Project name: query_structure

Chain sequence(s)	A: FCYLPDDPGVCKAHIPRFYYNPASNKCKNFIYGGCGGNANNFETRAECRHTCVASGKGGPRP
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.4629
• Maximal score value: 2.5766
• Average score: -0.926
• Total score value: -57.4107

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	F	A	2.5766
2	C	A	1.5514
3	Y	A	2.0186
4	L	A	1.4872
5	P	A	-0.0691
6	D	A	-1.3154
7	D	A	-0.9975
8	P	A	-0.5175
9	G	A	0.1474
10	V	A	1.3890
11	C	A	0.3805
12	K	A	-1.0953
13	A	A	-0.6154
14	H	A	-0.8983
15	I	A	-0.1801
16	P	A	-0.6151
17	R	A	-1.5549
18	F	A	-2.2322
19	Y	A	0.0000
20	Y	A	0.0000
21	N	A	-1.2928
22	P	A	-0.5900
23	A	A	-0.6467
24	S	A	-1.5416
25	N	A	-2.3453
26	K	A	-3.2367
27	C	A	0.0000
28	K	A	-2.8343
29	N	A	-2.3917
30	F	A	0.0000
31	I	A	-0.1481
32	Y	A	-0.3440
33	G	A	0.0000
34	G	A	0.1177
35	C	A	0.5527
36	G	A	0.1040
37	G	A	-0.5407
38	N	A	-0.3711
39	A	A	0.4420
40	N	A	0.0000
41	N	A	-1.0142
42	F	A	0.0000
43	E	A	-2.5667
44	T	A	-2.6247
45	R	A	-3.4629
46	A	A	-2.3660
47	E	A	-2.9592
48	C	A	0.0000
49	R	A	-3.4342
50	H	A	-2.9729
51	T	A	-1.6382
52	C	A	-0.9796
53	V	A	-1.7841
54	A	A	-1.9965
55	S	A	-1.6710
56	G	A	-1.4315
57	K	A	-2.2447
58	G	A	-1.7805
59	G	A	-1.6799
60	P	A	-1.6101
61	R	A	-2.3699
62	P	A	-1.2172