Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVLYYHITYGETGSYGGVQEFTVPGSKSTATISGLKPGVDYTITVYAYFGYYQPWSERYSSPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -2.5595
• Maximal score value: 1.7815
• Average score: -0.3492
• Total score value: -33.5196

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	1.7815
2	S	A	0.7842
3	S	A	0.6427
4	V	A	0.4740
5	P	A	0.0000
6	T	A	-1.5529
7	K	A	-2.4257
8	L	A	0.0000
9	E	A	-1.1949
10	V	A	0.4642
11	V	A	1.7355
12	A	A	0.9918
13	A	A	0.2980
14	T	A	-0.5241
15	P	A	-1.1187
16	T	A	-0.9998
17	S	A	-0.5355
18	L	A	0.0000
19	L	A	0.8565
20	I	A	0.0000
21	S	A	-0.6967
22	W	A	0.0000
23	D	A	-2.5594
24	A	A	-1.2257
25	P	A	-0.0131
26	A	A	0.4149
27	V	A	0.8280
28	T	A	0.4571
29	V	A	0.5963
30	L	A	1.0013
31	Y	A	0.6139
32	Y	A	0.0000
33	H	A	-0.0834
34	I	A	0.0000
35	T	A	-0.6181
36	Y	A	0.0000
37	G	A	-0.5386
38	E	A	-1.3376
39	T	A	-0.9389
40	G	A	-0.5666
41	S	A	0.0287
42	Y	A	1.0842
43	G	A	0.2461
44	G	A	-0.0723
45	V	A	0.4998
46	Q	A	-1.2586
47	E	A	-1.7722
48	F	A	-0.6852
49	T	A	-0.1803
50	V	A	0.0000
51	P	A	-0.3682
52	G	A	-0.1686
53	S	A	-0.7380
54	K	A	-1.6839
55	S	A	-1.2583
56	T	A	-0.6002
57	A	A	0.0000
58	T	A	0.2368
59	I	A	0.0000
60	S	A	-0.6613
61	G	A	-1.0318
62	L	A	0.0000
63	K	A	-2.3795
64	P	A	-1.6406
65	G	A	-1.4356
66	V	A	-1.4405
67	D	A	-2.1063
68	Y	A	0.0000
69	T	A	-0.8773
70	I	A	0.0000
71	T	A	-0.1451
72	V	A	0.0000
73	Y	A	0.6728
74	A	A	0.0000
75	Y	A	0.2760
76	F	A	0.0000
77	G	A	-0.2345
78	Y	A	0.3253
79	Y	A	1.0558
80	Q	A	-0.2415
81	P	A	-0.2147
82	W	A	0.2214
83	S	A	-0.8415
84	E	A	-1.9162
85	R	A	-1.8209
86	Y	A	0.2119
87	S	A	0.0000
88	S	A	0.0841
89	P	A	0.2680
90	I	A	0.1138
91	S	A	-0.2722
92	I	A	-0.5936
93	N	A	-1.7107
94	Y	A	-1.4421
95	R	A	-2.5595
96	T	A	-1.5033