Project name: query_structure

Chain sequence(s)	A: ADDDCLPRGSKCLGENKQCCKGTTCMFYANRCVGV
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -4.0037
• Maximal score value: 2.3013
• Average score: -1.1265
• Total score value: -39.4262

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	-2.2193
2	D	A	-3.6811
3	D	A	-4.0037
4	D	A	-3.5075
5	C	A	-1.6892
6	L	A	-1.2642
7	P	A	-1.3915
8	R	A	-2.5649
9	G	A	-2.2361
10	S	A	-1.9125
11	K	A	-2.6020
12	C	A	0.0000
13	L	A	0.6445
14	G	A	-0.6968
15	E	A	-2.3029
16	N	A	-2.6787
17	K	A	-3.3709
18	Q	A	-3.1716
19	C	A	-1.8580
20	C	A	-1.3139
21	K	A	-2.1976
22	G	A	-0.6947
23	T	A	-0.2510
24	T	A	0.0658
25	C	A	0.0677
26	M	A	1.1697
27	F	A	2.3013
28	Y	A	2.2368
29	A	A	0.0000
30	N	A	-0.2363
31	R	A	-2.0444
32	C	A	0.0000
33	V	A	-0.2673
34	G	A	0.4911
35	V	A	1.7530