Project name: query_structure

Chain sequence(s)	A: WQPPWYCKEPVRIGSCKKQFSSFYFKWTAKKCLPFLFSGCGGNANRFQTIGECRKKCLGK
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.5103
• Maximal score value: 1.232
• Average score: -0.592
• Total score value: -35.5179

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	W	A	-0.5897
2	Q	A	-0.9632
3	P	A	-0.6114
4	P	A	-0.2960
5	W	A	0.3161
6	Y	A	-0.3584
7	C	A	0.0000
8	K	A	-1.4747
9	E	A	-1.0951
10	P	A	-0.7718
11	V	A	-0.1153
12	R	A	-0.7100
13	I	A	0.7263
14	G	A	-0.0759
15	S	A	-0.6275
16	C	A	-1.0172
17	K	A	-2.6070
18	K	A	-2.3443
19	Q	A	-0.7460
20	F	A	1.2320
21	S	A	0.6668
22	S	A	0.0000
23	F	A	0.5281
24	Y	A	0.0524
25	F	A	0.0000
26	K	A	-1.2358
27	W	A	-0.7851
28	T	A	-0.5981
29	A	A	-0.8596
30	K	A	-1.7195
31	K	A	-1.9846
32	C	A	0.0000
33	L	A	0.2004
34	P	A	0.6587
35	F	A	1.0546
36	L	A	1.2162
37	F	A	0.9093
38	S	A	0.0000
39	G	A	-0.1136
40	C	A	0.0577
41	G	A	-0.1800
42	G	A	-0.5714
43	N	A	-0.8561
44	A	A	-0.3826
45	N	A	0.0000
46	R	A	-0.4508
47	F	A	0.0000
48	Q	A	-0.8482
49	T	A	-0.0091
50	I	A	0.8724
51	G	A	-0.5897
52	E	A	-1.9453
53	C	A	0.0000
54	R	A	-3.2996
55	K	A	-3.5103
56	K	A	-2.4430
57	C	A	0.0000
58	L	A	-2.0386
59	G	A	-2.1532
60	K	A	-3.0312