Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWVPPWRPVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVNGIGPQLTIPDGISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.7058
• Maximal score value: 1.6716
• Average score: -0.5489
• Total score value: -51.5983

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	1.6716
2	S	A	0.0138
3	D	A	-0.9099
4	V	A	-0.8295
5	P	A	0.0000
6	R	A	-2.3617
7	D	A	-2.7058
8	L	A	0.0000
9	E	A	-1.7789
10	V	A	0.0738
11	V	A	1.5235
12	A	A	0.8782
13	A	A	0.2878
14	T	A	-0.5354
15	P	A	-1.1326
16	T	A	-0.9996
17	S	A	-0.5408
18	L	A	0.0000
19	L	A	0.7112
20	I	A	0.0000
21	S	A	-0.5839
22	W	A	0.0000
23	V	A	-0.3868
24	P	A	-0.5385
25	P	A	0.0614
26	W	A	0.7924
27	R	A	-0.6628
28	P	A	-0.9777
29	V	A	-0.9801
30	R	A	-1.6976
31	Y	A	-0.9299
32	Y	A	0.0000
33	R	A	-0.8801
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3930
37	G	A	0.0000
38	E	A	-1.5025
39	T	A	-1.1988
40	G	A	-1.2098
41	G	A	-1.3226
42	N	A	-1.5146
43	S	A	-0.8551
44	P	A	-0.3978
45	V	A	0.2912
46	Q	A	-1.1911
47	E	A	-1.8539
48	F	A	-0.8058
49	T	A	-0.3176
50	V	A	0.0000
51	P	A	-1.1072
52	G	A	-1.3681
53	S	A	-1.4085
54	K	A	-1.7284
55	S	A	-0.7039
56	T	A	-0.4032
57	A	A	0.0000
58	T	A	0.2294
59	I	A	0.0000
60	S	A	-0.6613
61	G	A	-1.0310
62	L	A	0.0000
63	K	A	-2.3580
64	P	A	-1.6619
65	G	A	-1.4383
66	V	A	-1.4088
67	D	A	-2.0603
68	Y	A	0.0000
69	T	A	-0.7568
70	I	A	0.0000
71	T	A	-0.5678
72	V	A	0.0000
73	Y	A	-0.1097
74	A	A	0.0000
75	V	A	-0.3197
76	N	A	-0.4703
77	G	A	-0.1964
78	I	A	1.1997
79	G	A	0.4698
80	P	A	0.0915
81	Q	A	-0.1625
82	L	A	1.2558
83	T	A	0.8497
84	I	A	1.5791
85	P	A	-0.0638
86	D	A	-1.3288
87	G	A	-0.8192
88	I	A	-0.8335
89	S	A	-0.6844
90	I	A	-0.7256
91	N	A	-1.7273
92	Y	A	-1.4498
93	R	A	-2.5184
94	T	A	-1.5111