Project name: 40915c66727519d

Chain sequence(s)	A: RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCG
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -2.0116
• Maximal score value: 2.0947
• Average score: -0.3253
• Total score value: -17.8926

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	R	A	-1.8677
2	P	A	-0.8016
3	D	A	-1.7564
4	F	A	-0.0045
5	C	A	0.0000
6	L	A	1.5112
7	E	A	0.0223
8	P	A	-0.3149
9	P	A	-0.0838
10	Y	A	0.4039
11	T	A	0.0079
12	G	A	-0.1256
13	P	A	-0.1246
14	C	A	-0.0113
15	K	A	-1.6358
16	A	A	-0.6277
17	R	A	-1.7183
18	I	A	0.6464
19	I	A	2.0947
20	R	A	0.0035
21	Y	A	0.2507
22	F	A	0.0000
23	Y	A	0.0000
24	N	A	-0.2905
25	A	A	-0.3988
26	K	A	-1.6872
27	A	A	-0.3435
28	G	A	-0.1984
29	L	A	1.3028
30	C	A	0.2145
31	Q	A	-0.6839
32	T	A	-0.1118
33	F	A	0.2643
34	V	A	0.6643
35	Y	A	0.0000
36	G	A	0.0000
37	G	A	-0.3083
38	C	A	-0.2418
39	R	A	-1.8050
40	A	A	-0.4559
41	K	A	-1.2434
42	R	A	-2.0116
43	N	A	0.0000
44	N	A	-0.1283
45	F	A	-0.1296
46	K	A	-1.6693
47	S	A	-0.3393
48	A	A	-0.2952
49	E	A	-1.7251
50	D	A	-0.9105
51	C	A	0.0000
52	M	A	0.7212
53	R	A	-1.6603
54	T	A	-0.3590
55	C	A	0.0686