Project name: query_structure

Chain sequence(s)	A: CAFKADDGPCKAIMKRFFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMC
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.9953
• Maximal score value: 1.684
• Average score: -0.9599
• Total score value: -48.9556

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
26	C	A	1.1893
27	A	A	1.3252
28	F	A	1.0619
29	K	A	-1.1283
30	A	A	-1.4053
31	D	A	-2.2014
32	D	A	-2.3756
33	G	A	-2.0011
34	P	A	-1.3911
35	C	A	-0.9168
36	K	A	-1.2937
37	A	A	0.1770
38	I	A	1.6840
39	M	A	0.4493
40	K	A	-1.1722
41	R	A	-1.7120
42	F	A	0.0000
43	F	A	-1.0802
44	F	A	-0.1647
45	N	A	-0.0781
46	I	A	1.1055
47	F	A	1.5373
48	T	A	-0.1898
49	R	A	-1.4746
50	Q	A	-1.9858
51	C	A	-1.7424
52	E	A	-1.7767
53	E	A	-2.3249
54	F	A	-0.7838
55	I	A	0.4935
56	Y	A	0.0000
57	G	A	0.0000
58	G	A	-0.6103
59	C	A	-1.4557
60	E	A	-2.4831
61	G	A	-2.4862
62	N	A	-1.7213
63	Q	A	-1.5638
64	N	A	0.0000
65	R	A	-1.9473
66	F	A	0.0000
67	E	A	-2.7384
68	S	A	-2.2964
69	L	A	-2.0607
70	E	A	-2.9953
71	E	A	-2.5140
72	C	A	0.0000
73	K	A	-2.8471
74	K	A	-2.4873
75	M	A	-0.3527
76	C	A	-0.2205