Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRVRDLLMSKPISINYRT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.3465
• Maximal score value: 1.6164
• Average score: -0.7539
• Total score value: -70.8658

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	1.6164
2	S	A	0.0606
3	D	A	-0.3248
4	V	A	-0.7706
5	P	A	0.0000
6	R	A	-3.0740
7	D	A	-3.3465
8	L	A	0.0000
9	E	A	-2.0899
10	V	A	0.1167
11	V	A	1.5459
12	A	A	0.9018
13	A	A	0.3192
14	T	A	-0.5249
15	P	A	-1.1225
16	T	A	-1.0018
17	S	A	-0.5328
18	L	A	0.0000
19	L	A	0.7541
20	I	A	0.0000
21	S	A	-1.1190
22	W	A	0.0000
23	D	A	-3.1835
24	A	A	-1.6480
25	P	A	0.0000
26	A	A	0.2833
27	V	A	0.3866
28	T	A	-0.2838
29	V	A	-0.5638
30	R	A	-1.6941
31	Y	A	-0.9149
32	Y	A	0.0000
33	R	A	-1.0586
34	I	A	0.0000
35	T	A	-0.7372
36	Y	A	-0.4036
37	G	A	0.0000
38	E	A	-1.8096
39	T	A	-1.4830
40	G	A	-1.3486
41	G	A	-1.5174
42	N	A	-1.5598
43	S	A	-0.9322
44	P	A	-0.4153
45	V	A	0.2723
46	Q	A	-1.1994
47	E	A	-1.9156
48	F	A	-0.8747
49	T	A	-0.4710
50	V	A	0.0000
51	P	A	-1.1376
52	G	A	-1.3536
53	S	A	-1.3267
54	K	A	-2.1567
55	S	A	-1.3850
56	T	A	-0.7620
57	A	A	0.0000
58	T	A	0.2391
59	I	A	0.0000
60	S	A	-0.6587
61	G	A	-1.0272
62	L	A	0.0000
63	K	A	-2.4616
64	P	A	-1.7537
65	G	A	-1.6006
66	V	A	-1.7396
67	D	A	-2.7772
68	Y	A	0.0000
69	T	A	-0.9237
70	I	A	0.0000
71	T	A	-0.5899
72	V	A	0.0000
73	Y	A	-0.1314
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0321
77	G	A	-0.8346
78	R	A	-2.0385
79	V	A	-0.4497
80	R	A	-2.0855
81	D	A	-1.8612
82	L	A	0.0424
83	L	A	0.9009
84	M	A	1.1251
85	S	A	0.0000
86	K	A	-1.3981
87	P	A	-0.9007
88	I	A	-0.6090
89	S	A	-0.8397
90	I	A	-0.7439
91	N	A	-1.8708
92	Y	A	-1.6538
93	R	A	-2.8160
94	T	A	-1.6547