Project name: query_structure

Chain sequence(s)	A: QVYKGGYARPIPRPPPFVRPLPGGPIGPYNGCPVSCRGISFSQARSCCSRLGRCCHVGKGYSG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -2.0375
• Maximal score value: 2.1528
• Average score: -0.2724
• Total score value: -17.1591

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	Q	A	-0.2570
2	V	A	1.3414
3	Y	A	0.9345
4	K	A	-0.6988
5	G	A	-0.5492
6	G	A	-0.3298
7	Y	A	0.3974
8	A	A	-0.2916
9	R	A	-1.3514
10	P	A	-0.2867
11	I	A	0.8403
12	P	A	-0.6495
13	R	A	-1.8338
14	P	A	-0.8995
15	P	A	-0.2515
16	P	A	0.7104
17	F	A	2.1528
18	V	A	1.8229
19	R	A	-0.3580
20	P	A	0.2187
21	L	A	0.9073
22	P	A	-0.1407
23	G	A	-0.2165
24	G	A	-0.3235
25	P	A	0.1963
26	I	A	1.4390
27	G	A	0.2935
28	P	A	0.2577
29	Y	A	0.6792
30	N	A	-0.8402
31	G	A	-0.9062
32	C	A	-0.2258
33	P	A	0.1123
34	V	A	1.2684
35	S	A	0.0459
36	C	A	-0.5296
37	R	A	-1.4347
38	G	A	-1.1733
39	I	A	-0.6047
40	S	A	-0.0800
41	F	A	0.8664
42	S	A	-0.3652
43	Q	A	-1.0619
44	A	A	0.0000
45	R	A	-2.0375
46	S	A	-1.5424
47	C	A	0.0000
48	C	A	-1.2984
49	S	A	-1.3320
50	R	A	-1.9479
51	L	A	-0.2036
52	G	A	-0.9432
53	R	A	-0.6048
54	C	A	0.0000
55	C	A	-0.3173
56	H	A	-1.2941
57	V	A	-0.7006
58	G	A	-0.8805
59	K	A	-1.9559
60	G	A	-0.7983
61	Y	A	0.4338
62	S	A	-0.2661
63	G	A	-0.2956