Project name: 236c0e2294e3b7c

Chain sequence(s)	B: GQLTAQSISVEDLPDGTGVLTLTLTLSQEAPLRLWWEDLETGERRLAAEI
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -4.1936
• Maximal score value: 2.2215
• Average score: -1.0203
• Total score value: -51.0172

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	-1.5861
2	Q	B	-1.5548
3	L	B	-0.3532
4	T	B	-0.2086
5	A	B	0.0040
6	Q	B	-0.6738
7	S	B	0.2995
8	I	B	2.2215
9	S	B	1.4081
10	V	B	1.2995
11	E	B	-1.4086
12	D	B	-2.3417
13	L	B	-1.5070
14	P	B	-1.7588
15	D	B	-2.3552
16	G	B	-1.7804
17	T	B	-1.4259
18	G	B	-1.0786
19	V	B	0.7196
20	L	B	1.3802
21	T	B	1.3586
22	L	B	1.4111
23	T	B	0.2405
24	L	B	0.3619
25	T	B	-0.0570
26	L	B	-0.0320
27	S	B	-1.1255
28	Q	B	-2.3415
29	E	B	-2.2179
30	A	B	-1.3065
31	P	B	-0.8957
32	L	B	-0.8772
33	R	B	-1.5830
34	L	B	-0.7005
35	W	B	-1.2590
36	W	B	-1.5685
37	E	B	-3.5983
38	D	B	-3.1733
39	L	B	-1.0915
40	E	B	-2.1000
41	T	B	-2.1602
42	G	B	-2.8382
43	E	B	-4.1936
44	R	B	-4.1515
45	R	B	-3.0960
46	L	B	-1.0678
47	A	B	-0.7856
48	A	B	-0.6295
49	E	B	-1.3210
50	I	B	0.4818