Project name: 5ba543c4ceee86e

Chain sequence(s)	A: SYDLVMSKDYIYVTTIEYMYFYNGCEIHFFLTM
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -0.2904
• Maximal score value: 3.4325
• Average score: 1.6334
• Total score value: 53.9006

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	S	A	0.5364
2	Y	A	1.3210
3	D	A	-0.2904
4	L	A	0.7572
5	V	A	1.4238
6	M	A	0.9433
7	S	A	0.5269
8	K	A	-0.2381
9	D	A	0.1445
10	Y	A	2.0212
11	I	A	2.4018
12	Y	A	2.1805
13	V	A	2.0032
14	T	A	1.5271
15	T	A	1.8673
16	I	A	1.8438
17	E	A	0.7920
18	Y	A	2.1396
19	M	A	2.0284
20	Y	A	2.1513
21	F	A	2.9980
22	Y	A	2.2015
23	N	A	0.6434
24	G	A	1.3588
25	C	A	1.6557
26	E	A	0.9006
27	I	A	2.4139
28	H	A	1.6162
29	F	A	2.9532
30	F	A	3.4325
31	L	A	3.1178
32	T	A	2.2586
33	M	A	2.2696