Project name: query_structure

Chain sequence(s)	A: MAASSVPTKLEVVAATPTSLLISWDAPAVTVDHYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYEYWEYEYSSYSPISINYRT
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                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.5489
• Maximal score value: 1.5369
• Average score: -0.4092
• Total score value: -39.2847

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	1.0624
2	A	A	0.5097
3	A	A	0.3651
4	S	A	0.1163
5	S	A	0.2833
6	V	A	0.3376
7	P	A	0.0000
8	T	A	-1.2615
9	K	A	-2.3105
10	L	A	-1.4522
11	E	A	-1.7538
12	V	A	0.0917
13	V	A	1.5273
14	A	A	0.8771
15	A	A	0.2960
16	T	A	-0.5404
17	P	A	-1.1571
18	T	A	-1.0228
19	S	A	-0.5474
20	L	A	0.0000
21	L	A	0.7074
22	I	A	0.0000
23	S	A	-0.7314
24	W	A	0.0000
25	D	A	-1.6953
26	A	A	-0.7968
27	P	A	-0.0369
28	A	A	0.1167
29	V	A	0.2571
30	T	A	0.0387
31	V	A	-0.4331
32	D	A	-0.9342
33	H	A	-0.9528
34	Y	A	0.0000
35	V	A	0.0121
36	I	A	0.0000
37	T	A	-0.3738
38	Y	A	-0.2828
39	G	A	0.0000
40	E	A	-1.6569
41	T	A	-1.2974
42	G	A	-1.2485
43	G	A	-1.3606
44	N	A	-1.5226
45	S	A	-0.8210
46	P	A	-0.3031
47	V	A	0.4557
48	Q	A	-0.7903
49	E	A	-1.4381
50	F	A	-0.5178
51	T	A	-0.1418
52	V	A	0.0000
53	P	A	-1.1544
54	G	A	-1.3778
55	S	A	-1.3967
56	K	A	-1.9945
57	S	A	-1.2087
58	T	A	-0.6339
59	A	A	0.0000
60	T	A	0.2804
61	I	A	0.0000
62	S	A	-0.6660
63	G	A	-1.0360
64	L	A	0.0000
65	K	A	-2.4045
66	P	A	-1.6665
67	G	A	-1.4619
68	V	A	-1.5210
69	D	A	-2.1251
70	Y	A	0.0000
71	T	A	-0.7887
72	I	A	0.0000
73	T	A	-0.0562
74	V	A	0.0000
75	Y	A	0.6079
76	A	A	0.0000
77	Y	A	0.7592
78	E	A	0.3825
79	Y	A	1.0938
80	W	A	0.7405
81	E	A	-0.7278
82	Y	A	0.3618
83	E	A	-0.4903
84	Y	A	1.0430
85	S	A	0.6861
86	S	A	0.9438
87	Y	A	1.5369
88	S	A	0.6971
89	P	A	0.5517
90	I	A	0.2554
91	S	A	-0.3391
92	I	A	-0.5457
93	N	A	-1.7502
94	Y	A	-1.4804
95	R	A	-2.5489
96	T	A	-1.5238