Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWAKRPGAFDSFLIQYQESEKVGEAIVLTVPGSCRSYDLTGLKPGTEYTVSIYGVDVKYDIDSRPISSNPLSAIFTT
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.0644
• Maximal score value: 1.7523
• Average score: -0.778
• Total score value: -74.691

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	L	A	0.8000
2	P	A	-0.4637
3	A	A	-0.8457
4	P	A	0.0000
5	K	A	-2.4324
6	N	A	-1.5910
7	L	A	-0.3937
8	V	A	1.1574
9	V	A	0.6677
10	S	A	-0.5930
11	R	A	-1.9992
12	V	A	-1.0184
13	T	A	-1.7911
14	E	A	-3.0596
15	D	A	-2.7725
16	S	A	-2.0910
17	A	A	0.0000
18	R	A	-1.2158
19	L	A	0.0000
20	S	A	-0.6558
21	W	A	0.0000
22	A	A	-1.8236
23	K	A	-2.3486
24	R	A	-2.4848
25	P	A	-1.4760
26	G	A	-1.5326
27	A	A	-1.2486
28	F	A	0.0000
29	D	A	-1.7413
30	S	A	-0.6539
31	F	A	0.0000
32	L	A	0.7079
33	I	A	0.0000
34	Q	A	0.4399
35	Y	A	0.3281
36	Q	A	-0.8842
37	E	A	-1.8247
38	S	A	-1.5569
39	E	A	-2.5450
40	K	A	-1.7945
41	V	A	0.1160
42	G	A	-0.9204
43	E	A	-1.7928
44	A	A	-0.3691
45	I	A	0.7429
46	V	A	1.4893
47	L	A	1.1663
48	T	A	0.4624
49	V	A	0.0000
50	P	A	-0.8883
51	G	A	0.0000
52	S	A	-1.1378
53	C	A	-1.1068
54	R	A	-1.8869
55	S	A	-1.0705
56	Y	A	-0.9124
57	D	A	-1.6943
58	L	A	0.0000
59	T	A	-1.3724
60	G	A	-1.5159
61	L	A	0.0000
62	K	A	-3.0644
63	P	A	-2.6393
64	G	A	-1.9305
65	T	A	-2.3792
66	E	A	-2.1715
67	Y	A	0.0000
68	T	A	-0.0460
69	V	A	0.0000
70	S	A	0.2183
71	I	A	0.0000
72	Y	A	0.0924
73	G	A	0.0000
74	V	A	-0.0594
75	D	A	-0.6062
76	V	A	0.1821
77	K	A	-1.0837
78	Y	A	-0.7448
79	D	A	-1.5733
80	I	A	0.1308
81	D	A	-1.7673
82	S	A	-1.4560
83	R	A	-2.2878
84	P	A	-1.0871
85	I	A	-0.1947
86	S	A	-0.2166
87	S	A	0.0000
88	N	A	-1.0827
89	P	A	-0.8616
90	L	A	-0.7125
91	S	A	0.0653
92	A	A	1.1843
93	I	A	1.7523
94	F	A	0.0000
95	T	A	-0.9226
96	T	A	-2.0020