Project name: query_structure

Chain sequence(s)	A: VYPKKTHWTAEITPNLHGTEVVVAGWVEDLVDAGKTKWVFVCDREGGAQVIVELVAGKTPDHLFKVFAELSREDVVVIKGIVEASKSRAVGVEIFPSEIWILNKAKPLPID
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:38)

• Minimal score value: -3.2521
• Maximal score value: 2.1654
• Average score: -0.904
• Total score value: -100.3434

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	2.1654
2	Y	A	1.6677
3	P	A	-0.1103
4	K	A	-1.5452
5	K	A	-1.2162
6	T	A	-1.1661
7	H	A	-0.7250
8	W	A	-0.7791
9	T	A	0.0000
10	A	A	-1.3323
11	E	A	-1.4848
12	I	A	0.0000
13	T	A	-1.1824
14	P	A	-1.5263
15	N	A	-1.9398
16	L	A	-1.5738
17	H	A	-1.9377
18	G	A	-1.4663
19	T	A	-1.4028
20	E	A	-1.8789
21	V	A	0.0000
22	V	A	0.0000
23	V	A	0.0000
24	A	A	-0.1759
25	G	A	0.0000
26	W	A	-0.7125
27	V	A	0.0000
28	E	A	-1.9199
29	D	A	-1.5717
30	L	A	-0.5996
31	V	A	-0.2439
32	D	A	-1.7914
33	A	A	-1.2701
34	G	A	-1.7139
35	K	A	-2.1846
36	T	A	-1.2395
37	K	A	-0.8656
38	W	A	0.0759
39	V	A	0.0000
40	F	A	-0.3605
41	V	A	0.0000
42	C	A	-1.1254
43	D	A	0.0000
44	R	A	-2.4632
45	E	A	-2.5082
46	G	A	-1.9791
47	G	A	-1.4757
48	A	A	-1.2498
49	Q	A	-1.2801
50	V	A	0.0000
51	I	A	0.0000
52	V	A	0.0000
53	E	A	0.0000
54	L	A	0.0000
55	V	A	-1.0453
56	A	A	-1.5610
57	G	A	-1.7406
58	K	A	-2.0665
59	T	A	0.0000
60	P	A	-1.9206
61	D	A	-2.7996
62	H	A	-2.3852
63	L	A	0.0000
64	F	A	-1.6873
65	K	A	-2.4359
66	V	A	-1.3508
67	F	A	0.0000
68	A	A	-1.3135
69	E	A	-1.9271
70	L	A	0.0000
71	S	A	-2.2174
72	R	A	-3.1767
73	E	A	-3.2521
74	D	A	0.0000
75	V	A	-0.4166
76	V	A	0.0000
77	V	A	0.0000
78	I	A	0.0000
79	K	A	-0.9941
80	G	A	0.0000
81	I	A	-0.4444
82	V	A	0.0000
83	E	A	-1.4743
84	A	A	-1.4645
85	S	A	-1.5859
86	K	A	-2.2965
87	S	A	-1.8009
88	R	A	-2.2938
89	A	A	-1.0440
90	V	A	-0.8944
91	G	A	-1.3240
92	V	A	0.0000
93	E	A	0.0000
94	I	A	0.0000
95	F	A	-0.2055
96	P	A	0.0000
97	S	A	-0.9214
98	E	A	-0.7106
99	I	A	0.0000
100	W	A	0.8955
101	I	A	0.3965
102	L	A	0.3367
103	N	A	-1.7541
104	K	A	-3.0967
105	A	A	-2.5427
106	K	A	-2.5533
107	P	A	-0.9419
108	L	A	0.4267
109	P	A	0.6380
110	I	A	1.3983
111	D	A	-0.7073