Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVYYHITYGETGGFAGHQEFTVPGSKSTATISGLKPGVDYTITVYAYYQPYVSWAKRYSSPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -2.5517
• Maximal score value: 1.7975
• Average score: -0.4446
• Total score value: -42.6831

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	V	A	1.7975
2	S	A	0.7962
3	S	A	0.6026
4	V	A	0.4932
5	P	A	0.0000
6	T	A	-1.5263
7	K	A	-2.5517
8	L	A	0.0000
9	E	A	-1.9112
10	V	A	0.0805
11	V	A	1.5186
12	A	A	0.8768
13	A	A	0.2901
14	T	A	-0.5388
15	P	A	-1.1367
16	T	A	-1.0056
17	S	A	-0.5459
18	L	A	0.0000
19	L	A	0.7049
20	I	A	0.0000
21	S	A	-0.9432
22	W	A	0.0000
23	D	A	-2.4546
24	A	A	-1.1730
25	P	A	0.0640
26	A	A	0.4906
27	V	A	0.7889
28	T	A	0.3052
29	V	A	0.0000
30	V	A	1.1528
31	Y	A	0.5789
32	Y	A	0.0000
33	H	A	-0.0768
34	I	A	0.0000
35	T	A	-1.3067
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4585
39	T	A	-1.0363
40	G	A	-0.3892
41	G	A	0.0398
42	F	A	1.3985
43	A	A	0.1328
44	G	A	-0.9989
45	H	A	-1.9007
46	Q	A	-2.3535
47	E	A	-2.3603
48	F	A	-0.7321
49	T	A	-0.1728
50	V	A	0.0000
51	P	A	-0.3997
52	G	A	-0.1855
53	S	A	-0.8759
54	K	A	-2.0510
55	S	A	-1.3707
56	T	A	-0.7524
57	A	A	0.0000
58	T	A	0.2241
59	I	A	0.0000
60	S	A	-0.6655
61	G	A	-1.0301
62	L	A	0.0000
63	K	A	-2.3690
64	P	A	-1.6627
65	G	A	-1.4433
66	V	A	-1.4012
67	D	A	-2.0899
68	Y	A	0.0000
69	T	A	-1.1323
70	I	A	0.0000
71	T	A	-0.4207
72	V	A	0.0000
73	Y	A	0.6698
74	A	A	0.0000
75	Y	A	0.2328
76	Y	A	-0.1071
77	Q	A	-0.8866
78	P	A	-0.3798
79	Y	A	0.8114
80	V	A	0.4504
81	S	A	0.2711
82	W	A	0.6946
83	A	A	-0.5310
84	K	A	-1.9757
85	R	A	-1.8811
86	Y	A	-0.0349
87	S	A	0.0000
88	S	A	0.0806
89	P	A	0.3220
90	I	A	0.1341
91	S	A	-0.3523
92	I	A	-0.7366
93	N	A	-1.7517
94	Y	A	-1.4604
95	R	A	-2.5304
96	T	A	-1.6356