Project name: query_structure

Chain sequence(s)	A: LPAPKNLWSRVTEDSARLSWTAPDAAFDSFWIRYFEFVSKGEAIVLTVPGSERSYDLTGLKPGTEYWNIMGVKGGSISPPLSAIFTT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -2.7448
• Maximal score value: 2.3778
• Average score: -0.4987
• Total score value: -43.3874

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	0.9330
2	P	A	0.0642
3	A	A	-0.2681
4	P	A	0.0000
5	K	A	-1.9911
6	N	A	-1.5855
7	L	A	-0.4124
8	W	A	-0.0067
9	S	A	-0.6760
10	R	A	-1.9799
11	V	A	-1.2491
12	T	A	-1.6460
13	E	A	-2.7196
14	D	A	-2.7448
15	S	A	-2.2379
16	A	A	0.0000
17	R	A	-2.2286
18	L	A	0.0000
19	S	A	-1.0051
20	W	A	0.0000
21	T	A	-1.3091
22	A	A	-1.3805
23	P	A	-1.3334
24	D	A	-2.2687
25	A	A	-1.4389
26	A	A	-1.0768
27	F	A	0.0000
28	D	A	-2.5110
29	S	A	-1.1368
30	F	A	0.0000
31	W	A	0.7077
32	I	A	0.0000
33	R	A	0.0253
34	Y	A	1.0228
35	F	A	1.2853
36	E	A	0.5902
37	F	A	1.6741
38	V	A	1.0410
39	S	A	-0.4970
40	K	A	-1.6290
41	G	A	-1.5127
42	E	A	-1.8640
43	A	A	-0.4241
44	I	A	0.6579
45	V	A	1.0865
46	L	A	0.8638
47	T	A	0.2960
48	V	A	0.0000
49	P	A	-1.0672
50	G	A	0.0000
51	S	A	-1.6020
52	E	A	-1.5125
53	R	A	-1.1210
54	S	A	-0.8948
55	Y	A	-1.0092
56	D	A	-1.9926
57	L	A	0.0000
58	T	A	-1.5289
59	G	A	-1.4957
60	L	A	0.0000
61	K	A	-2.0185
62	P	A	-1.5571
63	G	A	-0.4780
64	T	A	0.9424
65	E	A	0.0000
66	Y	A	2.0243
67	W	A	0.0000
68	N	A	0.2695
69	I	A	0.0000
70	M	A	0.0000
71	G	A	0.0000
72	V	A	-0.3344
73	K	A	-1.3751
74	G	A	-1.3054
75	G	A	-0.9018
76	S	A	-0.1322
77	I	A	1.1195
78	S	A	0.0000
79	P	A	0.0893
80	P	A	-0.4039
81	L	A	-0.6289
82	S	A	0.2622
83	A	A	1.3564
84	I	A	2.3778
85	F	A	0.0000
86	T	A	-0.0349
87	T	A	-1.5497