Project name: query_structure

Chain sequence(s)	A: GYCAEKGIRCDDIHCCTGLKCKCNASGYNCVCRKK
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -4.3903
• Maximal score value: 0.8786
• Average score: -1.5834
• Total score value: -55.4183

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	G	A	0.2372
2	Y	A	0.8786
3	C	A	-0.1730
4	A	A	0.0000
5	E	A	-2.9643
6	K	A	-3.3811
7	G	A	-2.1821
8	I	A	-1.1790
9	R	A	-2.5934
10	C	A	0.0000
11	D	A	-2.9989
12	D	A	-3.0296
13	I	A	-1.4248
14	H	A	-1.8277
15	C	A	-2.2297
16	C	A	-1.2991
17	T	A	-0.9720
18	G	A	-2.1525
19	L	A	0.0000
20	K	A	-3.6678
21	C	A	-2.4006
22	K	A	-2.3439
23	C	A	-1.1382
24	N	A	-1.1748
25	A	A	-0.6616
26	S	A	-0.4912
27	G	A	-0.5711
28	Y	A	0.0048
29	N	A	-1.2491
30	C	A	-1.1275
31	V	A	-1.3634
32	C	A	0.0000
33	R	A	-3.9334
34	K	A	-4.3903
35	K	A	-3.6188