Project name: aaa

Chain sequence(s)	A: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; C: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; B: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; E: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; D: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; G: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; F: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; I: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS; H: QLHQQQHHQQQHHQQHHQQHQQQQQLHQHQQQLS
Selected Chain(s)	A,C,B,E,D,G,F,I,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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:17)

• Minimal score value: -3.5275
• Maximal score value: 1.2347
• Average score: -1.0297
• Total score value: -287.2725

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
23	Q	A	-1.8541
24	L	A	-1.0964
25	H	A	-1.3952
26	Q	A	0.0000
27	Q	A	-1.5676
28	Q	A	0.0000
29	H	A	-1.5583
30	Q	A	0.0000
31	Q	A	-1.6529
32	Q	A	0.0000
33	H	A	-1.5591
34	Q	A	0.0000
35	Q	A	-2.0683
36	H	A	-2.1916
37	Q	A	0.0000
38	Q	A	-1.6244
39	H	A	0.0000
40	Q	A	0.0000
41	Q	A	0.0000
42	Q	A	-1.4480
43	Q	A	0.0000
44	Q	A	-1.0770
45	L	A	0.0000
46	H	A	0.0000
47	Q	A	0.0000
48	H	A	0.0000
49	Q	A	0.0000
50	Q	A	0.0000
51	Q	A	0.0000
52	L	A	0.4162
53	S	A	0.2956
23	Q	B	-1.8181
24	L	B	-1.0333
25	H	B	-1.3808
26	Q	B	0.0000
27	Q	B	-1.8331
28	Q	B	0.0000
29	H	B	-1.7987
30	Q	B	0.0000
31	Q	B	-1.6691
32	Q	B	0.0000
33	H	B	-1.6818
34	Q	B	0.0000
35	Q	B	-2.9019
36	H	B	-3.1128
37	Q	B	0.0000
38	Q	B	-1.7869
39	H	B	0.0000
40	Q	B	0.0000
41	Q	B	0.0000
42	Q	B	-1.4564
43	Q	B	0.0000
44	Q	B	-1.1100
45	L	B	0.0000
46	H	B	0.0000
47	Q	B	0.0000
48	H	B	0.0000
49	Q	B	0.0000
50	Q	B	0.0000
51	Q	B	0.0000
52	L	B	0.4519
53	S	B	0.2961
23	Q	C	-1.8262
24	L	C	-1.0368
25	H	C	-1.3014
26	Q	C	0.0000
27	Q	C	-1.5538
28	Q	C	0.0000
29	H	C	-1.6828
30	Q	C	0.0000
31	Q	C	-2.0282
32	Q	C	0.0000
33	H	C	-2.1973
34	Q	C	0.0000
35	Q	C	-3.5275
36	H	C	-3.3884
37	Q	C	0.0000
38	Q	C	-1.8667
39	H	C	0.0000
40	Q	C	0.0000
41	Q	C	0.0000
42	Q	C	-1.4420
43	Q	C	0.0000
44	Q	C	-1.1313
45	L	C	0.0000
46	H	C	0.0000
47	Q	C	0.0000
48	H	C	0.0000
49	Q	C	0.0000
50	Q	C	0.0000
51	Q	C	0.0000
52	L	C	0.4620
53	S	C	0.3114
23	Q	D	-1.5034
24	L	D	-0.3702
25	H	D	-1.5005
26	Q	D	-1.0820
27	Q	D	-2.0896
28	Q	D	-1.7265
29	H	D	-2.0275
30	Q	D	-1.7587
31	Q	D	-2.1622
32	Q	D	-1.6340
33	H	D	-1.8747
34	Q	D	-1.7067
35	Q	D	-2.4104
36	H	D	-2.1888
37	Q	D	-1.6891
38	Q	D	-1.7406
39	H	D	-1.0128
40	Q	D	-1.0431
41	Q	D	-1.1027
42	Q	D	-1.1853
43	Q	D	-1.2021
44	Q	D	-1.6402
45	L	D	0.0000
46	H	D	-0.8983
47	Q	D	0.0000
48	H	D	-1.0153
49	Q	D	0.0000
50	Q	D	-0.6708
51	Q	D	0.0000
52	L	D	1.1749
53	S	D	0.5464
23	Q	E	-1.5532
24	L	E	-0.5101
25	H	E	-1.1870
26	Q	E	-0.7675
27	Q	E	-1.1299
28	Q	E	-1.0495
29	H	E	-1.1945
30	Q	E	-1.2215
31	Q	E	-1.3261
32	Q	E	-0.8792
33	H	E	-0.9819
34	Q	E	-1.3932
35	Q	E	-2.0130
36	H	E	-2.1430
37	Q	E	-2.1906
38	Q	E	-2.0081
39	H	E	-1.5722
40	Q	E	-1.5531
41	Q	E	-1.6700
42	Q	E	-1.8097
43	Q	E	-1.4660
44	Q	E	-0.8892
45	L	E	-0.0888
46	H	E	-0.5161
47	Q	E	-1.1849
48	H	E	-1.1778
49	Q	E	-1.4887
50	Q	E	-0.9138
51	Q	E	-0.8393
52	L	E	0.2207
53	S	E	-0.0563
23	Q	F	-1.4120
24	L	F	-0.3515
25	H	F	-1.4382
26	Q	F	-1.0825
27	Q	F	-2.1496
28	Q	F	-1.7298
29	H	F	-2.0951
30	Q	F	-1.7208
31	Q	F	-2.1608
32	Q	F	-1.6904
33	H	F	-2.0638
34	Q	F	-2.0087
35	Q	F	-2.8160
36	H	F	-2.5731
37	Q	F	-1.8917
38	Q	F	-1.7236
39	H	F	-0.9672
40	Q	F	-1.0259
41	Q	F	-1.0907
42	Q	F	-1.1867
43	Q	F	-1.2216
44	Q	F	-1.6897
45	L	F	0.0000
46	H	F	-1.0211
47	Q	F	0.0000
48	H	F	-0.7518
49	Q	F	0.0000
50	Q	F	-0.4010
51	Q	F	0.0000
52	L	F	1.2260
53	S	F	0.5447
23	Q	G	-1.5163
24	L	G	-0.5483
25	H	G	-1.1439
26	Q	G	-0.9136
27	Q	G	-1.6469
28	Q	G	-1.5405
29	H	G	-1.7728
30	Q	G	-1.3828
31	Q	G	-1.3010
32	Q	G	-0.7992
33	H	G	-1.0190
34	Q	G	-1.5952
35	Q	G	-2.3134
36	H	G	-2.5251
37	Q	G	-2.4993
38	Q	G	-2.0989
39	H	G	-1.5365
40	Q	G	-1.5599
41	Q	G	-1.6901
42	Q	G	-1.8218
43	Q	G	-1.4759
44	Q	G	-0.8954
45	L	G	-0.0794
46	H	G	-0.5260
47	Q	G	-1.1385
48	H	G	-1.1608
49	Q	G	-1.5923
50	Q	G	-0.9113
51	Q	G	-0.8995
52	L	G	0.2056
53	S	G	-0.0632
23	Q	H	-1.3815
24	L	H	-0.2797
25	H	H	-1.3143
26	Q	H	-0.9830
27	Q	H	-2.0546
28	Q	H	-1.7324
29	H	H	-2.0629
30	Q	H	-1.7422
31	Q	H	-2.2997
32	Q	H	-1.7462
33	H	H	-2.2260
34	Q	H	-2.1389
35	Q	H	-3.0269
36	H	H	-2.7014
37	Q	H	-2.0128
38	Q	H	-1.8183
39	H	H	-1.1177
40	Q	H	-1.0780
41	Q	H	-1.0932
42	Q	H	-1.1803
43	Q	H	-1.2297
44	Q	H	-1.7000
45	L	H	0.0000
46	H	H	-1.0744
47	Q	H	0.0000
48	H	H	-0.8282
49	Q	H	0.0000
50	Q	H	-0.5124
51	Q	H	0.0000
52	L	H	1.2347
53	S	H	0.5637
23	Q	I	-1.5534
24	L	I	-0.6223
25	H	I	-1.1708
26	Q	I	-0.7536
27	Q	I	-1.1323
28	Q	I	-1.0192
29	H	I	-1.2851
30	Q	I	0.0000
31	Q	I	-2.0042
32	Q	I	-1.3783
33	H	I	-1.7862
34	Q	I	-2.0775
35	Q	I	-2.8063
36	H	I	-2.7454
37	Q	I	-2.6449
38	Q	I	-2.0687
39	H	I	-1.5404
40	Q	I	-1.5459
41	Q	I	-1.6482
42	Q	I	-1.8109
43	Q	I	-1.4769
44	Q	I	-0.9263
45	L	I	-0.1653
46	H	I	-0.5972
47	Q	I	-1.2797
48	H	I	-1.1154
49	Q	I	-1.4020
50	Q	I	-0.8475
51	Q	I	-0.7782
52	L	I	0.2408
53	S	I	-0.0484