Project name: 65521fed7eeab82

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.0794
• Maximal score value: 4.1831
• Average score: 0.1643
• Total score value: 6.8994

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	D	A	-2.2949
2	A	A	-1.7139
3	E	A	-2.4638
4	F	A	-1.0030
5	R	A	-2.8663
6	H	A	-3.0794
7	D	A	-2.7971
8	S	A	-1.7110
9	G	A	-1.4694
10	Y	A	-1.2518
11	E	A	-2.3045
12	V	A	-0.7956
13	H	A	-0.7152
14	H	A	-1.2337
15	Q	A	-0.3608
16	K	A	0.2230
17	L	A	1.9195
18	V	A	2.2543
19	F	A	2.2945
20	F	A	2.1273
21	A	A	0.8276
22	E	A	-1.0766
23	D	A	-1.4721
24	V	A	-0.8051
25	G	A	-1.6211
26	S	A	-2.0420
27	N	A	-2.1781
28	K	A	-1.7419
29	G	A	-0.8168
30	A	A	0.0505
31	I	A	0.9245
32	I	A	2.4038
33	G	A	1.9557
34	L	A	3.0350
35	M	A	3.1969
36	V	A	4.1831
37	G	A	2.9347
38	G	A	2.9298
39	V	A	4.0514
40	V	A	4.1080
41	I	A	3.5161
42	A	A	1.7778