Project name: query_structure

Chain sequence(s)	A: NFDATDDEDNFDANMADNFDATDDEDNFDAIDNFDATDDEDNFDACMDNFDATDDEDNSNMADNFDATDDEDNSIDNFDATDDEDNSCMD
Selected Chain(s)	A
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 A 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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -4.5108
• Maximal score value: 1.049
• Average score: -1.9932
• Total score value: -179.3865

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	N	A	-2.0229
2	F	A	-2.0930
3	D	A	-2.7288
4	A	A	-2.7977
5	T	A	-2.4142
6	D	A	-3.4270
7	D	A	-4.0243
8	E	A	-4.2822
9	D	A	-3.8322
10	N	A	-2.2551
11	F	A	-0.1060
12	D	A	-1.5617
13	A	A	-0.6600
14	N	A	-0.5899
15	M	A	-0.5002
16	A	A	-0.7439
17	D	A	-2.1780
18	N	A	-1.4902
19	F	A	0.0126
20	D	A	-1.9950
21	A	A	-2.0337
22	T	A	-2.1057
23	D	A	-3.7260
24	D	A	-4.3056
25	E	A	-4.5108
26	D	A	-4.3159
27	N	A	-2.5699
28	F	A	-0.3601
29	D	A	-2.0336
30	A	A	-0.9996
31	I	A	-0.9366
32	D	A	-1.5818
33	N	A	-2.2126
34	F	A	-0.7969
35	D	A	-1.4252
36	A	A	-0.8223
37	T	A	-1.4508
38	D	A	-3.0841
39	D	A	-3.4491
40	E	A	-3.3449
41	D	A	-2.3459
42	N	A	-1.4143
43	F	A	-0.0600
44	D	A	-1.5564
45	A	A	-0.2879
46	C	A	0.8707
47	M	A	1.0490
48	D	A	-0.4163
49	N	A	-0.6199
50	F	A	1.0162
51	D	A	-1.3653
52	A	A	-2.0831
53	T	A	-3.3255
54	D	A	-3.6484
55	D	A	-4.2886
56	E	A	-4.3603
57	D	A	-4.2386
58	N	A	-3.3706
59	S	A	-2.4042
60	N	A	-2.2285
61	M	A	-0.6854
62	A	A	-0.8365
63	D	A	-2.3624
64	N	A	-1.5454
65	F	A	-0.0027
66	D	A	-2.0756
67	A	A	-1.4463
68	T	A	-2.5408
69	D	A	-4.2641
70	D	A	-4.2348
71	E	A	-4.4657
72	D	A	-4.3317
73	N	A	-3.1921
74	S	A	-1.0256
75	I	A	0.3878
76	D	A	-1.6046
77	N	A	-0.9332
78	F	A	0.1604
79	D	A	-1.6971
80	A	A	-1.0608
81	T	A	-1.9428
82	D	A	-3.2630
83	D	A	-4.0411
84	E	A	-4.1541
85	D	A	-3.4991
86	N	A	-2.4381
87	S	A	-0.8422
88	C	A	0.1077
89	M	A	0.3494
90	D	A	-1.0738