Project name: GHKYSDEPR

Chain sequence(s)	A: GHKGHKGHKYSDEPRGHKGHKGHKYSDEPRGHKGHKGHKYSDEPRGHKGHKGHKYSDEPRGHKGHKGHK
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)

• Minimal score value: -3.5109
• Maximal score value: -0.469
• Average score: -2.5187
• Total score value: -173.7931

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	-1.4073
2	H	A	-2.2589
3	K	A	-2.9617
4	G	A	-2.6685
5	H	A	-2.7628
6	K	A	-3.1304
7	G	A	-2.3996
8	H	A	-2.2044
9	K	A	-2.1200
10	Y	A	-0.6689
11	S	A	-1.4868
12	D	A	-2.8937
13	E	A	-3.2181
14	P	A	-2.8144
15	R	A	-3.2608
16	G	A	-2.6447
17	H	A	-2.6451
18	K	A	-2.9335
19	G	A	-2.4376
20	H	A	-2.7111
21	K	A	-2.9925
22	G	A	-2.2700
23	H	A	-2.3336
24	K	A	-2.1138
25	Y	A	-0.7107
26	S	A	-1.4239
27	D	A	-2.7202
28	E	A	-3.1825
29	P	A	-2.6199
30	R	A	-2.9856
31	G	A	-2.5843
32	H	A	-2.7464
33	K	A	-2.9639
34	G	A	-2.5163
35	H	A	-2.6073
36	K	A	-2.9150
37	G	A	-2.3931
38	H	A	-1.9114
39	K	A	-2.0662
40	Y	A	-0.5871
41	S	A	-1.9025
42	D	A	-3.2420
43	E	A	-3.5109
44	P	A	-3.1158
45	R	A	-3.4386
46	G	A	-2.5861
47	H	A	-3.0148
48	K	A	-3.3051
49	G	A	-2.7986
50	H	A	-2.8135
51	K	A	-3.4282
52	G	A	-2.3801
53	H	A	-2.1965
54	K	A	-1.9097
55	Y	A	-0.4690
56	S	A	-1.3579
57	D	A	-2.9556
58	E	A	-3.1554
59	P	A	-2.7030
60	R	A	-3.2376
61	G	A	-2.4765
62	H	A	-2.7659
63	K	A	-3.1437
64	G	A	-2.5877
65	H	A	-2.7592
66	K	A	-2.9075
67	G	A	-2.4374
68	H	A	-2.5841
69	K	A	-2.3382