Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDFYVITYGETGSGWFPGQTFEVPGSKSTATISGLKPGVDYTITVYTYGYSSLGPGSPISINYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -3.5194
• Maximal score value: 1.9429
• Average score: -0.4828
• Total score value: -44.9023

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	1.6148
2	S	A	0.1643
3	D	A	-0.5753
4	V	A	-0.8494
5	P	A	0.0000
6	R	A	-3.4701
7	D	A	-3.5194
8	L	A	0.0000
9	E	A	-2.1400
10	V	A	0.1315
11	V	A	1.5594
12	A	A	0.9090
13	A	A	0.3322
14	T	A	-0.3376
15	P	A	-1.0722
16	T	A	-0.9642
17	S	A	-0.5202
18	L	A	0.0000
19	L	A	0.7628
20	I	A	0.0000
21	S	A	-1.1855
22	W	A	0.0000
23	D	A	-3.3400
24	A	A	-1.7347
25	P	A	-0.6232
26	A	A	0.1806
27	V	A	0.5735
28	T	A	0.1567
29	V	A	-0.2003
30	D	A	-0.5944
31	F	A	-0.5689
32	Y	A	0.0000
33	V	A	-0.2012
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	-0.5554
38	E	A	-1.5172
39	T	A	-1.1821
40	G	A	-0.6443
41	S	A	-0.1673
42	G	A	0.3159
43	W	A	1.5325
44	F	A	1.9429
45	P	A	0.9462
46	G	A	0.1486
47	Q	A	-0.5269
48	T	A	-0.5961
49	F	A	-0.4794
50	E	A	-1.3791
51	V	A	0.0000
52	P	A	-1.2281
53	G	A	-1.1597
54	S	A	-1.2320
55	K	A	-2.1451
56	S	A	-1.4323
57	T	A	-0.7826
58	A	A	0.0000
59	T	A	0.2455
60	I	A	0.0000
61	S	A	-0.6552
62	G	A	-1.0209
63	L	A	0.0000
64	K	A	-2.4273
65	P	A	-1.6529
66	G	A	-1.4436
67	V	A	-1.6954
68	D	A	-2.7332
69	Y	A	0.0000
70	T	A	-1.2094
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	-0.0421
75	T	A	0.0000
76	Y	A	0.1321
77	G	A	0.3434
78	Y	A	1.1297
79	S	A	0.5935
80	S	A	0.5946
81	L	A	1.3126
82	G	A	0.2666
83	P	A	-0.1954
84	G	A	-0.2320
85	S	A	-0.4610
86	P	A	-0.3496
87	I	A	-0.3527
88	S	A	-0.5742
89	I	A	-0.7555
90	N	A	-1.9104
91	Y	A	-1.6547
92	R	A	-2.7747
93	T	A	-1.7268