Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYSYYDIYYAVSPSSINYRT
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.                                          (00:00:31)

• Minimal score value: -2.6455
• Maximal score value: 2.6343
• Average score: -0.2279
• Total score value: -22.1068

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	-0.4208
2	S	A	-0.0846
3	S	A	0.3466
4	V	A	1.4800
5	S	A	0.5460
6	S	A	0.2354
7	V	A	-0.1402
8	P	A	0.0000
9	T	A	-1.4400
10	K	A	-2.6455
11	L	A	0.0000
12	E	A	-1.6933
13	V	A	0.2287
14	V	A	1.6034
15	A	A	0.9272
16	A	A	0.2967
17	T	A	-0.3856
18	P	A	-0.8125
19	T	A	-0.5319
20	S	A	-0.3150
21	L	A	0.0000
22	L	A	0.7786
23	I	A	0.0000
24	S	A	-0.7013
25	W	A	0.0000
26	D	A	-2.5249
27	A	A	-1.2330
28	S	A	-0.8459
29	S	A	-0.5739
30	S	A	-0.3959
31	S	A	-0.2167
32	V	A	0.0000
33	S	A	0.2790
34	Y	A	0.2390
35	Y	A	0.0000
36	R	A	-0.4721
37	I	A	0.0000
38	T	A	0.0000
39	Y	A	-0.3035
40	G	A	0.0000
41	E	A	-1.2652
42	T	A	-1.1780
43	G	A	-1.2050
44	G	A	-1.3185
45	N	A	-1.5224
46	S	A	-0.8236
47	P	A	-0.2996
48	V	A	0.4817
49	Q	A	-0.7813
50	E	A	-1.5983
51	F	A	-0.5971
52	T	A	-0.1998
53	V	A	0.0646
54	P	A	-0.2222
55	G	A	-0.2319
56	S	A	-0.3424
57	S	A	-0.3955
58	S	A	-0.6085
59	T	A	-0.2223
60	A	A	0.0000
61	T	A	0.2555
62	I	A	0.0000
63	S	A	-0.4727
64	G	A	-0.6871
65	L	A	0.0000
66	S	A	-0.8302
67	P	A	-0.9854
68	G	A	-1.0613
69	V	A	-0.8898
70	D	A	-1.7638
71	Y	A	0.0000
72	T	A	-0.7513
73	I	A	0.0000
74	T	A	-0.4640
75	V	A	0.0000
76	Y	A	0.2263
77	A	A	0.0000
78	Y	A	1.1200
79	Y	A	0.0000
80	S	A	1.3196
81	Y	A	1.7504
82	Y	A	1.5131
83	D	A	0.2649
84	I	A	2.4135
85	Y	A	2.6343
86	Y	A	2.0518
87	A	A	1.1885
88	V	A	0.6190
89	S	A	0.0233
90	P	A	-0.1470
91	S	A	-0.4826
92	S	A	-0.6718
93	I	A	-0.7618
94	N	A	-1.6643
95	Y	A	-1.3609
96	R	A	-2.2871
97	T	A	-1.1646