Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVVYYVITYGETGHGGYYYQEFKVPGSKSTATISGLKPGVDYTITVYAYDDEYSSSPISINYRT
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.6281
• Maximal score value: 1.6165
• Average score: -0.6352
• Total score value: -57.807

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	1.6165
2	S	A	0.1741
3	D	A	-0.5738
4	V	A	-0.7730
5	P	A	0.0000
6	R	A	-3.6281
7	D	A	-3.5976
8	L	A	0.0000
9	E	A	-2.1923
10	V	A	0.0961
11	V	A	1.5432
12	A	A	0.9007
13	A	A	0.3112
14	T	A	-0.3470
15	P	A	-1.1377
16	T	A	-1.0049
17	S	A	-0.5332
18	L	A	0.0000
19	L	A	0.7527
20	I	A	0.0000
21	S	A	-1.2014
22	W	A	0.0000
23	D	A	-3.3863
24	A	A	-1.7769
25	P	A	0.0000
26	A	A	0.1642
27	V	A	0.7042
28	T	A	0.0558
29	V	A	0.2049
30	V	A	0.2300
31	Y	A	-0.1778
32	Y	A	0.0000
33	V	A	-0.5549
34	I	A	0.0000
35	T	A	-0.8692
36	Y	A	-0.5261
37	G	A	0.0000
38	E	A	-1.4416
39	T	A	-1.3059
40	G	A	-1.2260
41	H	A	-1.0715
42	G	A	-0.5160
43	G	A	0.0298
44	Y	A	1.3983
45	Y	A	1.1331
46	Y	A	0.1584
47	Q	A	-1.1191
48	E	A	-2.0614
49	F	A	-1.2841
50	K	A	-1.6351
51	V	A	0.0000
52	P	A	-0.7418
53	G	A	-0.4463
54	S	A	-0.8499
55	K	A	-1.8701
56	S	A	-1.4024
57	T	A	-0.7605
58	A	A	0.0000
59	T	A	0.2428
60	I	A	0.0000
61	S	A	-0.6553
62	G	A	-1.0288
63	L	A	0.0000
64	K	A	-2.3821
65	P	A	-1.6861
66	G	A	-1.4781
67	V	A	-1.4536
68	D	A	-2.2387
69	Y	A	0.0000
70	T	A	-0.9870
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	0.1993
75	A	A	0.0000
76	Y	A	-0.1799
77	D	A	-1.0820
78	D	A	-2.2717
79	E	A	-2.1193
80	Y	A	-0.3682
81	S	A	-0.2407
82	S	A	0.0000
83	S	A	-0.1588
84	P	A	-0.2505
85	I	A	-0.2734
86	S	A	-0.6883
87	I	A	-0.7167
88	N	A	-1.7369
89	Y	A	-1.4858
90	R	A	-2.5668
91	T	A	-1.6617