Project name: query_structure

Chain sequence(s)	A: GPLGSDHHMEFCRVCKDGGELLCCDTCPSSYHIHCLNPPLPEIPNPVDLSGEWLCPRCTCPALKGK
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.8856
• Maximal score value: 0.8198
• Average score: -0.9485
• Total score value: -62.6005

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	G	A	-0.3114
2	P	A	0.1601
3	L	A	0.8198
4	G	A	-0.6449
5	S	A	-1.5680
6	D	A	-2.5757
7	H	A	-2.3706
8	H	A	-1.7324
9	M	A	-1.3857
10	E	A	-2.6219
11	F	A	-1.9108
12	C	A	0.0000
13	R	A	-1.0009
14	V	A	0.7807
15	C	A	-0.1081
16	K	A	-2.2226
17	D	A	-2.8856
18	G	A	-2.5258
19	G	A	-2.0307
20	E	A	-2.2895
21	L	A	-1.2286
22	L	A	0.0000
23	C	A	-0.8420
24	C	A	0.0000
25	D	A	-2.2899
26	T	A	-1.1397
27	C	A	-0.9015
28	P	A	-1.4465
29	S	A	0.0000
30	S	A	0.0000
31	Y	A	0.0000
32	H	A	-1.1450
33	I	A	0.0000
34	H	A	-1.3925
35	C	A	-0.2911
36	L	A	0.0000
37	N	A	-1.6354
38	P	A	-1.2422
39	P	A	-1.3452
40	L	A	-0.7139
41	P	A	-0.9615
42	E	A	-1.7517
43	I	A	-0.2987
44	P	A	-0.7391
45	N	A	-1.3289
46	P	A	-0.8046
47	V	A	0.2093
48	D	A	-1.2216
49	L	A	-0.2503
50	S	A	-0.6370
51	G	A	-1.4180
52	E	A	-2.2594
53	W	A	-1.0753
54	L	A	-0.4553
55	C	A	0.0000
56	P	A	-0.9354
57	R	A	-1.4949
58	C	A	-0.6478
59	T	A	-0.1668
60	C	A	0.2720
61	P	A	-0.0688
62	A	A	0.1570
63	L	A	0.4080
64	K	A	-1.6229
65	G	A	-1.3696
66	K	A	-2.1017