Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLISWDAPAVTVDHYVITYGETGAYWSYQEFTVPGSKSTATISGLSPGVDYTITVYANPYSDAPIYYSYHSPISINYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -2.5826
• Maximal score value: 2.5537
• Average score: -0.2446
• Total score value: -23.2343

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	1.8144
2	S	A	0.7585
3	S	A	0.5678
4	V	A	0.3931
5	P	A	0.0000
6	T	A	-1.5531
7	K	A	-2.5826
8	L	A	0.0000
9	E	A	-1.7248
10	V	A	-0.0212
11	V	A	1.7375
12	A	A	0.7161
13	A	A	0.5362
14	T	A	-0.0765
15	P	A	-0.5476
16	T	A	0.0401
17	S	A	0.0000
18	L	A	1.1101
19	I	A	0.0000
20	S	A	-1.0256
21	W	A	0.0000
22	D	A	-2.4338
23	A	A	-1.1134
24	P	A	0.1071
25	A	A	0.5458
26	V	A	0.6964
27	T	A	0.0323
28	V	A	-0.3488
29	D	A	-1.1261
30	H	A	-0.8905
31	Y	A	0.0000
32	V	A	0.0000
33	I	A	0.0000
34	T	A	-0.8152
35	Y	A	0.0000
36	G	A	0.0000
37	E	A	-1.1352
38	T	A	-1.1109
39	G	A	-0.3831
40	A	A	0.4634
41	Y	A	1.7340
42	W	A	1.6315
43	S	A	0.3855
44	Y	A	0.0116
45	Q	A	-1.4531
46	E	A	-1.9427
47	F	A	-0.6174
48	T	A	-0.2447
49	V	A	0.0000
50	P	A	-1.1405
51	G	A	-1.3074
52	S	A	-1.3276
53	K	A	-2.1210
54	S	A	-1.3738
55	T	A	-0.8954
56	A	A	0.0000
57	T	A	0.3844
58	I	A	0.0000
59	S	A	-0.4538
60	G	A	-0.7155
61	L	A	0.0000
62	S	A	-0.9177
63	P	A	-1.0162
64	G	A	-1.1755
65	V	A	-1.2001
66	D	A	-2.5177
67	Y	A	0.0000
68	T	A	-1.0191
69	I	A	0.0000
70	T	A	-0.1933
71	V	A	0.0000
72	Y	A	0.4164
73	A	A	0.0000
74	N	A	0.0000
75	P	A	-0.0184
76	Y	A	0.4477
77	S	A	-0.6247
78	D	A	-1.3481
79	A	A	0.3134
80	P	A	0.9835
81	I	A	2.1548
82	Y	A	2.5537
83	Y	A	2.2612
84	S	A	1.3199
85	Y	A	1.2269
86	H	A	0.0352
87	S	A	-0.1596
88	P	A	0.0474
89	I	A	0.0737
90	S	A	-0.4571
91	I	A	-0.7516
92	N	A	-1.6736
93	Y	A	-1.5137
94	R	A	-2.5769
95	T	A	-1.0893