Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAMKNDEDVQYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAGVSSYYYYWGSSPISINYRT
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -3.6969
• Maximal score value: 3.0353
• Average score: -0.658
• Total score value: -63.1664

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	1.3909
2	S	A	-0.2404
3	D	A	-1.3980
4	V	A	-1.1818
5	P	A	0.0000
6	R	A	-3.6239
7	D	A	-3.6162
8	L	A	0.0000
9	E	A	-2.2052
10	V	A	0.0781
11	V	A	1.5216
12	A	A	0.8862
13	A	A	0.2990
14	T	A	-0.5371
15	P	A	-1.1441
16	T	A	-1.0009
17	S	A	-0.5383
18	L	A	0.0000
19	L	A	0.7275
20	I	A	0.0000
21	S	A	-1.0297
22	W	A	0.0000
23	D	A	-3.4540
24	A	A	-2.3195
25	M	A	-2.6953
26	K	A	-3.1854
27	N	A	-3.1830
28	D	A	-3.2679
29	E	A	-3.6969
30	D	A	-3.3154
31	V	A	-2.1441
32	Q	A	-1.8605
33	Y	A	-0.5395
34	Y	A	0.0000
35	R	A	-0.3516
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.3108
39	G	A	0.0000
40	E	A	-1.4994
41	T	A	-1.2188
42	G	A	-1.2176
43	G	A	-1.3243
44	N	A	-1.5135
45	S	A	-0.8022
46	P	A	-0.3041
47	V	A	0.4578
48	Q	A	-0.8373
49	E	A	-1.6059
50	F	A	-0.6492
51	T	A	-0.2616
52	V	A	0.0000
53	P	A	-0.5607
54	G	A	-1.2511
55	S	A	-0.9076
56	S	A	-0.5655
57	S	A	-0.6155
58	T	A	-0.3007
59	A	A	0.0000
60	T	A	0.2852
61	I	A	0.0000
62	S	A	-0.6602
63	G	A	-1.0335
64	L	A	0.0000
65	K	A	-2.3670
66	P	A	-1.6600
67	G	A	-1.4426
68	V	A	-1.4300
69	D	A	-2.0612
70	Y	A	0.0000
71	T	A	-0.7242
72	I	A	0.0000
73	T	A	-0.1752
74	V	A	0.0000
75	Y	A	0.3466
76	A	A	0.0000
77	G	A	0.0000
78	V	A	-0.2618
79	S	A	0.1437
80	S	A	0.9780
81	Y	A	2.2670
82	Y	A	2.9838
83	Y	A	3.0353
84	Y	A	2.8836
85	W	A	1.9688
86	G	A	0.3534
87	S	A	-0.2162
88	S	A	-0.3432
89	P	A	-0.3300
90	I	A	-0.3653
91	S	A	-0.5468
92	I	A	-0.7076
93	N	A	-1.7054
94	Y	A	-1.4396
95	R	A	-2.5168
96	T	A	-1.5118