Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAGVYDELGHVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTSLWGYYTMWDPISINYRT
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -3.2836
• Maximal score value: 2.2035
• Average score: -0.511
• Total score value: -50.0793

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	1.5020
2	S	A	-0.1934
3	D	A	-1.2410
4	V	A	-0.8698
5	P	A	0.0000
6	R	A	-2.9506
7	D	A	-3.2836
8	L	A	0.0000
9	E	A	-2.1381
10	V	A	0.0377
11	V	A	1.5018
12	A	A	0.8657
13	A	A	0.2790
14	T	A	-0.3565
15	P	A	-1.1403
16	T	A	-1.0049
17	S	A	-0.5477
18	L	A	0.0000
19	L	A	0.6993
20	I	A	0.0000
21	S	A	-1.1178
22	W	A	0.0000
23	D	A	-2.9089
24	A	A	-1.2976
25	G	A	-0.6035
26	V	A	0.7418
27	Y	A	-0.1941
28	D	A	-1.8973
29	E	A	-1.9562
30	L	A	-0.1276
31	G	A	0.0000
32	H	A	-1.4600
33	V	A	0.0000
34	R	A	-1.8604
35	Y	A	-1.0147
36	Y	A	0.0000
37	R	A	-0.8222
38	I	A	0.0000
39	T	A	-0.7109
40	Y	A	-0.4221
41	G	A	0.0000
42	E	A	-1.5579
43	T	A	-1.2349
44	G	A	-1.2217
45	G	A	-1.3341
46	N	A	-1.5200
47	S	A	-0.8626
48	P	A	-0.4025
49	V	A	0.2734
50	Q	A	-1.1937
51	E	A	-1.8647
52	F	A	-0.8334
53	T	A	-0.5389
54	V	A	0.0000
55	P	A	-1.0992
56	G	A	0.0000
57	S	A	-1.3590
58	K	A	-1.8219
59	S	A	-1.3139
60	T	A	-0.7202
61	A	A	0.0000
62	T	A	0.2238
63	I	A	0.0000
64	S	A	-0.6655
65	G	A	-1.0349
66	L	A	0.0000
67	K	A	-2.3737
68	P	A	-1.6643
69	G	A	-1.4475
70	V	A	-1.4398
71	D	A	-2.0869
72	Y	A	0.0000
73	T	A	-0.7721
74	I	A	0.0000
75	T	A	-0.2751
76	V	A	0.0000
77	Y	A	0.2887
78	A	A	0.0000
79	V	A	0.0000
80	T	A	0.0000
81	S	A	0.8149
82	L	A	1.7600
83	W	A	1.9968
84	G	A	1.1572
85	Y	A	2.2035
86	Y	A	2.0603
87	T	A	1.4620
88	M	A	0.8331
89	W	A	0.8949
90	D	A	-0.3620
91	P	A	-0.0378
92	I	A	-0.1460
93	S	A	-0.3946
94	I	A	-0.6944
95	N	A	-1.7203
96	Y	A	-1.4941
97	R	A	-2.5429
98	T	A	-1.5255