Project name: 772abd4c388a53b

Chain sequence(s)	A: TKTTCPDGQRDRGGCSGPYSCGGDNCCAYAAASVYRGYSCKDTY
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -3.2432
• Maximal score value: 1.506
• Average score: -0.918
• Total score value: -40.3942

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	T	A	-0.9174
2	K	A	-1.5689
3	T	A	-1.2763
4	T	A	-0.8279
5	C	A	-1.4362
6	P	A	-1.3240
7	D	A	-2.0195
8	G	A	-1.0373
9	Q	A	-1.3564
10	R	A	-1.8150
11	D	A	-2.5156
12	R	A	-3.2432
13	G	A	-2.2123
14	G	A	-1.6308
15	C	A	-1.3956
16	S	A	-0.8403
17	G	A	-0.6017
18	P	A	0.1020
19	Y	A	0.7228
20	S	A	-0.1906
21	C	A	-0.7013
22	G	A	-1.0203
23	G	A	-1.8884
24	D	A	-3.0274
25	N	A	-3.0541
26	C	A	0.0000
27	C	A	0.0000
28	A	A	-0.2466
29	Y	A	0.4961
30	A	A	0.8220
31	A	A	1.0133
32	A	A	0.3475
33	S	A	0.5835
34	V	A	1.5060
35	Y	A	0.3709
36	R	A	-1.4696
37	G	A	-1.1114
38	Y	A	-0.3254
39	S	A	-0.8907
40	C	A	-1.5340
41	K	A	-2.4329
42	D	A	-1.7307
43	T	A	-1.0387
44	Y	A	0.3222