Project name: query_structure

Chain sequence(s)	A: AACSDRAHGHICESFKSFCKDSGRNGVKLRANCKKTCGLC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -2.8479
• Maximal score value: 0.4725
• Average score: -1.2634
• Total score value: -50.5345

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	A	A	0.2052
2	A	A	0.0519
3	C	A	-0.4581
4	S	A	-1.4444
5	D	A	-2.4850
6	R	A	-2.8479
7	A	A	-2.3135
8	H	A	-1.8522
9	G	A	-2.0286
10	H	A	-1.8286
11	I	A	-1.3817
12	C	A	0.0000
13	E	A	-2.3167
14	S	A	-1.1361
15	F	A	-0.6365
16	K	A	-1.9911
17	S	A	-0.9043
18	F	A	-0.3641
19	C	A	0.0000
20	K	A	-1.8047
21	D	A	-1.7068
22	S	A	-1.0573
23	G	A	-1.5024
24	R	A	-2.2401
25	N	A	-1.8858
26	G	A	0.0000
27	V	A	-0.5461
28	K	A	-1.6454
29	L	A	0.0000
30	R	A	-1.9713
31	A	A	-1.5823
32	N	A	-2.3682
33	C	A	0.0000
34	K	A	-2.1895
35	K	A	-2.4141
36	T	A	-1.9171
37	C	A	-1.6847
38	G	A	-0.8357
39	L	A	0.0762
40	C	A	0.4725