Project name: query_structure

Chain sequence(s)	A: MAASSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGAYVSGPQEFTVPGSKSTATISGLKPGVDYTITVYAYEFYSGEYSHFSPISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.5242
• Maximal score value: 2.0412
• Average score: -0.3723
• Total score value: -36.1109

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	1.0668
2	A	A	0.5074
3	A	A	0.4162
4	S	A	0.2131
5	S	A	0.1541
6	V	A	0.1847
7	P	A	0.0000
8	T	A	-1.4262
9	K	A	-2.5242
10	L	A	0.0000
11	E	A	-1.8520
12	V	A	0.1282
13	V	A	1.5306
14	A	A	0.8789
15	A	A	0.2909
16	T	A	-0.6196
17	P	A	-1.2150
18	T	A	-1.0561
19	S	A	-0.5716
20	L	A	0.0000
21	L	A	0.6943
22	I	A	0.0000
23	S	A	-0.8660
24	W	A	0.0000
25	D	A	-2.2539
26	A	A	-1.0073
27	P	A	-0.0415
28	A	A	0.1557
29	V	A	0.5303
30	T	A	0.4012
31	V	A	0.0419
32	D	A	-0.5213
33	H	A	-0.6994
34	Y	A	0.0000
35	V	A	-0.1087
36	I	A	0.0000
37	T	A	-1.0776
38	Y	A	-1.0033
39	G	A	-0.9182
40	E	A	-1.0728
41	T	A	-0.8331
42	G	A	-0.0868
43	A	A	0.6438
44	Y	A	1.7538
45	V	A	2.0412
46	S	A	0.4738
47	G	A	-0.4597
48	P	A	-1.1776
49	Q	A	-2.2196
50	E	A	-2.1748
51	F	A	-0.6438
52	T	A	-0.1656
53	V	A	0.0000
54	P	A	-1.1031
55	G	A	-1.2721
56	S	A	-1.3731
57	K	A	-2.0751
58	S	A	-1.3634
59	T	A	-0.7159
60	A	A	0.0000
61	T	A	0.2708
62	I	A	0.0000
63	S	A	-0.6716
64	G	A	-1.0487
65	L	A	0.0000
66	K	A	-2.3967
67	P	A	-1.7384
68	G	A	-1.4639
69	V	A	-1.3695
70	D	A	-1.7898
71	Y	A	0.0000
72	T	A	-0.8929
73	I	A	0.0000
74	T	A	-0.2152
75	V	A	0.0000
76	Y	A	0.1516
77	A	A	0.0000
78	Y	A	0.3100
79	E	A	0.7938
80	F	A	1.8879
81	Y	A	1.5733
82	S	A	0.2411
83	G	A	-0.3295
84	E	A	-0.6228
85	Y	A	0.9982
86	S	A	0.2241
87	H	A	-0.3666
88	F	A	0.0526
89	S	A	-0.0965
90	P	A	0.1284
91	I	A	0.2657
92	S	A	-0.2469
93	I	A	-0.4225
94	N	A	-1.6167
95	Y	A	-1.3578
96	R	A	-2.4534
97	T	A	-1.5175