Project name: query_structure

Chain sequence(s)	A: CGETCTLGTCYTQGCTCSWPICKRNGLPV
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.9398
• Maximal score value: 1.5339
• Average score: 0.1235
• Total score value: 3.5814

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	C	A	0.4289
2	G	A	0.1116
3	E	A	0.1327
4	T	A	0.6015
5	C	A	0.0000
6	T	A	0.9932
7	L	A	1.5339
8	G	A	0.7728
9	T	A	0.8428
10	C	A	0.7707
11	Y	A	0.9957
12	T	A	-0.3271
13	Q	A	-1.2124
14	G	A	-1.4677
15	C	A	-1.0240
16	T	A	-0.6695
17	C	A	0.4501
18	S	A	0.4599
19	W	A	1.4873
20	P	A	1.0525
21	I	A	0.9208
22	C	A	0.0000
23	K	A	-0.7148
24	R	A	-1.9398
25	N	A	-1.8882
26	G	A	-0.9400
27	L	A	0.4650
28	P	A	0.4040
29	V	A	1.3415