Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDFYYITYGETGSSYWSYQEFTVPGSKSTATISGLKPGVDYTITVYAIDQWQYYYYEMGSPISINYRT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.0567
• Maximal score value: 2.7703
• Average score: -0.332
• Total score value: -31.8675

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	1.6718
2	S	A	0.3618
3	D	A	-0.1430
4	V	A	-0.2982
5	P	A	0.0000
6	R	A	-2.6972
7	D	A	-3.0567
8	L	A	0.0000
9	E	A	-1.9949
10	V	A	0.1123
11	V	A	1.5585
12	A	A	0.9084
13	A	A	0.3199
14	T	A	-0.3340
15	P	A	-1.1138
16	T	A	-0.9960
17	S	A	-0.5212
18	L	A	0.0000
19	L	A	0.7837
20	I	A	0.0000
21	S	A	-0.9374
22	W	A	0.0000
23	D	A	-2.3003
24	A	A	-1.1666
25	P	A	0.0000
26	A	A	0.3414
27	V	A	0.5156
28	T	A	-0.2999
29	V	A	-0.6559
30	D	A	-1.3027
31	F	A	-0.6826
32	Y	A	0.0000
33	Y	A	0.0008
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.7400
37	G	A	0.0000
38	E	A	-1.4997
39	T	A	-1.0380
40	G	A	-0.6781
41	S	A	-0.1458
42	S	A	0.5693
43	Y	A	1.4708
44	W	A	1.5201
45	S	A	0.2736
46	Y	A	-0.2890
47	Q	A	-1.5839
48	E	A	-2.0391
49	F	A	-0.5548
50	T	A	-0.0547
51	V	A	0.0000
52	P	A	-0.9584
53	G	A	-1.1428
54	S	A	-1.2573
55	K	A	-1.9798
56	S	A	-1.1617
57	T	A	-0.6205
58	A	A	0.0000
59	T	A	0.0713
60	I	A	0.0000
61	S	A	-0.6542
62	G	A	-1.0289
63	L	A	0.0000
64	K	A	-2.3840
65	P	A	-1.6610
66	G	A	-1.4544
67	V	A	-1.4563
68	D	A	-2.1069
69	Y	A	0.0000
70	T	A	-0.9854
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	0.2871
75	A	A	0.0000
76	I	A	0.0000
77	D	A	-0.3226
78	Q	A	0.3687
79	W	A	1.6648
80	Q	A	1.2669
81	Y	A	2.2299
82	Y	A	2.7703
83	Y	A	2.5644
84	Y	A	2.0425
85	E	A	0.0840
86	M	A	0.2222
87	G	A	0.0000
88	S	A	-0.3549
89	P	A	-0.1060
90	I	A	-0.1829
91	S	A	-0.6671
92	I	A	-0.7271
93	N	A	-1.7674
94	Y	A	-1.5331
95	R	A	-2.5667
96	T	A	-1.6447