Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPRTPKHYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYLYQLPLPSKPISINYRT
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.6803
• Maximal score value: 1.9364
• Average score: -0.6933
• Total score value: -62.3973

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	1.2779
2	S	A	-0.3353
3	D	A	-1.2135
4	V	A	-1.2138
5	P	A	0.0000
6	R	A	-3.6803
7	D	A	-3.5752
8	L	A	-2.2768
9	E	A	-2.1021
10	V	A	0.1115
11	V	A	1.5439
12	A	A	0.8899
13	A	A	0.2989
14	T	A	-0.5324
15	P	A	-1.1360
16	T	A	-1.0048
17	S	A	-0.5344
18	L	A	0.0000
19	L	A	0.7301
20	I	A	0.0000
21	S	A	-1.1693
22	W	A	0.0000
23	D	A	-3.6156
24	A	A	-2.4150
25	P	A	-1.9316
26	R	A	-2.3516
27	T	A	-1.8228
28	P	A	-1.7630
29	K	A	-1.8921
30	H	A	-0.3397
31	Y	A	0.6863
32	Y	A	0.0000
33	R	A	-0.2985
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.5279
39	T	A	-1.2331
40	G	A	-1.2227
41	G	A	-1.3520
42	N	A	-1.5282
43	S	A	-0.8293
44	P	A	-0.3159
45	V	A	0.4284
46	Q	A	-0.8509
47	E	A	-1.7212
48	F	A	-0.7708
49	T	A	0.0032
50	V	A	0.0000
51	P	A	-0.6139
52	G	A	0.0000
53	S	A	-1.4184
54	K	A	-1.7621
55	S	A	-1.5402
56	T	A	-0.7093
57	A	A	0.0000
58	T	A	0.2326
59	I	A	0.0000
60	S	A	-0.6571
61	G	A	-1.0307
62	L	A	0.0000
63	K	A	-2.3698
64	P	A	-1.6607
65	G	A	-1.4412
66	V	A	-1.4323
67	D	A	-2.0454
68	Y	A	0.0000
69	T	A	-0.7975
70	I	A	0.0000
71	T	A	-0.2423
72	V	A	0.0000
73	Y	A	0.1504
74	L	A	0.0000
75	Y	A	1.7085
76	Q	A	1.1039
77	L	A	1.9364
78	P	A	1.3505
79	L	A	1.6108
80	P	A	0.5310
81	S	A	-0.2251
82	K	A	-1.6066
83	P	A	-0.9411
84	I	A	-1.0008
85	S	A	-0.9403
86	I	A	-0.7399
87	N	A	-1.7169
88	Y	A	-1.4192
89	R	A	-2.4985
90	T	A	-1.6264