Project name: DEFB1_1IJV

Chain sequence(s)	A: DHYNCVSSGGQCLYSACPIFTKIQGTCYRGKAKCCK
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -2.6782
• Maximal score value: 2.5383
• Average score: -0.4536
• Total score value: -16.3308

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	D	A	-2.2947
2	H	A	-1.1568
3	Y	A	0.2599
4	N	A	-1.2431
5	C	A	0.0000
6	V	A	0.1361
7	S	A	-0.3623
8	S	A	-0.5551
9	G	A	-0.7760
10	G	A	-1.0029
11	Q	A	-0.7777
12	C	A	-0.0841
13	L	A	0.6762
14	Y	A	0.8999
15	S	A	0.3104
16	A	A	0.4173
17	C	A	0.3716
18	P	A	1.1393
19	I	A	2.5383
20	F	A	2.3903
21	T	A	0.4664
22	K	A	-0.9642
23	I	A	-0.5644
24	Q	A	-1.5399
25	G	A	-1.7925
26	T	A	-1.9188
27	C	A	0.0000
28	Y	A	-1.2193
29	R	A	-2.6782
30	G	A	-2.4495
31	K	A	-2.1393
32	A	A	0.0000
33	K	A	-1.4041
34	C	A	0.0000
35	C	A	0.0000
36	K	A	-1.0136