Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASYSSVYYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYSYYYYYYSSPISINYRT
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.5544
• Maximal score value: 3.6443
• Average score: -0.1523
• Total score value: -14.0076

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	-0.2012
2	S	A	-0.0844
3	S	A	0.8663
4	V	A	0.3000
5	P	A	0.0000
6	T	A	-1.3440
7	N	A	-2.1055
8	L	A	-1.3855
9	E	A	-1.6686
10	V	A	0.2378
11	V	A	1.6017
12	A	A	0.9358
13	A	A	0.3469
14	T	A	-0.1563
15	P	A	-1.1094
16	T	A	-0.9942
17	S	A	-0.4886
18	L	A	0.0000
19	L	A	0.8411
20	I	A	0.0000
21	S	A	-0.7507
22	W	A	0.0000
23	D	A	-2.1024
24	A	A	-0.7808
25	S	A	0.2084
26	Y	A	1.0204
27	S	A	1.0470
28	S	A	1.2399
29	V	A	1.8222
30	Y	A	2.3013
31	Y	A	0.8137
32	Y	A	0.0000
33	R	A	-0.4304
34	I	A	0.0000
35	T	A	-0.5107
36	Y	A	-0.2903
37	G	A	0.0000
38	E	A	-1.6709
39	T	A	-1.3485
40	G	A	-1.3519
41	G	A	-1.2569
42	N	A	-1.6652
43	S	A	-0.8098
44	P	A	-0.2337
45	V	A	0.5026
46	Q	A	-0.8134
47	E	A	-1.6304
48	F	A	-0.6080
49	T	A	-0.1928
50	V	A	-0.0837
51	P	A	-0.2371
52	G	A	0.1081
53	S	A	-0.6838
54	K	A	-1.6683
55	S	A	-1.1612
56	T	A	-0.5765
57	A	A	0.0000
58	T	A	0.1225
59	I	A	0.0000
60	S	A	-0.6408
61	G	A	-1.0213
62	L	A	0.0000
63	K	A	-2.3851
64	P	A	-1.6903
65	G	A	-1.5036
66	V	A	-1.5207
67	D	A	-2.0914
68	Y	A	0.0000
69	T	A	-0.7780
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.3619
74	A	A	0.0000
75	Y	A	2.1473
76	S	A	0.0000
77	Y	A	3.4868
78	Y	A	3.3720
79	Y	A	3.4672
80	Y	A	3.6443
81	Y	A	2.9729
82	Y	A	1.6346
83	S	A	0.8241
84	S	A	0.1174
85	P	A	-0.0340
86	I	A	0.0783
87	S	A	-0.4769
88	I	A	-0.6204
89	N	A	-1.7144
90	Y	A	-1.4779
91	R	A	-2.5544
92	T	A	-1.5258