Project name: 2d77f7179c2bee5

Chain sequence(s)	A: NKKECPEDYTYNPRCPQQYGWSDCDCMGDRFGGYCRQDGCSNYIHRS
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.9115
• Maximal score value: 0.2414
• Average score: -1.4044
• Total score value: -66.007

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	N	A	-2.7485
2	K	A	-3.6197
3	K	A	-3.9115
4	E	A	-3.3379
5	C	A	-1.8169
6	P	A	-1.7989
7	E	A	-2.5652
8	D	A	-2.4899
9	Y	A	-1.2429
10	T	A	-0.7168
11	Y	A	0.2261
12	N	A	-0.5312
13	P	A	-1.6190
14	R	A	-2.4413
15	C	A	-1.6495
16	P	A	-1.2198
17	Q	A	-1.6568
18	Q	A	-1.1902
19	Y	A	-0.0022
20	G	A	-0.6383
21	W	A	-1.1216
22	S	A	-1.7148
23	D	A	-2.8115
24	C	A	0.0000
25	D	A	-2.2026
26	C	A	0.0000
27	M	A	0.0000
28	G	A	-1.1018
29	D	A	-1.5570
30	R	A	-1.7922
31	F	A	-0.3406
32	G	A	-0.1506
33	G	A	0.0000
34	Y	A	-0.1376
35	C	A	-1.8234
36	R	A	-2.8346
37	Q	A	-2.2457
38	D	A	-2.0837
39	G	A	-1.2583
40	C	A	-1.4045
41	S	A	-0.5787
42	N	A	-0.5438
43	Y	A	0.2414
44	I	A	0.0000
45	H	A	-1.7485
46	R	A	-2.2309
47	S	A	-1.5956