Project name: query_structure

Chain sequence(s)	B: EAEASSICSEPKKVGRCKGYFPRFYFDSETGKCTPFIYGGCGGNGNNFETLHQCRAICRALGG
Selected Chain(s)	B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.7026
• Maximal score value: 1.6051
• Average score: -0.8348
• Total score value: -50.9217

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
-3	E	B	-2.1542
-2	A	B	-1.5741
-1	E	B	-2.0008
0	A	B	-0.7489
1	S	B	-0.4795
2	I	B	-0.2501
3	C	B	0.0000
4	S	B	-1.1105
5	E	B	-1.3459
6	P	B	-1.6825
7	K	B	-1.8887
8	K	B	-1.7144
9	V	B	-0.1957
10	G	B	-1.4060
11	R	B	-2.2407
12	C	B	-1.3366
13	K	B	-1.4904
14	G	B	-0.0930
15	Y	B	1.6051
16	F	B	1.4395
17	P	B	0.3824
18	R	B	-0.1504
19	F	B	-0.7339
20	Y	B	0.0000
21	F	B	0.0000
22	D	B	-1.4640
23	S	B	-1.5841
24	E	B	-2.1054
25	T	B	-1.1490
26	G	B	0.0000
27	K	B	-1.5715
28	C	B	-1.0342
29	T	B	-0.5423
30	P	B	-0.3049
31	F	B	0.0000
32	I	B	1.1507
33	Y	B	0.0000
34	G	B	0.0000
35	G	B	-0.1391
36	C	B	-0.7742
37	G	B	-1.0064
38	G	B	-1.2033
39	N	B	-1.1329
40	G	B	-0.8732
41	N	B	0.0000
42	N	B	-1.2223
43	F	B	0.0000
44	E	B	-2.0273
45	T	B	-1.5219
46	L	B	-0.9486
47	H	B	-2.0325
48	Q	B	-1.8705
49	C	B	0.0000
50	R	B	-2.7026
51	A	B	-1.5449
52	I	B	-0.8975
53	C	B	0.0000
54	R	B	-2.4090
55	A	B	-0.9244
56	L	B	0.4542
57	G	B	-0.3713