Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDAPWAYSQSVAYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYGTPWGEGWYSWSPSSINYRT
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.3314
• Maximal score value: 1.7942
• Average score: -0.2445
• Total score value: -24.9419

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	-0.4202
2	S	A	-0.0647
3	S	A	0.3223
4	V	A	1.1615
5	S	A	0.2173
6	S	A	0.0056
7	V	A	0.0505
8	P	A	0.0000
9	T	A	-0.8069
10	K	A	-2.0959
11	L	A	0.0000
12	E	A	-1.4901
13	V	A	0.2531
14	V	A	1.6235
15	A	A	0.9337
16	A	A	0.2922
17	T	A	-0.1951
18	P	A	-0.7967
19	T	A	-0.5289
20	S	A	-0.3140
21	L	A	0.0000
22	L	A	0.7822
23	I	A	0.0000
24	S	A	-0.4794
25	W	A	0.0000
26	D	A	-1.3746
27	A	A	-0.3522
28	P	A	0.3817
29	W	A	1.2120
30	A	A	0.9420
31	Y	A	0.9907
32	S	A	-0.0063
33	Q	A	-0.7971
34	S	A	-0.3025
35	V	A	0.2885
36	A	A	0.2354
37	Y	A	0.2779
38	Y	A	0.0000
39	R	A	-0.4887
40	I	A	0.0000
41	T	A	0.0000
42	Y	A	-0.2998
43	G	A	-0.6188
44	E	A	-1.3654
45	T	A	-1.2295
46	G	A	-1.2417
47	G	A	-1.4313
48	N	A	-1.5471
49	S	A	-0.8295
50	P	A	-0.2800
51	V	A	0.4959
52	Q	A	-0.7279
53	E	A	-1.5613
54	F	A	-0.5624
55	T	A	-0.1933
56	V	A	0.0640
57	P	A	-0.1880
58	G	A	-0.3001
59	S	A	-0.4653
60	S	A	-0.2848
61	S	A	-0.3789
62	T	A	-0.0952
63	A	A	0.0000
64	T	A	0.2528
65	I	A	0.0000
66	S	A	-0.4716
67	G	A	-0.6848
68	L	A	0.0000
69	S	A	-0.8382
70	P	A	-0.9825
71	G	A	-1.0783
72	V	A	-0.9104
73	D	A	-1.8468
74	Y	A	0.0000
75	T	A	-0.8110
76	I	A	0.0000
77	T	A	-0.4771
78	V	A	0.0000
79	Y	A	0.1800
80	A	A	0.0000
81	Y	A	1.0267
82	Y	A	0.0000
83	G	A	0.2694
84	T	A	0.0000
85	P	A	-0.0924
86	W	A	0.1962
87	G	A	-0.7839
88	E	A	-1.4778
89	G	A	-0.2314
90	W	A	1.3452
91	Y	A	1.7942
92	S	A	1.1914
93	W	A	1.1187
94	S	A	0.0687
95	P	A	-0.0627
96	S	A	0.0000
97	S	A	-0.6828
98	I	A	-0.7383
99	N	A	-1.6987
100	Y	A	-1.4250
101	R	A	-2.3314
102	T	A	-1.1765