Project name: query_structure

Chain sequence(s)	A: GSPRTEYEACRVRCQVAEHGVERQRRCQQVCEKRLREREGRRE
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -5.5829
• Maximal score value: 0.3355
• Average score: -2.7178
• Total score value: -116.8659

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	-1.8329
2	S	A	-2.5680
3	P	A	-2.3339
4	R	A	-3.0898
5	T	A	-2.0737
6	E	A	-2.8285
7	Y	A	-2.7556
8	E	A	-2.1165
9	A	A	-1.6038
10	C	A	-1.5290
11	R	A	-1.7543
12	V	A	0.1008
13	R	A	-1.3426
14	C	A	-1.4676
15	Q	A	-1.5333
16	V	A	0.3355
17	A	A	-0.7402
18	E	A	-1.7906
19	H	A	-1.9092
20	G	A	-1.8043
21	V	A	-1.1741
22	E	A	-3.2113
23	R	A	-4.3526
24	Q	A	-3.4503
25	R	A	-3.5758
26	R	A	-3.6872
27	C	A	-2.8262
28	Q	A	-2.7913
29	Q	A	-2.6939
30	V	A	-0.8508
31	C	A	0.0000
32	E	A	-3.2655
33	K	A	-3.8979
34	R	A	-4.4164
35	L	A	-4.4402
36	R	A	-5.2642
37	E	A	-5.5829
38	R	A	-5.3637
39	E	A	-4.5549
40	G	A	-4.6879
41	R	A	-4.6727
42	R	A	-4.2645
43	E	A	-3.2041