Project name: query_structure

Chain sequence(s)	A: QCTGGADCTSCTGACTGCGNCPNAVTCTNSQHCVKANTCTGSTDCNTAQTCTNSKDCFEANTCTDSTNCYKATACTNSSGCP
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -2.4527
• Maximal score value: 0.4623
• Average score: -0.8007
• Total score value: -65.6557

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
2	Q	A	-1.6237
3	C	A	-1.0804
4	T	A	-0.8864
5	G	A	-1.2206
6	G	A	-1.3154
7	A	A	-1.3565
8	D	A	-2.4527
9	C	A	0.0000
10	T	A	-1.1179
11	S	A	-0.9251
12	C	A	0.0000
13	T	A	-0.3287
14	G	A	0.0021
15	A	A	0.1212
16	C	A	0.0000
17	T	A	-0.9273
18	G	A	-1.1915
19	C	A	0.0000
20	G	A	-1.6435
21	N	A	-1.6510
22	C	A	0.0000
23	P	A	-1.0175
24	N	A	-0.7136
25	A	A	0.0000
26	V	A	0.4623
27	T	A	-0.0256
28	C	A	0.0000
29	T	A	-1.0529
30	N	A	-1.8479
31	S	A	0.0000
32	Q	A	-1.9620
33	H	A	-1.7194
34	C	A	0.0000
35	V	A	-0.8409
36	K	A	-1.6457
37	A	A	0.0000
38	N	A	-1.2537
39	T	A	-0.6150
40	C	A	0.0000
41	T	A	-1.0620
42	G	A	-1.6112
43	S	A	0.0000
44	T	A	-1.6000
45	D	A	-1.2912
46	C	A	0.0000
47	N	A	-1.2550
48	T	A	-1.0409
49	A	A	0.0000
50	Q	A	-1.5464
51	T	A	-0.8851
52	C	A	0.0000
53	T	A	-1.1389
54	N	A	-2.2607
55	S	A	0.0000
56	K	A	-2.0601
57	D	A	-1.0827
58	C	A	0.0000
59	F	A	-0.5429
60	E	A	-1.4415
61	A	A	0.0000
62	N	A	-1.4285
63	T	A	-0.8689
64	C	A	0.0000
65	T	A	-1.1544
66	D	A	-2.0870
67	S	A	0.0000
68	T	A	-1.2610
69	N	A	-0.9245
70	C	A	0.0000
71	Y	A	-0.0899
72	K	A	-1.6714
73	A	A	0.0000
74	T	A	-0.5426
75	A	A	-0.3182
76	C	A	-0.4699
77	T	A	-0.8012
78	N	A	-1.7490
79	S	A	-1.4404
80	S	A	-0.8898
81	G	A	-0.4870
82	C	A	-0.4053
83	P	A	-0.4188