	0.8975
20	F	D	0.0096
21	A	D	-1.2865
22	E	D	-2.7484
23	D	D	-2.8965
24	V	D	-1.5401
25	G	D	-1.5426
26	S	D	-1.1997
27	N	D	-1.3772
28	K	D	-1.3205
29	G	D	-0.6401
30	A	D	0.0000
31	I	D	-0.1108
32	I	D	0.1060
33	G	D	0.0000
34	L	D	0.0000
35	M	D	0.0000
36	V	D	0.0000
37	G	D	0.0000
38	G	D	0.0000
39	V	D	0.0000
40	V	D	1.0875
41	I	D	1.2380
42	A	D	0.8811
1	D	E	-2.0549
2	A	E	-1.4187
3	E	E	-2.0386
4	F	E	-0.6612
5	R	E	-2.7980
6	H	E	-2.9164
7	D	E	-2.8903
8	S	E	-1.9351
9	G	E	-0.2593
10	Y	E	1.1707
11	E	E	-0.0307
12	V	E	-0.2388
13	H	E	-1.7468
14	H	E	-2.0814
15	Q	E	-2.1300
16	K	E	-2.2972
17	L	E	-0.0536
18	V	E	0.5641
19	F	E	1.6379
20	F	E	1.4275
21	A	E	-0.5329
22	E	E	-2.4500
23	D	E	-3.1100
24	V	E	-1.3436
25	G	E	-1.5408
26	S	E	-1.0273
27	N	E	-1.2923
28	K	E	0.0000
29	G	E	-0.7436
30	A	E	-0.2911
31	I	E	0.0000
32	I	E	0.0000
33	G	E	0.1355
34	L	E	0.0000
35	M	E	0.6297
36	V	E	0.0000
37	G	E	0.0000
38	G	E	0.8210
39	V	E	1.2156
40	V	E	1.1692
41	I	E	0.0000
42	A	E	0.3744
1	D	F	-2.0251
2	A	F	-1.3977
3	E	F	-1.9953
4	F	F	-0.4567
5	R	F	-2.1655
6	H	F	-2.3013
7	D	F	-2.1296
8	S	F	-1.3396
9	G	F	0.0206
10	Y	F	1.3413
11	E	F	0.5176
12	V	F	1.0126
13	H	F	-0.6977
14	H	F	-1.6592
15	Q	F	-1.4466
16	K	F	-0.9260
17	L	F	0.4318
18	V	F	0.0000
19	F	F	0.8981
20	F	F	0.0840
21	A	F	-1.2448
22	E	F	-2.7634
23	D	F	-2.9183
24	V	F	-1.8497
25	G	F	-1.7841
26	S	F	-1.4103
27	N	F	-1.8132
28	K	F	-2.0033
29	G	F	-1.3646
30	A	F	0.0000
31	I	F	0.0000
32	I	F	-0.2027
33	G	F	-0.2176
34	L	F	0.0000
35	M	F	0.3949
36	V	F	0.0000
37	G	F	0.0000
38	G	F	0.0000
39	V	F	0.0000
40	V	F	1.5197
41	I	F	1.5279
42	A	F	0.9522
1	D	G	-2.0485
2	A	G	-1.2968
3	E	G	-2.1063
4	F	G	-0.9566
5	R	G	-2.8970
6	H	G	-2.8941
7	D	G	-2.8590
8	S	G	-1.9657
9	G	G	-0.5775
10	Y	G	1.2811
11	E	G	-0.3152
12	V	G	-0.0448
13	H	G	-1.5877
14	H	G	-2.0266
15	Q	G	-2.2212
16	K	G	-2.1717
17	L	G	0.0057
18	V	G	0.6163
19	F	G	1.6541
20	F	G	1.1632
21	A	G	-0.7281
22	E	G	-2.3220
23	D	G	-3.0369
24	V	G	-1.5491
25	G	G	-1.5338
26	S	G	-1.2590
27	N	G	-1.5711
28	K	G	-1.0008
29	G	G	0.0000
30	A	G	-0.1342
31	I	G	0.3394
32	I	G	0.0000
33	G	G	0.0000
34	L	G	0.0000
35	M	G	1.2774
36	V	G	0.0000
37	G	G	0.0000
38	G	G	1.5032
39	V	G	2.6099
40	V	G	2.5499
41	I	G	0.0000
42	A	G	0.8132
1	G	H	0.2332
2	Y	H	1.5743
3	E	H	0.3192
4	V	H	0.8027
5	H	H	-0.7111
6	H	H	-1.5267
7	Q	H	-1.7289
8	K	H	-0.6397
9	L	H	0.0000
10	V	H	1.0149
11	F	H	1.4386
12	F	H	1.0750
13	A	H	-0.4350
14	E	H	-2.1782
15	D	H	-2.6836
16	V	H	-1.4537
17	G	H	-1.7232
18	S	H	-1.7954
19	N	H	-2.0916
20	K	H	-1.7404
21	G	H	-1.2597
22	A	H	-0.6959
23	I	H	0.0000
24	I	H	-0.1238
25	G	H	-0.0853
26	L	H	0.0000
27	M	H	0.0000
28	V	H	0.0000
29	G	H	0.0000
30	G	H	0.0000
31	V	H	0.0000
32	V	H	0.9550
33	I	H	1.0868
34	A	H	0.2972