Project name: GabysProposal

Chain sequence(s)	A: ACTGSTQHQCGGGGGSGPAGPSGPAGKDGREAAAKKDIEAAAKKTTKS
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -4.0634
• Maximal score value: 0.3329
• Average score: -1.8459
• Total score value: -88.6017

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	A	A	0.3329
2	C	A	0.3141
3	T	A	-0.1219
4	G	A	-0.7391
5	S	A	-0.7961
6	T	A	-1.2933
7	Q	A	-1.9658
8	H	A	-2.1483
9	Q	A	-1.9348
10	C	A	-0.7721
11	G	A	-1.3741
12	G	A	-1.2238
13	G	A	-1.2471
14	G	A	-1.2507
15	G	A	-1.1648
16	S	A	-0.9124
17	G	A	-0.9455
18	P	A	-0.7159
19	A	A	-0.5347
20	G	A	-0.8124
21	P	A	-0.7515
22	S	A	-0.7206
23	G	A	-0.8621
24	P	A	-0.8482
25	A	A	-1.5477
26	G	A	-2.5501
27	K	A	-3.7759
28	D	A	-3.8704
29	G	A	-3.1411
30	R	A	-3.9798
31	E	A	-4.0634
32	A	A	-3.1779
33	A	A	-2.5465
34	A	A	-2.7532
35	K	A	-3.3912
36	K	A	-3.4924
37	D	A	-2.8119
38	I	A	-1.0203
39	E	A	-3.0765
40	A	A	-2.4846
41	A	A	-1.8013
42	A	A	-2.0510
43	K	A	-3.0768
44	K	A	-3.2916
45	T	A	-1.9718
46	T	A	-1.9997
47	K	A	-2.7221
48	S	A	-1.5163