Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDFYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYVSYPEYYFPSPISIYRT
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -2.3936
• Maximal score value: 2.8144
• Average score: -0.2247
• Total score value: -20.6684

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	1.7572
2	S	A	0.7604
3	S	A	0.9920
4	V	A	0.5443
5	P	A	0.0000
6	T	A	-1.2635
7	K	A	-2.3936
8	L	A	-1.1602
9	E	A	-1.5354
10	V	A	0.0370
11	V	A	1.5483
12	A	A	0.8889
13	A	A	0.5067
14	T	A	-0.3547
15	P	A	-0.8896
16	T	A	-0.9945
17	S	A	-0.5550
18	L	A	0.0000
19	L	A	0.7257
20	I	A	0.0000
21	S	A	-0.8619
22	W	A	0.0000
23	D	A	-2.2733
24	A	A	-1.1006
25	P	A	0.0253
26	A	A	0.3409
27	V	A	0.4897
28	T	A	-0.0933
29	V	A	0.0000
30	D	A	-0.9721
31	F	A	-0.2773
32	Y	A	0.0000
33	V	A	0.1421
34	I	A	0.0000
35	T	A	-0.1874
36	Y	A	0.0527
37	G	A	0.0000
38	E	A	-1.5756
39	T	A	-1.3814
40	G	A	-1.2952
41	G	A	-1.4084
42	N	A	-1.5145
43	S	A	-0.8069
44	P	A	-0.2942
45	V	A	0.4882
46	Q	A	-0.7928
47	E	A	-1.4846
48	F	A	-0.5044
49	T	A	0.0334
50	V	A	0.0000
51	P	A	-0.8550
52	G	A	-0.9590
53	S	A	-1.2866
54	K	A	-1.9834
55	S	A	-1.2733
56	T	A	-0.7143
57	A	A	0.0000
58	T	A	0.2321
59	I	A	0.0000
60	S	A	-0.6750
61	G	A	-1.0449
62	L	A	0.0000
63	K	A	-2.2287
64	P	A	-1.4266
65	G	A	-1.1109
66	V	A	-1.4214
67	D	A	-2.3777
68	Y	A	0.0000
69	T	A	-0.3232
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	1.0284
74	A	A	0.0000
75	Y	A	0.9542
76	V	A	0.9048
77	S	A	0.4541
78	Y	A	0.6922
79	P	A	-0.3906
80	E	A	-0.7045
81	Y	A	1.6258
82	Y	A	2.5898
83	F	A	2.8144
84	P	A	1.6442
85	S	A	0.0000
86	P	A	1.1793
87	I	A	1.6267
88	S	A	0.6870
89	I	A	1.2985
90	Y	A	-0.1482
91	R	A	-1.7084
92	T	A	-1.1306