Project name: query_structure

Chain sequence(s)	A: GSVSSVPTKLEVVAATPTSLLISWDAPAVTVDFYVITYGETGGYSYPWQEFEVPGSKSTATISGLKPGVDYTITVYADYGQYFYSPISINYRT
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -2.6002
• Maximal score value: 2.6267
• Average score: -0.3603
• Total score value: -33.5047

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	-0.1189
2	S	A	0.3560
3	V	A	1.5997
4	S	A	0.7370
5	S	A	1.1187
6	V	A	0.4293
7	P	A	0.0000
8	T	A	-1.5165
9	K	A	-2.5330
10	L	A	0.0000
11	E	A	-1.8767
12	V	A	0.1334
13	V	A	1.5608
14	A	A	0.9124
15	A	A	0.3384
16	T	A	-0.3490
17	P	A	-1.1629
18	T	A	-1.0398
19	S	A	-0.5362
20	L	A	0.0000
21	L	A	0.7708
22	I	A	0.0000
23	S	A	-0.9128
24	W	A	0.0000
25	D	A	-2.4074
26	A	A	-1.1173
27	P	A	0.1418
28	A	A	0.5545
29	V	A	0.8564
30	T	A	0.0018
31	V	A	-0.3881
32	D	A	-1.3787
33	F	A	-1.1207
34	Y	A	0.0000
35	V	A	0.0000
36	I	A	0.0000
37	T	A	-0.9763
38	Y	A	-0.7183
39	G	A	0.0000
40	E	A	-1.4058
41	T	A	-1.1130
42	G	A	-0.6015
43	G	A	0.0681
44	Y	A	1.3109
45	S	A	0.7807
46	Y	A	1.3758
47	P	A	0.5387
48	W	A	0.0171
49	Q	A	-1.3747
50	E	A	-2.2584
51	F	A	-1.3687
52	E	A	-1.8846
53	V	A	0.0000
54	P	A	-1.4625
55	G	A	-1.3470
56	S	A	-1.3142
57	K	A	-1.9061
58	S	A	-1.2971
59	T	A	-0.6970
60	A	A	0.0000
61	T	A	0.2489
62	I	A	0.0000
63	S	A	-0.6525
64	G	A	-1.0367
65	L	A	0.0000
66	K	A	-2.4874
67	P	A	-1.7998
68	G	A	-1.5575
69	V	A	-1.6294
70	D	A	-2.2029
71	Y	A	0.0000
72	T	A	-0.9575
73	I	A	0.0000
74	T	A	0.0000
75	V	A	0.0000
76	Y	A	0.6762
77	A	A	0.0000
78	D	A	0.3213
79	Y	A	0.9482
80	G	A	-0.2250
81	Q	A	-0.1115
82	Y	A	1.9108
83	F	A	2.6267
84	Y	A	1.7528
85	S	A	1.1600
86	P	A	0.5464
87	I	A	0.2329
88	S	A	-0.4572
89	I	A	-0.6996
90	N	A	-1.7416
91	Y	A	-1.4920
92	R	A	-2.6002
93	T	A	-1.6972