Project name: Query2

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

• Minimal score value: -2.717
• Maximal score value: 4.3941
• Average score: 1.1085
• Total score value: 32.1461

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
27	T	A	2.2190
28	F	A	3.7376
29	F	A	4.3941
30	L	A	3.8744
31	I	A	3.4985
32	A	A	2.9671
33	C	A	2.7509
34	M	A	2.4607
35	L	A	1.8158
36	R	A	-0.3810
37	S	A	0.0065
38	P	A	1.7762
39	F	A	2.4003
40	C	A	2.3781
41	P	A	1.8250
42	W	A	2.3680
43	I	A	2.8429
44	T	A	1.4768
45	T	A	0.5614
46	T	A	0.0652
47	T	A	-0.1624
48	A	A	-0.1120
49	S	A	-0.4113
50	T	A	-0.5368
51	A	A	-1.0263
52	S	A	-1.0360
53	N	A	-2.3778
54	N	A	-2.5118
55	D	A	-2.7170