Project name: query_structure

Chain sequence(s)	A: GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRCG
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.6844
• Maximal score value: 0.8308
• Average score: -0.921
• Total score value: -35.919

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	-0.1563
2	F	A	0.8308
3	G	A	-0.4047
4	C	A	-0.8417
5	P	A	-1.2694
6	N	A	-1.4883
7	N	A	-1.2607
8	Y	A	-0.3389
9	Q	A	-1.3804
10	C	A	0.0000
11	H	A	-1.4305
12	R	A	-2.5092
13	H	A	-1.3906
14	C	A	0.0000
15	K	A	-2.6844
16	S	A	-1.5850
17	I	A	-1.2144
18	P	A	-1.0953
19	G	A	-1.4389
20	R	A	-1.7597
21	C	A	-1.1050
22	G	A	0.0000
23	G	A	-0.2133
24	Y	A	0.3549
25	C	A	-0.7761
26	G	A	-1.1573
27	G	A	-1.0846
28	W	A	-0.9122
29	H	A	-1.7809
30	R	A	-2.4264
31	L	A	-1.1326
32	R	A	-1.2369
33	C	A	-0.6441
34	T	A	0.3222
35	C	A	-0.0048
36	Y	A	0.3172
37	R	A	-1.5947
38	C	A	-0.7270
39	G	A	-0.6998