Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYAITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYHSYDDIFLADSPSSINYRT
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)

• Minimal score value: -2.5581
• Maximal score value: 2.8267
• Average score: -0.3299
• Total score value: -32.0011

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	-0.4242
2	S	A	-0.0969
3	S	A	0.3711
4	V	A	1.2526
5	S	A	0.3419
6	S	A	-0.1389
7	V	A	-0.4460
8	P	A	0.0000
9	T	A	-1.5634
10	K	A	-2.4950
11	L	A	0.0000
12	E	A	-1.6832
13	V	A	0.2289
14	V	A	1.6043
15	A	A	0.9257
16	A	A	0.3050
17	T	A	-0.3840
18	P	A	-0.8088
19	T	A	-0.5242
20	S	A	-0.3171
21	L	A	0.0000
22	L	A	0.7717
23	I	A	0.0000
24	S	A	-0.7013
25	W	A	0.0000
26	D	A	-2.5581
27	A	A	-1.2538
28	S	A	-0.9598
29	S	A	-0.5663
30	S	A	-0.3880
31	S	A	-0.1879
32	V	A	0.1380
33	S	A	0.2003
34	H	A	-0.2694
35	Y	A	0.0000
36	A	A	0.0000
37	I	A	0.0000
38	T	A	-0.5199
39	Y	A	-0.3974
40	G	A	0.0000
41	E	A	-1.2900
42	T	A	-1.1671
43	G	A	-1.2079
44	G	A	-1.3189
45	N	A	-1.5319
46	S	A	-0.9021
47	P	A	-0.4180
48	V	A	0.2631
49	Q	A	-1.1936
50	E	A	-1.7287
51	F	A	-0.6247
52	T	A	-0.1657
53	V	A	-0.0390
54	P	A	-0.3770
55	G	A	-0.3970
56	S	A	-0.4145
57	S	A	-0.4773
58	S	A	-0.6958
59	T	A	-0.2369
60	A	A	0.0000
61	T	A	0.2518
62	I	A	0.0000
63	S	A	-0.4733
64	G	A	-0.6847
65	L	A	0.0000
66	S	A	-0.8177
67	P	A	-0.9779
68	G	A	-1.0529
69	V	A	-0.8652
70	D	A	-1.7299
71	Y	A	0.0000
72	T	A	-0.6948
73	I	A	0.0000
74	T	A	-0.1368
75	V	A	0.0000
76	Y	A	0.1184
77	A	A	0.0000
78	Y	A	1.1695
79	H	A	0.0000
80	S	A	0.8634
81	Y	A	0.5774
82	D	A	-1.4464
83	D	A	-0.9323
84	I	A	1.9926
85	F	A	2.8267
86	L	A	2.2858
87	A	A	0.9671
88	D	A	-0.2419
89	S	A	-0.3904
90	P	A	-0.2568
91	S	A	0.0000
92	S	A	-0.6464
93	I	A	-0.7714
94	N	A	-1.6549
95	Y	A	-1.3652
96	R	A	-2.2853
97	T	A	-1.1625