Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWFRLRIVQTFDSFLIQYQESEKVGEAIVLIVPGSERSYDLTGLKPGTEYTVSIYGVITVVELLQQSNPLSAIFTT
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.0882
• Maximal score value: 2.4447
• Average score: -0.4223
• Total score value: -40.1197

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	-0.0411
2	P	A	-0.2311
3	A	A	-0.9853
4	P	A	0.0000
5	K	A	-1.8027
6	N	A	-1.3602
7	L	A	-0.2730
8	V	A	0.7204
9	V	A	0.3595
10	S	A	-0.7799
11	R	A	-2.0238
12	V	A	-1.0684
13	T	A	-1.8204
14	E	A	-3.0806
15	D	A	-2.7878
16	S	A	-2.1097
17	A	A	0.0000
18	R	A	-1.2909
19	L	A	0.0000
20	S	A	-0.3019
21	W	A	0.0000
22	F	A	-0.0352
23	R	A	-0.7589
24	L	A	-0.2666
25	R	A	-0.4697
26	I	A	1.7654
27	V	A	1.9769
28	Q	A	-0.0428
29	T	A	-0.6806
30	F	A	0.0000
31	D	A	-1.7480
32	S	A	-0.7700
33	F	A	0.0000
34	L	A	1.1539
35	I	A	0.0000
36	Q	A	0.8682
37	Y	A	0.5388
38	Q	A	-0.6679
39	E	A	-1.7862
40	S	A	-1.5433
41	E	A	-2.5702
42	K	A	-1.8925
43	V	A	0.0144
44	G	A	-0.8700
45	E	A	-1.6584
46	A	A	-0.0714
47	I	A	1.2956
48	V	A	2.2829
49	L	A	2.2852
50	I	A	2.4447
51	V	A	0.0000
52	P	A	-0.6973
53	G	A	-1.1830
54	S	A	-1.3630
55	E	A	-1.3976
56	R	A	-0.8651
57	S	A	-0.6056
58	Y	A	-0.7424
59	D	A	-1.6191
60	L	A	0.0000
61	T	A	-1.3721
62	G	A	-1.5193
63	L	A	0.0000
64	K	A	-3.0882
65	P	A	-2.6262
66	G	A	-1.9280
67	T	A	-2.3864
68	E	A	-2.1890
69	Y	A	0.0000
70	T	A	-0.0346
71	V	A	0.0000
72	S	A	0.2311
73	I	A	0.0000
74	Y	A	-0.1909
75	G	A	0.0000
76	V	A	0.0000
77	I	A	0.0000
78	T	A	0.5839
79	V	A	1.5621
80	V	A	1.8454
81	E	A	0.2098
82	L	A	1.8848
83	L	A	1.5651
84	Q	A	0.1422
85	Q	A	-1.0172
86	S	A	0.0000
87	N	A	-1.3952
88	P	A	-0.9166
89	L	A	-0.7122
90	S	A	0.0001
91	A	A	1.0719
92	I	A	1.6973
93	F	A	0.0000
94	T	A	-0.9440
95	T	A	-2.0378