Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDARGVPIWWQVYYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAWGGWKWYSPISINYRT
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.2379
• Maximal score value: 2.2572
• Average score: -0.3785
• Total score value: -35.5768

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	1.6433
2	S	A	0.4897
3	S	A	-0.0632
4	V	A	-0.2159
5	P	A	0.0000
6	T	A	-1.5420
7	K	A	-2.3554
8	L	A	0.0000
9	E	A	-1.2937
10	V	A	0.2275
11	V	A	1.5933
12	A	A	0.9086
13	A	A	0.2810
14	T	A	-0.5382
15	P	A	-1.1461
16	T	A	-0.9950
17	S	A	-0.5461
18	L	A	0.0000
19	L	A	0.7455
20	I	A	0.0000
21	S	A	-0.3750
22	W	A	0.0000
23	D	A	-1.6599
24	A	A	-1.3085
25	R	A	-1.8796
26	G	A	-0.7884
27	V	A	0.1621
28	P	A	0.9851
29	I	A	2.2572
30	W	A	2.1454
31	W	A	1.4545
32	Q	A	0.4437
33	V	A	0.0000
34	Y	A	1.2108
35	Y	A	0.6778
36	Y	A	0.0000
37	R	A	-0.4274
38	I	A	0.0000
39	T	A	-0.5309
40	Y	A	-0.2567
41	G	A	0.0000
42	E	A	-1.8662
43	T	A	-1.6512
44	G	A	-1.4100
45	G	A	-1.5088
46	N	A	-1.5055
47	S	A	-0.7898
48	P	A	-0.2865
49	V	A	0.4694
50	Q	A	-0.8039
51	E	A	-1.6140
52	F	A	-0.6848
53	T	A	-0.2678
54	V	A	0.0000
55	P	A	0.0450
56	G	A	0.1066
57	S	A	-0.2239
58	S	A	-0.2675
59	S	A	-0.4366
60	T	A	-0.0448
61	A	A	0.0000
62	T	A	0.2734
63	I	A	0.0000
64	S	A	-0.6644
65	G	A	-1.0351
66	L	A	0.0000
67	K	A	-2.5168
68	P	A	-1.8013
69	G	A	-1.6983
70	V	A	-1.9478
71	D	A	-3.2379
72	Y	A	0.0000
73	T	A	-0.9968
74	I	A	0.0000
75	T	A	-0.1674
76	V	A	0.0000
77	Y	A	0.2695
78	A	A	0.0000
79	W	A	0.5448
80	G	A	0.0000
81	G	A	0.3622
82	W	A	0.6480
83	K	A	-0.5480
84	W	A	0.1038
85	Y	A	0.0000
86	S	A	-0.1653
87	P	A	-0.0140
88	I	A	-0.0156
89	S	A	-0.4773
90	I	A	-0.6139
91	N	A	-1.7963
92	Y	A	-1.8092
93	R	A	-3.0427
94	T	A	-1.7936