Project name: query_structure

Chain sequence(s)	A: MASTSGVSDVPRDLEVVAATPTSLLISWDAPAVTVNNYRITYQPLLQGSSIQHFDVPGSKSTATISGLKPGVGYQITVYASTYTHSKAYYSLPISIYYRTEGSGS
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.3641
• Maximal score value: 1.7761
• Average score: -0.353
• Total score value: -37.0641

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	1.0293
2	A	A	0.4110
3	S	A	-0.1362
4	T	A	-0.0731
5	S	A	-0.1601
6	G	A	0.1205
7	V	A	1.4002
8	S	A	0.4208
9	D	A	0.4477
10	V	A	0.2932
11	P	A	0.0000
12	R	A	-3.0764
13	D	A	-3.3641
14	L	A	0.0000
15	E	A	-1.8060
16	V	A	0.3957
17	V	A	1.5369
18	A	A	0.8863
19	A	A	0.0036
20	T	A	-0.7722
21	P	A	-1.8056
22	T	A	-1.2620
23	S	A	-0.6932
24	L	A	0.0000
25	L	A	0.7370
26	I	A	0.0000
27	S	A	-1.1284
28	W	A	0.0000
29	D	A	-3.2079
30	A	A	-1.6528
31	P	A	-0.4339
32	A	A	0.3199
33	V	A	0.6577
34	T	A	0.0214
35	V	A	-0.2182
36	N	A	-0.7676
37	N	A	-1.2835
38	Y	A	0.0000
39	R	A	-1.1321
40	I	A	0.0000
41	T	A	0.0000
42	Y	A	0.1860
43	Q	A	0.2143
44	P	A	0.1336
45	L	A	1.2573
46	L	A	1.2707
47	Q	A	-0.4756
48	G	A	-0.2855
49	S	A	-0.1619
50	S	A	-0.0433
51	I	A	0.7891
52	Q	A	-0.3413
53	H	A	-1.0341
54	F	A	-0.8788
55	D	A	-1.6477
56	V	A	0.0000
57	P	A	-1.5099
58	G	A	-1.5033
59	S	A	-1.3101
60	K	A	-2.0576
61	S	A	-1.4586
62	T	A	-0.7627
63	A	A	0.0000
64	T	A	0.2338
65	I	A	0.0000
66	S	A	-0.6522
67	G	A	-1.0039
68	L	A	0.0000
69	K	A	-2.4589
70	P	A	-2.1356
71	G	A	-1.9326
72	V	A	0.0000
73	G	A	0.0000
74	Y	A	0.0000
75	Q	A	0.6459
76	I	A	0.0000
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	0.5002
80	A	A	0.0000
81	S	A	0.0000
82	T	A	0.3565
83	Y	A	0.5825
84	T	A	-0.2456
85	H	A	-1.1777
86	S	A	-1.0247
87	K	A	-1.3703
88	A	A	-0.0591
89	Y	A	0.9863
90	Y	A	1.2785
91	S	A	0.0000
92	L	A	1.7761
93	P	A	0.7397
94	I	A	0.1571
95	S	A	0.0705
96	I	A	0.4461
97	Y	A	1.0750
98	Y	A	-0.0724
99	R	A	-1.9618
100	T	A	0.0000
101	E	A	-2.8116
102	G	A	-2.0160
103	S	A	-1.3969
104	G	A	-1.1488
105	S	A	-0.5327