Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVYYHITYGETGGNSPVQAFKVPGSKSTATISGLSPGVDYTITVYATYRLWGSWQYYYSSPISINYRT
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.6217
• Maximal score value: 1.7414
• Average score: -0.3104
• Total score value: -29.7995

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	1.7414
2	S	A	0.7680
3	S	A	0.7423
4	V	A	0.5255
5	P	A	0.0000
6	T	A	-1.4988
7	K	A	-2.5628
8	L	A	0.0000
9	E	A	-1.8973
10	V	A	0.0746
11	V	A	1.5125
12	A	A	0.8692
13	A	A	0.2793
14	T	A	-0.3947
15	P	A	-0.8124
16	T	A	-0.5405
17	S	A	-0.3348
18	L	A	0.0000
19	L	A	0.6950
20	I	A	0.0000
21	S	A	-0.9195
22	W	A	0.0000
23	D	A	-2.3977
24	A	A	-1.1613
25	P	A	0.0145
26	A	A	0.3330
27	V	A	0.0000
28	T	A	0.0781
29	V	A	0.3931
30	V	A	0.6582
31	Y	A	-0.2380
32	Y	A	0.0000
33	H	A	-0.4711
34	I	A	0.0000
35	T	A	0.0488
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4903
39	T	A	-1.4528
40	G	A	-1.3319
41	G	A	-1.4086
42	N	A	-1.5124
43	S	A	-0.8127
44	P	A	-0.0850
45	V	A	0.9104
46	Q	A	0.0991
47	A	A	-0.0909
48	F	A	-0.5241
49	K	A	-1.4933
50	V	A	0.0000
51	P	A	-0.9472
52	G	A	-0.6381
53	S	A	-0.9527
54	K	A	-2.0240
55	S	A	-1.3633
56	T	A	-0.7432
57	A	A	0.0000
58	T	A	0.2225
59	I	A	0.0000
60	S	A	-0.4834
61	G	A	-0.6920
62	L	A	0.0000
63	S	A	-0.9202
64	P	A	-1.0732
65	G	A	-1.2086
66	V	A	-1.2110
67	D	A	-2.5061
68	Y	A	0.0000
69	T	A	-0.9224
70	I	A	0.0000
71	T	A	0.0687
72	V	A	0.0000
73	Y	A	0.3901
74	A	A	0.0000
75	T	A	0.0000
76	Y	A	0.6181
77	R	A	-0.2816
78	L	A	0.4323
79	W	A	0.8532
80	G	A	0.1106
81	S	A	0.3248
82	W	A	0.7784
83	Q	A	0.0485
84	Y	A	1.0451
85	Y	A	1.1564
86	Y	A	1.5245
87	S	A	0.0000
88	S	A	0.3277
89	P	A	0.2359
90	I	A	0.1388
91	S	A	-0.3489
92	I	A	-0.5485
93	N	A	-1.8912
94	Y	A	-1.6661
95	R	A	-2.6217
96	T	A	-1.3438