Project name: 43a3a82eb26e49a

Chain sequence(s)	A: GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.0709
• Maximal score value: 1.2034
• Average score: -0.8272
• Total score value: -57.9008

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	-1.0939
2	P	A	-1.3407
3	E	A	-2.2238
4	T	A	-0.9561
5	L	A	-0.7763
6	C	A	0.1828
7	G	A	-0.4480
8	A	A	-0.9988
9	E	A	-2.3143
10	L	A	0.0000
11	V	A	-0.3100
12	D	A	-1.8057
13	A	A	-0.6327
14	L	A	0.0000
15	Q	A	-0.9587
16	F	A	0.9835
17	V	A	-0.0176
18	C	A	0.0000
19	G	A	-1.0820
20	D	A	-2.0022
21	R	A	-1.8471
22	G	A	-0.6166
23	F	A	-0.0088
24	Y	A	1.0227
25	F	A	1.2034
26	N	A	-0.8221
27	K	A	-1.3604
28	P	A	-0.6921
29	T	A	-0.6191
30	G	A	-0.2559
31	Y	A	0.7640
32	G	A	-0.1236
33	S	A	-0.6297
34	S	A	-1.0907
35	S	A	-1.7315
36	R	A	-2.9241
37	R	A	-3.0709
38	A	A	-1.8042
39	P	A	-1.5830
40	Q	A	-2.1022
41	T	A	-1.0495
42	G	A	-0.6254
43	I	A	0.0000
44	V	A	0.6136
45	D	A	-0.2877
46	E	A	-0.6391
47	C	A	0.0000
48	C	A	0.1200
49	F	A	1.0000
50	R	A	-1.1829
51	S	A	-1.1750
52	C	A	-1.0319
53	D	A	-1.9868
54	L	A	-1.1625
55	R	A	-2.6466
56	R	A	-2.2919
57	L	A	0.0000
58	E	A	-2.1963
59	M	A	-0.9874
60	Y	A	0.0000
61	C	A	0.0000
62	A	A	0.0000
63	P	A	-0.2710
64	L	A	0.0134
65	K	A	-1.6784
66	P	A	-1.1741
67	A	A	-1.2072
68	K	A	-2.1891
69	S	A	-1.2868
70	A	A	-0.4918