Project name: 662615d00b188a9

Chain sequence(s)	A: GHKGHKGHKGFILRGHKGHKGHKGFILRGHKGHKGHKGFILRGHKGHKGHKGFILRGHKGHKGHK
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -4.6945
• Maximal score value: 3.0656
• Average score: -1.9268
• Total score value: -125.2441

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	-1.3681
2	H	A	-2.2950
3	K	A	-2.9677
4	G	A	-2.7678
5	H	A	-2.8777
6	K	A	-3.3210
7	G	A	-3.2980
8	H	A	-3.0557
9	K	A	-2.5609
10	G	A	-0.3590
11	F	A	2.2592
12	I	A	0.0000
13	L	A	2.4014
14	R	A	0.9409
15	G	A	-1.2818
16	H	A	-3.0128
17	K	A	-4.2106
18	G	A	-4.6945
19	H	A	-4.0670
20	K	A	-4.3811
21	G	A	-4.4227
22	H	A	-4.4643
23	K	A	-4.0570
24	G	A	0.0000
25	F	A	0.0000
26	I	A	1.7146
27	L	A	2.5056
28	R	A	-0.1968
29	G	A	0.0000
30	H	A	-2.9202
31	K	A	-4.1920
32	G	A	-3.3396
33	H	A	-3.6258
34	K	A	-3.5532
35	G	A	-3.5421
36	H	A	-3.6284
37	K	A	-2.8493
38	G	A	-0.9828
39	F	A	1.0501
40	I	A	2.2550
41	L	A	1.8194
42	R	A	-1.5439
43	G	A	-1.4712
44	H	A	-3.2521
45	K	A	-4.2376
46	G	A	-3.8869
47	H	A	-4.1349
48	K	A	-4.2009
49	G	A	-3.3557
50	H	A	-3.3909
51	K	A	-2.9844
52	G	A	-0.5091
53	F	A	2.3037
54	I	A	3.0656
55	L	A	2.8403
56	R	A	0.3406
57	G	A	-2.1348
58	H	A	-3.3140
59	K	A	-3.6227
60	G	A	-3.4625
61	H	A	-3.3659
62	K	A	-3.5640
63	G	A	-2.8620
64	H	A	-2.6417
65	K	A	-2.5124