Project name: query_structure

Chain sequence(s)	A: SGAIGPAPIPGAVLCAAGISCTACGLAGTLLNMGLSGAIGPAPIPGAVLCAAGISCTACGLAGTLLSL
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -0.2172
• Maximal score value: 3.007
• Average score: 1.3495
• Total score value: 91.7693

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	S	A	-0.2172
2	G	A	-0.0971
3	A	A	0.7611
4	I	A	1.6118
5	G	A	0.5233
6	P	A	0.3548
7	A	A	0.7320
8	P	A	0.8592
9	I	A	2.3230
10	P	A	1.4085
11	G	A	1.1548
12	A	A	1.6521
13	V	A	2.7527
14	L	A	2.3618
15	C	A	1.6744
16	A	A	1.4704
17	A	A	1.2905
18	G	A	0.9951
19	I	A	2.2241
20	S	A	1.0146
21	C	A	0.7322
22	T	A	0.8219
23	A	A	1.0256
24	C	A	1.0185
25	G	A	0.7616
26	L	A	1.9799
27	A	A	1.5834
28	G	A	1.3357
29	T	A	1.7798
30	L	A	2.9407
31	L	A	2.7117
32	N	A	2.0757
33	M	A	2.3743
34	G	A	1.3670
35	L	A	2.1478
36	S	A	1.5540
37	G	A	0.4623
38	A	A	0.9875
39	I	A	1.9135
40	G	A	0.2965
41	P	A	0.2876
42	A	A	0.5607
43	P	A	0.8930
44	I	A	2.1866
45	P	A	1.2898
46	G	A	1.0490
47	A	A	1.6868
48	V	A	2.4784
49	L	A	1.8092
50	C	A	1.2613
51	A	A	0.9829
52	A	A	0.8634
53	G	A	0.3936
54	I	A	1.1079
55	S	A	0.2915
56	C	A	0.6360
57	T	A	0.4952
58	A	A	0.7253
59	C	A	0.7740
60	G	A	0.7261
61	L	A	1.9601
62	A	A	1.4505
63	G	A	1.4158
64	T	A	1.7678
65	L	A	3.0070
66	L	A	2.7743
67	S	A	1.8069
68	L	A	2.3691