Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPTMVTQYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTWRWRYSKPISINYRT
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.5748
• Maximal score value: 1.6774
• Average score: -0.6582
• Total score value: -59.8982

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	1.6333
2	S	A	0.1001
3	D	A	-0.4749
4	V	A	-1.1052
5	P	A	0.0000
6	R	A	-3.5378
7	D	A	-3.5748
8	L	A	0.0000
9	E	A	-2.1810
10	V	A	0.0834
11	V	A	1.5299
12	A	A	0.8861
13	A	A	0.2896
14	T	A	-0.5307
15	P	A	-1.1290
16	T	A	-1.0032
17	S	A	-0.5354
18	L	A	0.0000
19	L	A	0.7225
20	I	A	0.0000
21	S	A	-1.1955
22	W	A	0.0000
23	D	A	-3.4126
24	A	A	-1.6021
25	P	A	-0.3661
26	T	A	0.5232
27	M	A	1.2342
28	V	A	1.6774
29	T	A	0.1336
30	Q	A	-0.4571
31	Y	A	-0.3693
32	Y	A	0.0000
33	R	A	-0.3522
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2910
37	G	A	0.0000
38	E	A	-1.7069
39	T	A	-1.4201
40	G	A	-1.3195
41	G	A	-1.4828
42	N	A	-1.5523
43	S	A	-0.8703
44	P	A	-0.3180
45	V	A	0.4455
46	Q	A	-0.8271
47	E	A	-1.5906
48	F	A	-0.6179
49	T	A	-0.2781
50	V	A	0.0000
51	P	A	-1.0919
52	G	A	-0.9351
53	S	A	-1.1072
54	K	A	-2.0894
55	S	A	-1.4468
56	T	A	-0.7884
57	A	A	0.0000
58	T	A	0.2297
59	I	A	0.0000
60	S	A	-0.6598
61	G	A	-1.0290
62	L	A	0.0000
63	K	A	-2.4347
64	P	A	-1.7307
65	G	A	-1.5549
66	V	A	-1.6360
67	D	A	-2.5594
68	Y	A	0.0000
69	T	A	-0.8869
70	I	A	0.0000
71	T	A	-0.1268
72	V	A	0.0000
73	Y	A	-0.2652
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0000
77	W	A	0.3870
78	R	A	-1.2183
79	W	A	-0.0845
80	R	A	-1.4055
81	Y	A	-0.2706
82	S	A	0.0000
83	K	A	-1.6952
84	P	A	-0.8254
85	I	A	-0.6346
86	S	A	-0.6680
87	I	A	-0.7206
88	N	A	-1.8338
89	Y	A	-1.6197
90	R	A	-2.7329
91	T	A	-1.6209