Project name: query_structure

Chain sequence(s)	A: GSVSSVPTKLEVVAATPTSLLISWDAMSDWYYWVDYYRITYGETGGNSPVQEFTVPGSYSTATISGLKPGVDYTITVYASDDVWGDYSPISINYRT
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.5452
• Maximal score value: 1.8642
• Average score: -0.3178
• Total score value: -30.5089

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	G	A	-0.1942
2	S	A	0.3312
3	V	A	1.4581
4	S	A	0.4950
5	S	A	0.1245
6	V	A	0.0311
7	P	A	0.0000
8	T	A	-1.1961
9	K	A	-2.5452
10	L	A	0.0000
11	E	A	-1.4414
12	V	A	0.3577
13	V	A	1.6670
14	A	A	0.9560
15	A	A	0.2960
16	T	A	-0.5329
17	P	A	-1.1387
18	T	A	-1.0013
19	S	A	-0.5345
20	L	A	0.0000
21	L	A	0.8236
22	I	A	0.0000
23	S	A	-0.4839
24	W	A	0.0000
25	D	A	-2.3586
26	A	A	-1.1046
27	M	A	-0.3705
28	S	A	-0.4342
29	D	A	-0.6204
30	W	A	1.2644
31	Y	A	1.8642
32	Y	A	1.7237
33	W	A	1.5500
34	V	A	0.0000
35	D	A	-0.2332
36	Y	A	0.1056
37	Y	A	0.0000
38	R	A	-0.7018
39	I	A	0.0000
40	T	A	0.0000
41	Y	A	-0.1459
42	G	A	0.0000
43	E	A	-1.4882
44	T	A	-1.2154
45	G	A	-1.2116
46	G	A	-1.3644
47	N	A	-1.5138
48	S	A	-0.8040
49	P	A	-0.2322
50	V	A	0.6065
51	Q	A	-0.5221
52	E	A	-1.0774
53	F	A	-0.4020
54	T	A	-0.1700
55	V	A	0.0000
56	P	A	0.1483
57	G	A	0.4599
58	S	A	0.4906
59	Y	A	0.9811
60	S	A	0.0789
61	T	A	0.1741
62	A	A	0.0000
63	T	A	0.2439
64	I	A	0.0000
65	S	A	-0.6598
66	G	A	-1.0343
67	L	A	0.0000
68	K	A	-2.3629
69	P	A	-1.6603
70	G	A	-1.4398
71	V	A	-1.3778
72	D	A	-2.0236
73	Y	A	0.0000
74	T	A	-0.7594
75	I	A	0.0000
76	T	A	-0.1676
77	V	A	0.0000
78	Y	A	-0.3947
79	A	A	0.0000
80	S	A	0.0000
81	D	A	0.0000
82	D	A	-0.7158
83	V	A	1.3781
84	W	A	1.1709
85	G	A	-0.4917
86	D	A	-1.4790
87	Y	A	-0.5361
88	S	A	-0.4680
89	P	A	-0.3984
90	I	A	-0.0298
91	S	A	-0.5263
92	I	A	-0.6079
93	N	A	-1.6559
94	Y	A	-1.4200
95	R	A	-2.5239
96	T	A	-1.5178