Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGGLRRLLRSKPISINYRT
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.4814
• Maximal score value: 1.6101
• Average score: -0.7753
• Total score value: -72.8745

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	1.6101
2	S	A	0.0202
3	D	A	-0.9384
4	V	A	-1.2493
5	P	A	0.0000
6	R	A	-3.3549
7	D	A	-3.4814
8	L	A	0.0000
9	E	A	-2.1232
10	V	A	0.1177
11	V	A	1.5451
12	A	A	0.9022
13	A	A	0.3195
14	T	A	-0.5244
15	P	A	-1.1214
16	T	A	-1.0008
17	S	A	-0.5286
18	L	A	0.0000
19	L	A	0.7594
20	I	A	0.0000
21	S	A	-1.1074
22	W	A	0.0000
23	D	A	-3.2388
24	A	A	-1.6777
25	P	A	-0.5987
26	A	A	0.2829
27	V	A	0.3391
28	T	A	-0.4435
29	V	A	-1.1179
30	R	A	-1.6542
31	Y	A	-1.2484
32	Y	A	0.0000
33	R	A	-0.9041
34	I	A	0.0000
35	T	A	-0.4070
36	Y	A	-0.2384
37	G	A	0.0000
38	E	A	-1.5805
39	T	A	-1.2379
40	G	A	-1.2365
41	G	A	-1.4238
42	N	A	-1.5602
43	S	A	-0.9088
44	P	A	-0.3319
45	V	A	0.4514
46	Q	A	-0.8071
47	E	A	-1.2242
48	F	A	-0.4135
49	T	A	-0.1896
50	V	A	-0.5036
51	P	A	-1.0222
52	G	A	-1.2670
53	S	A	-1.1382
54	K	A	-1.7013
55	S	A	-1.1464
56	T	A	-0.5974
57	A	A	0.0000
58	T	A	0.2589
59	I	A	0.0000
60	S	A	-0.6599
61	G	A	-1.0297
62	L	A	0.0000
63	K	A	-2.3675
64	P	A	-1.6626
65	G	A	-1.4459
66	V	A	-1.4023
67	D	A	-2.0578
68	Y	A	0.0000
69	T	A	-0.7578
70	I	A	0.0000
71	T	A	-0.3053
72	V	A	0.0000
73	Y	A	-0.9391
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.8577
77	G	A	-0.8131
78	G	A	-0.7490
79	L	A	0.1731
80	R	A	-1.8906
81	R	A	-1.8615
82	L	A	-0.1156
83	L	A	-0.6446
84	R	A	-1.9133
85	S	A	0.0000
86	K	A	-2.1166
87	P	A	-1.3146
88	I	A	-0.6457
89	S	A	-0.8567
90	I	A	-0.7263
91	N	A	-1.7072
92	Y	A	-1.4378
93	R	A	-2.5072
94	T	A	-1.6201