Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDAYYYSSWGVGYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYWGDYWPVHSPISINYRTC
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -2.1478
• Maximal score value: 2.1357
• Average score: -0.1562
• Total score value: -15.4647

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	-0.6053
2	S	A	-0.5213
3	S	A	-0.0074
4	V	A	0.7162
5	S	A	0.1232
6	S	A	-0.1489
7	V	A	-0.1257
8	P	A	0.0000
9	T	A	-0.6972
10	K	A	-1.4432
11	L	A	0.0000
12	E	A	-0.9797
13	V	A	0.3515
14	V	A	1.6634
15	A	A	0.9516
16	A	A	0.4270
17	T	A	0.0097
18	P	A	-0.4542
19	T	A	-0.3854
20	S	A	-0.2190
21	L	A	0.0000
22	L	A	0.8255
23	I	A	0.0000
24	S	A	-0.3802
25	W	A	0.0000
26	D	A	-1.3592
27	A	A	0.0015
28	Y	A	1.1117
29	Y	A	2.0151
30	Y	A	2.1357
31	S	A	1.4191
32	S	A	0.7954
33	W	A	1.3424
34	G	A	0.9343
35	V	A	0.8683
36	G	A	-0.1869
37	Y	A	-0.2441
38	Y	A	0.0000
39	R	A	-0.5381
40	I	A	0.0000
41	T	A	0.0000
42	Y	A	-0.4646
43	G	A	0.0000
44	E	A	-1.3450
45	T	A	-1.2253
46	G	A	-1.2157
47	G	A	-1.3883
48	N	A	-1.5333
49	S	A	-0.8872
50	P	A	-0.4095
51	V	A	0.2678
52	Q	A	-1.2015
53	E	A	-1.8076
54	F	A	-0.7597
55	T	A	-0.2994
56	V	A	0.0000
57	P	A	-0.3657
58	G	A	-0.0563
59	S	A	-0.1668
60	S	A	-0.3614
61	S	A	-0.4512
62	T	A	-0.1616
63	A	A	0.0000
64	T	A	0.2844
65	I	A	0.0000
66	S	A	-0.4644
67	G	A	-0.6767
68	L	A	0.0000
69	S	A	-0.7148
70	P	A	-0.7174
71	G	A	-0.7959
72	V	A	-0.7519
73	D	A	-1.7338
74	Y	A	0.0000
75	T	A	-0.8510
76	I	A	0.0000
77	T	A	-0.3123
78	V	A	0.0000
79	Y	A	0.1651
80	A	A	0.0000
81	Y	A	0.4595
82	W	A	0.7796
83	G	A	-0.1899
84	D	A	-1.0743
85	Y	A	0.7674
86	W	A	1.4364
87	P	A	0.7757
88	V	A	1.0384
89	H	A	0.1340
90	S	A	-0.3149
91	P	A	-0.2676
92	I	A	0.0000
93	S	A	-0.4559
94	I	A	0.0000
95	N	A	-1.9497
96	Y	A	-1.4540
97	R	A	-2.1478
98	T	A	0.0000
99	C	A	0.0036