Project name: query_structure

Chain sequence(s)	A: AICTGADRPCAACCPCCPGTSCKAESNGVSYCRKDEP
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -4.093
• Maximal score value: 2.1874
• Average score: -1.0153
• Total score value: -37.5661

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	1.1030
2	I	A	2.1874
3	C	A	1.3544
4	T	A	0.0636
5	G	A	0.0000
6	A	A	-2.5689
7	D	A	-3.2081
8	R	A	-2.8889
9	P	A	-1.2348
10	C	A	-0.4230
11	A	A	0.2081
12	A	A	0.4525
13	C	A	0.8245
14	C	A	0.9480
15	P	A	0.4720
16	C	A	-0.6029
17	C	A	0.0536
18	P	A	-0.8259
19	G	A	-1.8315
20	T	A	-2.6791
21	S	A	-1.6957
22	C	A	-1.2419
23	K	A	-1.6070
24	A	A	-1.0566
25	E	A	-1.5491
26	S	A	-1.2197
27	N	A	-1.5335
28	G	A	-0.8382
29	V	A	0.1576
30	S	A	-0.6432
31	Y	A	-1.1652
32	C	A	0.0000
33	R	A	-3.6221
34	K	A	-4.0930
35	D	A	-3.9568
36	E	A	-3.3971
37	P	A	-1.5086