Project name: BRZ

Chain sequence(s)	A: PDKCKKVYENYPVSKCQLANQCNYDCKLDKHARSGECFYDEKRNLQCICDYCEY
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.8261
• Maximal score value: 0.5758
• Average score: -1.2217
• Total score value: -65.971

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	P	A	-1.7275
2	D	A	-2.9567
3	K	A	-3.3447
4	C	A	-2.5965
5	K	A	-3.2153
6	K	A	-2.3519
7	V	A	-0.8860
8	Y	A	-1.4236
9	E	A	-2.2718
10	N	A	-1.9037
11	Y	A	0.0000
12	P	A	-0.6241
13	V	A	0.2578
14	S	A	-0.0476
15	K	A	-0.4555
16	C	A	0.0000
17	Q	A	-0.4484
18	L	A	0.5635
19	A	A	-0.3767
20	N	A	-1.3887
21	Q	A	-1.0518
22	C	A	0.0000
23	N	A	-1.0964
24	Y	A	-0.5390
25	D	A	-0.8683
26	C	A	0.0000
27	K	A	-1.3650
28	L	A	-0.3854
29	D	A	-2.1246
30	K	A	-2.5418
31	H	A	-2.0997
32	A	A	0.0000
33	R	A	-1.2180
34	S	A	-1.2602
35	G	A	-1.6152
36	E	A	-1.7856
37	C	A	-0.0979
38	F	A	0.5758
39	Y	A	-0.1931
40	D	A	-2.2877
41	E	A	-3.4591
42	K	A	-3.8261
43	R	A	-3.5565
44	N	A	-2.3409
45	L	A	-0.4157
46	Q	A	-0.4576
47	C	A	0.0000
48	I	A	-0.6822
49	C	A	0.0000
50	D	A	-2.1907
51	Y	A	-1.4322
52	C	A	-1.0088
53	E	A	-1.4503
54	Y	A	0.0004