Project name: query_structure

Chain sequence(s)	A: CIKNGNGCQPNGSQGNCCSGYCHKQPGWVAGYCRRK
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.3527
• Maximal score value: 1.6313
• Average score: -0.9959
• Total score value: -35.8532

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	C	A	0.2421
2	I	A	-0.7255
3	K	A	-2.8923
4	N	A	-2.9190
5	G	A	-1.7288
6	N	A	-1.3483
7	G	A	-1.1021
8	C	A	0.0000
9	Q	A	-1.5594
10	P	A	-0.7668
11	N	A	-1.5261
12	G	A	-1.7376
13	S	A	-1.7032
14	Q	A	-2.1022
15	G	A	-1.9590
16	N	A	-1.4838
17	C	A	0.0000
18	C	A	0.3274
19	S	A	-0.5790
20	G	A	-0.4912
21	Y	A	-0.7459
22	C	A	-1.3000
23	H	A	-1.4706
24	K	A	-0.8276
25	Q	A	-0.7564
26	P	A	-0.4071
27	G	A	0.0906
28	W	A	1.4839
29	V	A	1.6313
30	A	A	0.2497
31	G	A	0.0000
32	Y	A	-0.8105
33	C	A	0.0000
34	R	A	-2.5871
35	R	A	-3.3527
36	K	A	-2.9960