Project name: c2f14c8c67f8a16

Chain sequence(s)	B: APTATRYQLLSRGPLEKVGQRVATATVIGAGLQAVSISVSGGVVTVTLRL
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]                                                (00:00:00)
[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 B 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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.0132
• Maximal score value: 2.9252
• Average score: 0.2204
• Total score value: 11.0199

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	B	0.1565
2	P	B	0.3271
3	T	B	0.3044
4	A	B	0.5578
5	T	B	-0.1767
6	R	B	-1.5566
7	Y	B	-0.8142
8	Q	B	-1.0289
9	L	B	0.3029
10	L	B	0.1836
11	S	B	-0.8836
12	R	B	-2.0132
13	G	B	-1.1348
14	P	B	-0.4470
15	L	B	0.5259
16	E	B	-1.0911
17	K	B	-1.3856
18	V	B	0.0157
19	G	B	-1.0518
20	Q	B	-1.8000
21	R	B	-1.3776
22	V	B	0.5907
23	A	B	0.3831
24	T	B	-0.4309
25	A	B	-0.3340
26	T	B	-0.2343
27	V	B	0.9320
28	I	B	1.9892
29	G	B	0.0000
30	A	B	0.3344
31	G	B	-0.2147
32	L	B	0.0510
33	Q	B	-1.0811
34	A	B	0.2915
35	V	B	0.9240
36	S	B	1.2260
37	I	B	2.9252
38	S	B	2.2216
39	V	B	2.6706
40	S	B	0.9496
41	G	B	0.1840
42	G	B	0.6009
43	V	B	2.1709
44	V	B	2.5372
45	T	B	1.9996
46	V	B	2.2415
47	T	B	0.7571
48	L	B	0.1899
49	R	B	-1.0663
50	L	B	0.5984