Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPSYSSTATISGLSPGVDYTITVYAYWEFEYGYWSYSPSSINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.4176
• Maximal score value: 1.6855
• Average score: -0.2231
• Total score value: -21.645

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	-0.3920
2	S	A	-0.0258
3	S	A	0.4661
4	V	A	1.5726
5	S	A	0.7824
6	S	A	0.0000
7	V	A	0.8419
8	P	A	0.0000
9	T	A	-1.4616
10	K	A	-2.4176
11	L	A	-1.3960
12	E	A	-1.3418
13	V	A	0.3763
14	V	A	1.6855
15	A	A	0.9493
16	A	A	0.2938
17	T	A	-0.3792
18	P	A	-0.8147
19	T	A	-0.5327
20	S	A	-0.3099
21	L	A	0.0000
22	L	A	0.8016
23	I	A	0.0000
24	S	A	-0.5468
25	W	A	0.0000
26	D	A	-2.3748
27	A	A	-0.8408
28	S	A	-0.4317
29	S	A	-0.2258
30	S	A	-0.2054
31	S	A	-0.3836
32	V	A	0.0000
33	S	A	-0.0324
34	Y	A	0.2606
35	Y	A	0.0000
36	R	A	-0.4730
37	I	A	0.0000
38	T	A	-0.5543
39	Y	A	-0.2728
40	G	A	0.0000
41	E	A	-1.3526
42	T	A	-1.2746
43	G	A	-1.3407
44	G	A	-1.2258
45	N	A	-1.6403
46	S	A	-0.7816
47	P	A	-0.2362
48	V	A	0.5021
49	Q	A	-0.7741
50	E	A	-1.6165
51	F	A	-0.6210
52	T	A	-0.3146
53	V	A	0.0000
54	P	A	0.2012
55	S	A	0.4403
56	Y	A	1.2012
57	S	A	0.3350
58	S	A	-0.2575
59	T	A	-0.0021
60	A	A	0.0000
61	T	A	0.2272
62	I	A	0.0000
63	S	A	-0.4684
64	G	A	-0.6768
65	L	A	0.0000
66	S	A	-0.8277
67	P	A	-1.0092
68	G	A	-1.1275
69	V	A	-0.9861
70	D	A	-1.8012
71	Y	A	0.0000
72	T	A	-0.7685
73	I	A	0.0000
74	T	A	-0.4706
75	V	A	0.0000
76	Y	A	0.5074
77	A	A	0.0000
78	Y	A	0.5659
79	W	A	0.2214
80	E	A	-0.2191
81	F	A	1.0510
82	E	A	-0.4945
83	Y	A	1.0449
84	G	A	0.5728
85	Y	A	1.6287
86	W	A	1.3752
87	S	A	1.2429
88	Y	A	1.4205
89	S	A	1.0933
90	P	A	0.3277
91	S	A	-0.2333
92	S	A	-0.4424
93	I	A	-0.6868
94	N	A	-1.6485
95	Y	A	-1.3722
96	R	A	-2.3425
97	T	A	-1.2082