Project name: query_structure

Chain sequence(s)	A: GLPICGETCLLGKCYTPGCSCRRPVCYKN
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.6719
• Maximal score value: 1.9192
• Average score: -0.1606
• Total score value: -4.6578

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	G	A	-0.3994
2	L	A	1.4383
3	P	A	0.9353
4	I	A	1.9192
5	C	A	0.9062
6	G	A	0.3654
7	E	A	0.0541
8	T	A	-0.2057
9	C	A	0.0000
10	L	A	1.2531
11	L	A	1.5612
12	G	A	-0.3069
13	K	A	-1.0824
14	C	A	-0.0885
15	Y	A	0.7584
16	T	A	0.3245
17	P	A	-0.1987
18	G	A	-0.7275
19	C	A	-0.4991
20	S	A	-1.1238
21	C	A	-1.2398
22	R	A	-2.6719
23	R	A	-2.2224
24	P	A	-1.0240
25	V	A	-0.5320
26	C	A	0.0000
27	Y	A	-0.2296
28	K	A	-0.5360
29	N	A	-1.0858