Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAGHQDYGVSVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTYYMGPDVYGRSEYPISINYRT
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -3.0796
• Maximal score value: 1.7504
• Average score: -0.6352
• Total score value: -64.1545

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	1.1890
2	S	A	0.1046
3	D	A	-0.7339
4	V	A	-0.4471
5	P	A	0.0000
6	R	A	-2.6457
7	D	A	-3.0796
8	L	A	0.0000
9	E	A	-2.0443
10	V	A	0.1006
11	V	A	1.5442
12	A	A	0.9042
13	A	A	0.2963
14	T	A	-0.3430
15	P	A	-1.1267
16	T	A	-1.0027
17	S	A	-0.5277
18	L	A	0.0000
19	L	A	0.7589
20	I	A	0.0000
21	S	A	-1.0276
22	W	A	0.0000
23	D	A	-2.8843
24	A	A	-1.9004
25	G	A	-1.6368
26	H	A	-1.6033
27	Q	A	-1.5802
28	D	A	-0.7142
29	Y	A	0.6378
30	G	A	0.1300
31	V	A	-0.2647
32	S	A	-0.8533
33	V	A	-1.3612
34	R	A	-2.0594
35	Y	A	-1.0482
36	Y	A	0.0000
37	R	A	-0.7479
38	I	A	0.0000
39	T	A	-0.6280
40	Y	A	-0.4356
41	G	A	0.0000
42	E	A	-1.7080
43	T	A	-1.3499
44	G	A	-1.2823
45	G	A	-1.4695
46	N	A	-1.5709
47	S	A	-0.9319
48	P	A	-0.4270
49	V	A	0.2541
50	Q	A	-1.2152
51	E	A	-1.8041
52	F	A	-0.6953
53	T	A	-0.2038
54	V	A	-0.4999
55	P	A	-1.0282
56	G	A	-1.3271
57	S	A	-1.2759
58	K	A	-1.9355
59	S	A	-1.2294
60	T	A	-0.6464
61	A	A	0.0000
62	T	A	0.2602
63	I	A	0.0000
64	S	A	-0.6578
65	G	A	-1.0301
66	L	A	0.0000
67	K	A	-2.4070
68	P	A	-1.6975
69	G	A	-1.5080
70	V	A	-1.5362
71	D	A	-2.3101
72	Y	A	0.0000
73	T	A	-0.8365
74	I	A	0.0000
75	T	A	0.0000
76	V	A	0.0000
77	Y	A	0.0395
78	A	A	0.0000
79	V	A	0.0000
80	T	A	0.0000
81	Y	A	0.0564
82	Y	A	1.3867
83	M	A	1.7212
84	G	A	0.0000
85	P	A	-0.2039
86	D	A	-0.6631
87	V	A	1.4720
88	Y	A	1.7504
89	G	A	0.2394
90	R	A	-1.4774
91	S	A	-1.0058
92	E	A	-0.9630
93	Y	A	-0.1573
94	P	A	-0.1925
95	I	A	-0.1117
96	S	A	-0.6532
97	I	A	-0.7417
98	N	A	-1.7880
99	Y	A	-1.5694
100	R	A	-2.6320
101	T	A	-1.5617