Project name: query_structure

Chain sequence(s)	A: MAAEMHSFCAFKADRGPCRADFHRFFFNIFTRQCEEFHYGGCGGNQNRFESLEECKKMCTRDSASSASGDFD
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.2915
• Maximal score value: 1.3001
• Average score: -1.2986
• Total score value: -93.4999

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	M	A	0.7356
2	A	A	0.0234
3	A	A	-1.0657
4	E	A	-1.6795
5	M	A	-0.9281
6	H	A	-0.5953
7	S	A	-0.1245
8	F	A	0.3507
9	C	A	0.0000
10	A	A	0.3474
11	F	A	-0.1292
12	K	A	-1.7927
13	A	A	-2.3050
14	D	A	-2.6761
15	R	A	-3.2582
16	G	A	-1.7814
17	P	A	-1.0136
18	C	A	-1.1024
19	R	A	-2.2809
20	A	A	-1.7712
21	D	A	-2.3905
22	F	A	-1.1291
23	H	A	-2.0539
24	R	A	-2.3190
25	F	A	-2.0575
26	F	A	-1.5926
27	F	A	0.0000
28	N	A	-0.8255
29	I	A	0.1400
30	F	A	1.3001
31	T	A	-0.3986
32	R	A	-1.8797
33	Q	A	-2.1576
34	C	A	0.0000
35	E	A	-2.0176
36	E	A	-2.7984
37	F	A	0.0000
38	H	A	-2.7415
39	Y	A	0.0000
40	G	A	0.0000
41	G	A	-0.9188
42	C	A	-0.0997
43	G	A	-0.8718
44	G	A	-1.8749
45	N	A	-1.7733
46	Q	A	-1.6026
47	N	A	0.0000
48	R	A	-2.2415
49	F	A	-1.9857
50	E	A	-2.4282
51	S	A	-2.2481
52	L	A	-1.9983
53	E	A	-2.8915
54	E	A	-2.6207
55	C	A	0.0000
56	K	A	-3.2915
57	K	A	-3.2567
58	M	A	-1.6589
59	C	A	0.0000
60	T	A	-2.7029
61	R	A	-2.9389
62	D	A	-2.8095
63	S	A	-1.4550
64	A	A	-0.8974
65	S	A	-1.0009
66	S	A	-0.5662
67	A	A	-0.5471
68	S	A	-0.6328
69	G	A	-1.2418
70	D	A	-1.6501
71	F	A	0.1315
72	D	A	-1.4585