Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVSYYVITYGETGGHYWHWQTFTVPGSKSTATISGLKPGVDYTITVYAKSYMYGPPSYKSSPISINYRT
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -2.4911
• Maximal score value: 1.7694
• Average score: -0.2769
• Total score value: -26.5827

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	1.7694
2	S	A	0.7435
3	S	A	0.3851
4	V	A	0.0134
5	P	A	0.0000
6	T	A	-1.3403
7	K	A	-2.3452
8	L	A	0.0000
9	E	A	-1.8180
10	V	A	0.0920
11	V	A	1.5226
12	A	A	0.8824
13	A	A	0.2929
14	T	A	-0.5286
15	P	A	-1.1222
16	T	A	-0.9941
17	S	A	-0.5323
18	L	A	0.0000
19	L	A	0.7211
20	I	A	0.0000
21	S	A	-0.7810
22	W	A	0.0000
23	D	A	-1.7463
24	A	A	-0.8176
25	P	A	0.1978
26	A	A	0.5083
27	V	A	0.6568
28	T	A	0.3932
29	V	A	0.3534
30	S	A	0.4143
31	Y	A	0.4443
32	Y	A	0.0000
33	V	A	0.1797
34	I	A	0.0000
35	T	A	-0.0284
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4524
39	T	A	-1.0188
40	G	A	-0.7924
41	G	A	-0.7292
42	H	A	-0.4611
43	Y	A	0.8567
44	W	A	0.8957
45	H	A	-0.5215
46	W	A	-0.2551
47	Q	A	-0.7558
48	T	A	-0.3553
49	F	A	0.2533
50	T	A	0.3513
51	V	A	0.0000
52	P	A	-0.4953
53	G	A	-0.4949
54	S	A	-0.9894
55	K	A	-1.8784
56	S	A	-1.1376
57	T	A	-0.6582
58	A	A	0.0000
59	T	A	0.2295
60	I	A	0.0000
61	S	A	-0.6579
62	G	A	-1.0288
63	L	A	0.0000
64	K	A	-2.3383
65	P	A	-1.6466
66	G	A	-1.4343
67	V	A	-1.3396
68	D	A	-1.9871
69	Y	A	0.0000
70	T	A	-0.8982
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	-0.1507
75	A	A	0.0000
76	K	A	0.0238
77	S	A	0.0000
78	Y	A	1.7662
79	M	A	1.7273
80	Y	A	1.7671
81	G	A	0.6952
82	P	A	0.2302
83	P	A	0.0237
84	S	A	0.4196
85	Y	A	0.7112
86	K	A	-1.0734
87	S	A	-0.5581
88	S	A	-0.4135
89	P	A	-0.2902
90	I	A	0.0245
91	S	A	-0.3960
92	I	A	-0.7338
93	N	A	-1.7130
94	Y	A	-1.4261
95	R	A	-2.4911
96	T	A	-1.5021