Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAFDGYWYDYVSYYRITYGETGGNSPVQEFTVPSSSSTATISGLKPGVDYTITVYAYSHSQQQYLSPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -2.6361
• Maximal score value: 2.3341
• Average score: -0.4268
• Total score value: -40.9703

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	V	A	1.7595
2	S	A	0.7479
3	S	A	0.4230
4	V	A	0.2582
5	P	A	0.0000
6	T	A	-1.5232
7	K	A	-2.6361
8	L	A	0.0000
9	E	A	-1.9278
10	V	A	0.0952
11	V	A	1.5267
12	A	A	0.8903
13	A	A	0.3017
14	T	A	-0.5511
15	P	A	-1.1983
16	T	A	-1.0443
17	S	A	-0.5468
18	L	A	0.0000
19	L	A	0.7408
20	I	A	0.0000
21	S	A	-0.8052
22	W	A	0.0000
23	D	A	-2.5893
24	A	A	-1.2472
25	F	A	-0.1163
26	D	A	-1.2421
27	G	A	0.6396
28	Y	A	1.8823
29	W	A	2.3341
30	Y	A	2.0815
31	D	A	0.7418
32	Y	A	1.3797
33	V	A	0.0000
34	S	A	-0.1056
35	Y	A	0.2965
36	Y	A	0.0000
37	R	A	-0.3113
38	I	A	0.0000
39	T	A	0.0000
40	Y	A	-0.3151
41	G	A	0.0000
42	E	A	-1.5692
43	T	A	-1.2587
44	G	A	-1.2363
45	G	A	-1.3959
46	N	A	-1.5374
47	S	A	-0.8604
48	P	A	-0.3289
49	V	A	0.4247
50	Q	A	-0.8622
51	E	A	-1.6135
52	F	A	-0.5896
53	T	A	-0.1586
54	V	A	0.0602
55	P	A	-0.2518
56	S	A	-0.0425
57	S	A	-0.4180
58	S	A	-0.4070
59	S	A	-0.5245
60	T	A	-0.2641
61	A	A	0.0000
62	T	A	0.2518
63	I	A	0.0000
64	S	A	-0.6592
65	G	A	-1.0433
66	L	A	0.0000
67	K	A	-2.4559
68	P	A	-1.8028
69	G	A	-1.5520
70	V	A	-1.5458
71	D	A	-2.1421
72	Y	A	0.0000
73	T	A	-0.7715
74	I	A	0.0000
75	T	A	-0.1544
76	V	A	0.0000
77	Y	A	0.2340
78	A	A	0.0000
79	Y	A	-0.1738
80	S	A	0.0000
81	H	A	-1.2739
82	S	A	-0.9041
83	Q	A	-1.4877
84	Q	A	-2.2537
85	Q	A	-1.6217
86	Y	A	-0.2068
87	L	A	0.0000
88	S	A	-0.0683
89	P	A	0.0691
90	I	A	0.0252
91	S	A	-0.5325
92	I	A	-0.6987
93	N	A	-1.7057
94	Y	A	-1.4504
95	R	A	-2.5710
96	T	A	-1.5805