Project name: query_structure

Chain sequence(s)	A: SAFTVWSGPGCNNRAERYSKCGCSAIHQKGGYDFSYTGQTAALYNQAGCSGVAHTRFGSSARACNPFGWKSIFIQC
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.864
• Maximal score value: 1.1037
• Average score: -0.8731
• Total score value: -66.3521

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	S	A	-0.4577
2	A	A	-0.6449
3	F	A	0.0000
4	T	A	0.0000
5	V	A	0.0000
6	W	A	-2.1947
7	S	A	-2.1707
8	G	A	-1.7065
9	P	A	-1.4338
10	G	A	-1.3753
11	C	A	-1.5227
12	N	A	-1.8918
13	N	A	-2.2850
14	R	A	-2.8640
15	A	A	-2.0866
16	E	A	-2.5984
17	R	A	-2.5339
18	Y	A	-1.3287
19	S	A	-1.1732
20	K	A	-1.6067
21	C	A	-0.2519
22	G	A	-0.1298
23	C	A	-0.0057
24	S	A	-0.4824
25	A	A	-0.5896
26	I	A	0.0000
27	H	A	-1.7363
28	Q	A	-2.3054
29	K	A	-2.5347
30	G	A	0.0000
31	G	A	0.0000
32	Y	A	0.0000
33	D	A	0.0000
34	F	A	0.0000
35	S	A	-0.5763
36	Y	A	-0.2008
37	T	A	-0.4170
38	G	A	-0.6572
39	Q	A	-0.4949
40	T	A	-0.6549
41	A	A	0.0000
42	A	A	0.0000
43	L	A	0.0000
44	Y	A	-0.6796
45	N	A	-1.2527
46	Q	A	-1.4694
47	A	A	-1.0677
48	G	A	-0.6819
49	C	A	-0.1624
50	S	A	-0.4470
51	G	A	-0.1522
52	V	A	1.1037
53	A	A	-0.1435
54	H	A	-1.1695
55	T	A	-1.3738
56	R	A	-1.9491
57	F	A	-0.8532
58	G	A	-0.8895
59	S	A	-0.8547
60	S	A	-0.7589
61	A	A	-0.9740
62	R	A	-1.9664
63	A	A	-1.0958
64	C	A	-0.9416
65	N	A	-1.6833
66	P	A	-1.2120
67	F	A	-1.0669
68	G	A	-0.9691
69	W	A	-1.0387
70	K	A	-1.4938
71	S	A	0.0000
72	I	A	0.0000
73	F	A	0.1729
74	I	A	0.0000
75	Q	A	-0.5133
76	C	A	0.1428