Project name: Job5

Chain sequence(s)	A: EGRTCESPSKKYKGYCIHSSNCAKICRTKGFTGGECKGSFHRRCMCTKNCA
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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.1278
• Maximal score value: 0.9063
• Average score: -1.5236
• Total score value: -77.7048

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	E	A	-2.6684
2	G	A	-2.6034
3	R	A	-3.1278
4	T	A	-2.3728
5	C	A	-1.8007
6	E	A	-2.4294
7	S	A	-1.2851
8	P	A	-1.7118
9	S	A	-2.1220
10	K	A	-2.5366
11	K	A	-2.2926
12	Y	A	-1.9878
13	K	A	-2.2929
14	G	A	-0.9928
15	Y	A	0.3452
16	C	A	0.0000
17	I	A	0.9063
18	H	A	-0.4033
19	S	A	-1.4115
20	S	A	-1.1621
21	N	A	-1.2781
22	C	A	0.0000
23	A	A	-1.8895
24	K	A	-2.4172
25	I	A	-2.0665
26	C	A	0.0000
27	R	A	-2.8576
28	T	A	-1.9950
29	K	A	-2.5013
30	G	A	-1.6703
31	F	A	-1.8573
32	T	A	-1.4868
33	G	A	-1.7644
34	G	A	-1.9420
35	E	A	-2.1893
36	C	A	0.0000
37	K	A	-2.2486
38	G	A	-1.7386
39	S	A	-0.4470
40	F	A	0.7955
41	H	A	-0.8560
42	R	A	-1.8496
43	R	A	-2.6564
44	C	A	0.0000
45	M	A	-1.8308
46	C	A	0.0000
47	T	A	-1.8229
48	K	A	-2.3774
49	N	A	-2.6039
50	C	A	-1.5793
51	A	A	-0.6250