Project name: query_structure

Chain sequence(s)	A: ECRYLFGGCKTTSDCCKHLGCKFRDKYCAWDFTFS
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -2.4241
• Maximal score value: 2.1319
• Average score: -0.3421
• Total score value: -11.9721

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	E	A	-1.6941
2	C	A	-0.7035
3	R	A	-0.4877
4	Y	A	1.2871
5	L	A	2.0628
6	F	A	2.1319
7	G	A	0.4133
8	G	A	-0.9923
9	C	A	0.0000
10	K	A	-2.1740
11	T	A	-1.1141
12	T	A	-0.9112
13	S	A	-1.0624
14	D	A	-1.4167
15	C	A	-0.7126
16	C	A	-0.7470
17	K	A	-1.7394
18	H	A	-1.0370
19	L	A	0.0000
20	G	A	0.0000
21	C	A	0.0000
22	K	A	-1.3439
23	F	A	-0.2251
24	R	A	-2.0219
25	D	A	-1.9118
26	K	A	-2.4241
27	Y	A	-0.6194
28	C	A	0.0000
29	A	A	0.4338
30	W	A	0.4549
31	D	A	-0.7294
32	F	A	1.0767
33	T	A	1.3375
34	F	A	1.9731
35	S	A	0.9244