Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYAITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVFAYYSYDDIYYAYSPSSINYRT
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.3975
• Maximal score value: 2.1977
• Average score: -0.3065
• Total score value: -29.7337

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	G	A	-0.4098
2	S	A	-0.1645
3	S	A	0.2129
4	V	A	1.3301
5	S	A	0.4509
6	S	A	0.1444
7	V	A	0.4728
8	P	A	-0.5840
9	T	A	-1.3700
10	K	A	-2.2713
11	L	A	-1.4822
12	E	A	-1.5825
13	V	A	0.2704
14	V	A	1.6242
15	A	A	0.9283
16	A	A	0.3020
17	T	A	-0.3865
18	P	A	-0.8089
19	T	A	-0.5311
20	S	A	-0.3160
21	L	A	0.0000
22	L	A	0.7734
23	I	A	0.0000
24	S	A	-0.6315
25	W	A	0.0000
26	D	A	-2.3975
27	A	A	-1.2559
28	S	A	-0.7085
29	S	A	-0.6403
30	S	A	-0.4266
31	S	A	-0.2556
32	V	A	0.0000
33	S	A	0.0739
34	H	A	-0.0716
35	Y	A	0.0000
36	A	A	0.0000
37	I	A	0.0000
38	T	A	-0.5088
39	Y	A	-0.4117
40	G	A	0.0000
41	E	A	-1.3213
42	T	A	-1.1890
43	G	A	-1.2191
44	G	A	-1.3437
45	N	A	-1.5438
46	S	A	-0.9076
47	P	A	-0.4265
48	V	A	0.2617
49	Q	A	-1.1961
50	E	A	-1.7236
51	F	A	-0.6146
52	T	A	-0.1292
53	V	A	0.0032
54	P	A	-0.3537
55	G	A	-0.4052
56	S	A	-0.4427
57	S	A	-0.4666
58	S	A	-0.6457
59	T	A	-0.1974
60	A	A	0.0000
61	T	A	0.2546
62	I	A	0.0000
63	S	A	-0.4735
64	G	A	-0.6855
65	L	A	0.0000
66	S	A	-0.8198
67	P	A	-0.9832
68	G	A	-1.0611
69	V	A	-0.8855
70	D	A	-1.7672
71	Y	A	0.0000
72	T	A	-0.7475
73	I	A	0.0000
74	T	A	-0.1443
75	V	A	0.0000
76	F	A	0.6843
77	A	A	0.0000
78	Y	A	1.4112
79	Y	A	0.0000
80	S	A	0.3906
81	Y	A	0.0725
82	D	A	-1.6828
83	D	A	-1.2779
84	I	A	1.3854
85	Y	A	2.1617
86	Y	A	2.1977
87	A	A	1.6497
88	Y	A	1.6740
89	S	A	0.6719
90	P	A	0.3950
91	S	A	0.0000
92	S	A	-0.5649
93	I	A	-0.5724
94	N	A	-1.7029
95	Y	A	-1.3634
96	R	A	-2.2940
97	T	A	-1.1640