Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDATGGHSYGSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYKYYGWGSYQYSPISINYRTC
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.692
• Maximal score value: 1.538
• Average score: -0.2875
• Total score value: -29.3254

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	-0.4257
2	S	A	-0.1008
3	S	A	0.3365
4	V	A	1.4535
5	S	A	0.4944
6	S	A	0.2498
7	V	A	0.0218
8	P	A	0.0000
9	T	A	-1.2655
10	K	A	-2.6920
11	L	A	0.0000
12	E	A	-1.8758
13	V	A	0.1170
14	V	A	1.5380
15	A	A	0.8888
16	A	A	0.4309
17	T	A	0.0171
18	P	A	-0.4437
19	T	A	-0.3793
20	S	A	-0.2117
21	L	A	0.0000
22	L	A	0.7359
23	I	A	0.0000
24	S	A	-0.8048
25	W	A	0.0000
26	D	A	-2.6540
27	A	A	-1.3948
28	T	A	-1.2752
29	G	A	-1.2475
30	G	A	-1.1161
31	H	A	-1.1915
32	S	A	-0.3087
33	Y	A	0.8130
34	G	A	0.0167
35	S	A	-0.3159
36	V	A	0.0000
37	S	A	0.0875
38	Y	A	0.3201
39	Y	A	0.0000
40	R	A	-0.3293
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4284
44	G	A	0.0000
45	E	A	-1.3550
46	T	A	-1.2197
47	G	A	-1.2096
48	G	A	-1.3770
49	N	A	-1.5360
50	S	A	-0.8950
51	P	A	-0.4076
52	V	A	0.2745
53	Q	A	-1.1980
54	E	A	-1.7970
55	F	A	-0.6624
56	T	A	-0.2031
57	V	A	0.0537
58	P	A	-0.2327
59	G	A	-0.3215
60	S	A	-0.3816
61	S	A	-0.3949
62	S	A	-0.6464
63	T	A	-0.2588
64	A	A	0.0000
65	T	A	0.2477
66	I	A	0.0000
67	S	A	-0.4638
68	G	A	-0.6711
69	L	A	0.0000
70	S	A	-0.7013
71	P	A	-0.7067
72	G	A	-0.7957
73	V	A	-0.7867
74	D	A	-1.7487
75	Y	A	0.0000
76	T	A	-0.7539
77	I	A	0.0000
78	T	A	-0.3769
79	V	A	0.0000
80	Y	A	0.3257
81	A	A	0.0000
82	Y	A	0.6177
83	K	A	0.5196
84	Y	A	1.1793
85	Y	A	0.8176
86	G	A	0.5108
87	W	A	1.0278
88	G	A	0.1982
89	S	A	0.4225
90	Y	A	0.9243
91	Q	A	0.1341
92	Y	A	1.1311
93	S	A	0.4784
94	P	A	0.2140
95	I	A	0.1149
96	S	A	-0.5475
97	I	A	-0.7086
98	N	A	-1.7127
99	Y	A	-1.3773
100	R	A	-2.1397
101	T	A	0.0000
102	C	A	0.0093