Project name: query_structure

Chain sequence(s)	D: CLLPLDYGPCRALLLRYYYDRYTQSCRQFLYGGCEGNANNFYTWEACDDAC
Selected Chain(s)	D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with D chain(s) selected             (00:00:01)
[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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.9983
• Maximal score value: 2.1238
• Average score: -0.2565
• Total score value: -13.0819

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
5	C	D	1.0016
6	L	D	1.7377
7	L	D	1.1690
8	P	D	0.4232
9	L	D	0.6705
10	D	D	-0.3765
11	Y	D	0.6451
12	G	D	-0.7819
13	P	D	-0.8726
14	C	D	-0.6799
15	R	D	-1.1889
16	A	D	0.4445
17	L	D	2.1238
18	L	D	2.0674
19	L	D	1.6848
20	R	D	0.9443
21	Y	D	-0.3179
22	Y	D	0.0000
23	Y	D	-0.4531
24	D	D	0.0000
25	R	D	-0.7670
26	Y	D	0.3764
27	T	D	-0.6914
28	Q	D	-1.3609
29	S	D	-1.4525
30	C	D	0.0000
31	R	D	-2.3593
32	Q	D	-1.3104
33	F	D	0.0000
34	L	D	1.6983
35	Y	D	0.0000
36	G	D	0.0000
37	G	D	-0.0860
38	C	D	-1.1192
39	E	D	-1.9481
40	G	D	-1.2003
41	N	D	-0.7480
42	A	D	-0.1185
43	N	D	0.0000
44	N	D	0.4020
45	F	D	0.5234
46	Y	D	1.3753
47	T	D	-0.0265
48	W	D	-1.0522
49	E	D	-2.2706
50	A	D	-1.3532
51	C	D	0.0000
52	D	D	-2.9983
53	D	D	-2.8611
54	A	D	-1.2300
55	C	D	-0.7449