Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYELYKGYTYPYYSSPISINYRTC
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.6312
• Maximal score value: 2.5045
• Average score: -0.1812
• Total score value: -18.117

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	-0.3932
2	S	A	-0.0094
3	S	A	0.4214
4	V	A	1.5089
5	S	A	0.6313
6	S	A	0.7505
7	V	A	0.4308
8	P	A	0.0000
9	T	A	-1.5805
10	K	A	-2.6312
11	L	A	0.0000
12	E	A	-1.9462
13	V	A	0.0688
14	V	A	1.5048
15	A	A	0.8660
16	A	A	0.4337
17	T	A	-0.1637
18	P	A	-0.4651
19	T	A	-0.3914
20	S	A	-0.2217
21	L	A	0.0000
22	L	A	0.6905
23	I	A	0.0000
24	S	A	-0.7996
25	W	A	0.0000
26	D	A	-2.5421
27	A	A	-1.2008
28	S	A	-0.5612
29	S	A	-0.2586
30	S	A	-0.4157
31	S	A	-0.1131
32	V	A	0.0000
33	S	A	0.4125
34	Y	A	0.2962
35	Y	A	0.0000
36	R	A	-0.4876
37	I	A	0.0000
38	T	A	0.0000
39	Y	A	0.0000
40	G	A	0.0000
41	E	A	-1.2673
42	T	A	-1.1913
43	G	A	-1.2904
44	G	A	-1.1925
45	N	A	-1.6280
46	S	A	-0.8218
47	P	A	-0.3426
48	V	A	0.3246
49	Q	A	-1.1353
50	E	A	-1.7878
51	F	A	-0.7207
52	T	A	-0.2737
53	V	A	0.0000
54	P	A	-0.3011
55	G	A	-0.2824
56	S	A	-0.3703
57	S	A	-0.4500
58	S	A	-0.6450
59	T	A	-0.2988
60	A	A	0.0000
61	T	A	0.2753
62	I	A	0.0000
63	S	A	-0.4667
64	G	A	-0.6678
65	L	A	0.0000
66	S	A	-0.6859
67	P	A	-0.7403
68	G	A	-0.8335
69	V	A	-0.7991
70	D	A	-1.5699
71	Y	A	-0.9446
72	T	A	-0.6924
73	I	A	0.0000
74	T	A	-0.1833
75	V	A	0.0000
76	Y	A	0.4069
77	A	A	0.0000
78	Y	A	0.0000
79	E	A	0.0000
80	L	A	2.0096
81	Y	A	1.1151
82	K	A	-0.9112
83	G	A	-0.0650
84	Y	A	1.6327
85	T	A	1.2466
86	Y	A	2.3726
87	P	A	2.1497
88	Y	A	2.5045
89	Y	A	1.9937
90	S	A	0.0000
91	S	A	0.3748
92	P	A	0.2343
93	I	A	0.1096
94	S	A	-0.3739
95	I	A	-0.7149
96	N	A	-1.6667
97	Y	A	-1.3009
98	R	A	-2.0887
99	T	A	0.0000
100	C	A	0.0025