Project name: query_structure

Chain sequence(s)	A: MAVSDVPRKLEVVAATPTSLLISWDYQYYYYAYYRITYGETGGNSPVQEFTVPYGSYTATISGLKPGVDYTITVYAVTYWSTSFSISINYRT
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.0242
• Maximal score value: 2.4357
• Average score: -0.2804
• Total score value: -25.7966

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	M	A	1.3035
2	A	A	0.8901
3	V	A	0.9516
4	S	A	0.1869
5	D	A	-0.1354
6	V	A	-0.4106
7	P	A	0.0000
8	R	A	-2.7293
9	K	A	-3.0242
10	L	A	0.0000
11	E	A	-1.9957
12	V	A	0.0943
13	V	A	1.5427
14	A	A	0.9082
15	A	A	0.3395
16	T	A	-0.3316
17	P	A	-1.1131
18	T	A	-0.9931
19	S	A	-0.5161
20	L	A	0.0000
21	L	A	0.7751
22	I	A	0.0000
23	S	A	-0.6632
24	W	A	0.0000
25	D	A	-2.6418
26	Y	A	0.0000
27	Q	A	-1.1255
28	Y	A	0.5979
29	Y	A	1.7509
30	Y	A	2.1651
31	Y	A	2.4357
32	A	A	0.0000
33	Y	A	1.3302
34	Y	A	0.0000
35	R	A	-0.4814
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.5445
39	G	A	-0.9189
40	E	A	-1.7774
41	T	A	-1.3550
42	G	A	-1.2754
43	G	A	-1.5022
44	N	A	-1.6172
45	S	A	-1.0133
46	P	A	-0.5751
47	V	A	-0.0679
48	Q	A	-1.3818
49	E	A	-1.9213
50	F	A	-0.7846
51	T	A	-0.1641
52	V	A	0.0000
53	P	A	0.4180
54	Y	A	1.3511
55	G	A	0.4229
56	S	A	0.0818
57	Y	A	0.0529
58	T	A	0.0530
59	A	A	0.0000
60	T	A	0.2466
61	I	A	0.0000
62	S	A	-0.6586
63	G	A	-1.0282
64	L	A	0.0000
65	K	A	-2.3832
66	P	A	-1.6562
67	G	A	-1.4493
68	V	A	-1.4555
69	D	A	-2.1270
70	Y	A	0.0000
71	T	A	-0.8587
72	I	A	0.0000
73	T	A	-0.3584
74	V	A	0.0000
75	Y	A	0.3642
76	A	A	0.0000
77	V	A	1.1608
78	T	A	0.0000
79	Y	A	2.3070
80	W	A	1.7517
81	S	A	0.8555
82	T	A	0.6120
83	S	A	0.3969
84	F	A	0.4521
85	S	A	0.1704
86	I	A	-0.0692
87	S	A	-0.6471
88	I	A	-0.7280
89	N	A	-1.7487
90	Y	A	-1.4946
91	R	A	-2.5404
92	T	A	-1.5024