Project name: 1ab6743f49c2026

Chain sequence(s)	A: RYTDDGETLMEEALRQQELEQRDTICYRNT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.8632
• Maximal score value: -0.1135
• Average score: -2.1463
• Total score value: -64.3884

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	R	A	-1.4309
2	Y	A	-0.2745
3	T	A	-1.6391
4	D	A	-2.8876
5	D	A	-2.6780
6	G	A	-2.1264
7	E	A	-3.0924
8	T	A	-2.0452
9	L	A	-0.6980
10	M	A	-0.9811
11	E	A	-2.6526
12	E	A	-2.9464
13	A	A	-1.6565
14	L	A	-1.3297
15	R	A	-3.4594
16	Q	A	-3.6437
17	Q	A	-3.8254
18	E	A	-3.8452
19	L	A	-2.8442
20	E	A	-3.8632
21	Q	A	-3.4285
22	R	A	-3.3219
23	D	A	-2.7205
24	T	A	-1.6903
25	I	A	-0.8933
26	C	A	-0.5598
27	Y	A	-0.1135
28	R	A	-1.7372
29	N	A	-1.4751
30	T	A	-0.5288