Project name: f80d902df090eb2fc8149cb9f2fc4d42

Chain sequence(s)	B: GDYSIAKKAEEKQKANVLQQALAEHYSAEQASALSKLSPEEQQKLGQEILAEKLAGSGC
Selected Chain(s)	B
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 B 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                                          (00:03:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)

• Minimal score value: -4.9686
• Maximal score value: 0.5156
• Average score: -1.862
• Total score value: -109.8553

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	B	-0.4369
2	D	B	-0.9644
3	Y	B	0.4781
4	S	B	-0.0057
5	I	B	0.5156
6	A	B	-0.8812
7	K	B	-2.3145
8	K	B	-2.9944
9	A	B	-2.7747
10	E	B	-4.5820
11	E	B	-4.9686
12	K	B	-4.8792
13	Q	B	-4.5598
14	K	B	-4.4018
15	A	B	-3.4076
16	N	B	-3.4660
17	V	B	-2.0914
18	L	B	0.0000
19	Q	B	-2.9144
20	Q	B	-2.6306
21	A	B	0.0000
22	L	B	0.0000
23	A	B	-1.8766
24	E	B	-2.6993
25	H	B	-2.1790
26	Y	B	-1.4469
27	S	B	-1.4549
28	A	B	-1.4790
29	E	B	-2.3661
30	Q	B	-2.1075
31	A	B	-1.7005
32	S	B	-1.4702
33	A	B	-1.2899
34	L	B	0.0000
35	S	B	-1.1243
36	K	B	-1.7113
37	L	B	-1.1206
38	S	B	-1.6417
39	P	B	-2.1238
40	E	B	-3.1467
41	E	B	-3.0343
42	Q	B	-2.8216
43	Q	B	-3.4938
44	K	B	-3.6518
45	L	B	-2.3417
46	G	B	0.0000
47	Q	B	-3.1343
48	E	B	-3.1516
49	I	B	0.0000
50	L	B	-1.5818
51	A	B	-1.5635
52	E	B	-2.6214
53	K	B	-1.9823
54	L	B	-0.1807
55	A	B	-0.5772
56	G	B	-1.0845
57	S	B	-0.6000
58	G	B	-0.2263
59	C	B	0.4093