Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYSDDFLDFAFSPSSINYRT
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.3251
• Maximal score value: 1.6221
• Average score: -0.3709
• Total score value: -35.9777

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	-0.4293
2	S	A	-0.0959
3	S	A	0.3371
4	V	A	1.2768
5	S	A	0.5104
6	S	A	0.2251
7	V	A	-0.0131
8	P	A	0.0000
9	T	A	-1.1375
10	K	A	-2.3251
11	L	A	-1.5089
12	E	A	-1.5550
13	V	A	0.2744
14	V	A	1.6221
15	A	A	0.9264
16	A	A	0.3020
17	T	A	-0.3914
18	P	A	-0.8176
19	T	A	-0.5311
20	S	A	-0.3216
21	L	A	0.0000
22	L	A	0.7698
23	I	A	0.0000
24	S	A	-0.5905
25	W	A	0.0000
26	D	A	-2.2763
27	A	A	-1.1452
28	S	A	-0.9342
29	S	A	-0.5243
30	S	A	-0.3654
31	S	A	-0.2861
32	V	A	0.0000
33	S	A	-0.2337
34	Y	A	0.3390
35	Y	A	0.0000
36	R	A	-0.4277
37	I	A	0.0000
38	T	A	-0.6691
39	Y	A	-0.3937
40	G	A	0.0000
41	E	A	-1.2797
42	T	A	-1.1624
43	G	A	-1.2073
44	G	A	-1.3126
45	N	A	-1.5231
46	S	A	-0.8806
47	P	A	-0.4098
48	V	A	0.2814
49	Q	A	-1.1894
50	E	A	-1.8030
51	F	A	-0.7086
52	T	A	-0.1701
53	V	A	0.0967
54	P	A	-0.1627
55	G	A	-0.1089
56	S	A	-0.3169
57	S	A	-0.3522
58	S	A	-0.5311
59	T	A	-0.1847
60	A	A	0.0000
61	T	A	0.2491
62	I	A	0.0000
63	S	A	-0.4742
64	G	A	-0.6853
65	L	A	0.0000
66	S	A	-0.8252
67	P	A	-0.9912
68	G	A	-1.0630
69	V	A	-0.8996
70	D	A	-1.7895
71	Y	A	0.0000
72	T	A	-0.6989
73	I	A	0.0000
74	T	A	-0.4663
75	V	A	0.0000
76	Y	A	0.2812
77	A	A	0.0000
78	Y	A	0.3579
79	Y	A	0.0093
80	S	A	-0.5000
81	D	A	-0.7944
82	D	A	-1.1446
83	F	A	1.2445
84	L	A	1.0906
85	D	A	-0.5366
86	F	A	0.9674
87	A	A	0.6758
88	F	A	0.8767
89	S	A	0.2277
90	P	A	0.0393
91	S	A	0.0000
92	S	A	-0.6203
93	I	A	-0.7137
94	N	A	-1.6577
95	Y	A	-1.3422
96	R	A	-2.3003
97	T	A	-1.1796