Project name: 30c845201b61c65

Chain sequence(s)	A: KLKSCPDGYTSGVECRFRGYTCANDGCWRVCSFTTCSGWMPASDTY
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                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.5216
• Maximal score value: 1.4133
• Average score: -0.4169
• Total score value: -19.1797

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	K	A	-1.3663
2	L	A	-0.1618
3	K	A	-1.7645
4	S	A	-1.2972
5	C	A	0.0000
6	P	A	-1.7150
7	D	A	-2.5216
8	G	A	-1.5206
9	Y	A	-1.0667
10	T	A	-0.5616
11	S	A	-0.8805
12	G	A	0.0000
13	V	A	-0.5372
14	E	A	-1.0012
15	C	A	0.0000
16	R	A	-1.5014
17	F	A	0.0881
18	R	A	-1.2101
19	G	A	-0.4674
20	Y	A	0.1152
21	T	A	-0.0322
22	C	A	0.0000
23	A	A	-1.2150
24	N	A	-1.9814
25	D	A	-2.3014
26	G	A	0.0000
27	C	A	0.0000
28	W	A	-0.1310
29	R	A	-0.9408
30	V	A	0.9364
31	C	A	0.6058
32	S	A	0.8795
33	F	A	1.4133
34	T	A	0.8989
35	T	A	0.8786
36	C	A	0.9218
37	S	A	0.4311
38	G	A	0.3084
39	W	A	0.9143
40	M	A	0.1677
41	P	A	-0.4038
42	A	A	-0.8407
43	S	A	-1.0828
44	D	A	-1.5198
45	T	A	-0.3467
46	Y	A	0.6299