Project name: aaaw

Chain sequence(s)	A: LHDVLLVMQYFEKLQSRLTTQMMQALDFGKQHLNSCGRQGTGQIRKDGNQGSGIGRDAYRLRQKHSTR
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.3751
• Maximal score value: 1.9725
• Average score: -0.9723
• Total score value: -66.1157

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	L	A	1.3456
2	H	A	-0.0792
3	D	A	-0.3158
4	V	A	1.3767
5	L	A	1.1278
6	L	A	1.1460
7	V	A	1.6158
8	M	A	1.4114
9	Q	A	0.0000
10	Y	A	1.8400
11	F	A	1.9725
12	E	A	0.0000
13	K	A	-0.3243
14	L	A	0.7296
15	Q	A	0.2306
16	S	A	0.0000
17	R	A	-1.2713
18	L	A	0.5463
19	T	A	0.0232
20	T	A	-0.1937
21	Q	A	-0.1366
22	M	A	-0.5733
23	M	A	0.5833
24	Q	A	-0.2304
25	A	A	0.0000
26	L	A	-0.5152
27	D	A	-1.1256
28	F	A	-0.0280
29	G	A	-0.4675
30	K	A	-1.5613
31	Q	A	-1.9296
32	H	A	-1.2486
33	L	A	-1.2863
34	N	A	-2.3254
35	S	A	-1.9677
36	C	A	-1.3656
37	G	A	-2.0763
38	R	A	-3.0138
39	Q	A	-2.7993
40	G	A	-2.1561
41	T	A	-1.3839
42	G	A	-1.2103
43	Q	A	-1.6943
44	I	A	-0.6363
45	R	A	-2.9909
46	K	A	-3.3751
47	D	A	-2.4473
48	G	A	-2.7575
49	N	A	-3.2231
50	Q	A	-2.8056
51	G	A	-2.0593
52	S	A	-2.1985
53	G	A	-1.7005
54	I	A	0.0000
55	G	A	-1.3273
56	R	A	-2.0734
57	D	A	-1.4331
58	A	A	0.0000
59	Y	A	-1.0668
60	R	A	-2.5963
61	L	A	-1.9752
62	R	A	-2.0833
63	Q	A	-2.7854
64	K	A	-3.1210
65	H	A	0.0000
66	S	A	-1.6387
67	T	A	-2.0264
68	R	A	-2.4641