Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIAYPEWPPQGEAIVLTVPGSERSYDLTGLKPGTEYFVVIYGVKGGSYSAPLSAIFTT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.8408
• Maximal score value: 2.3039
• Average score: -0.5115
• Total score value: -45.5214

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	1.4200
2	P	A	0.3314
3	A	A	0.0703
4	P	A	0.0000
5	K	A	-2.1192
6	N	A	-1.5467
7	L	A	-0.1708
8	V	A	1.2714
9	V	A	0.7314
10	S	A	-0.5697
11	R	A	-1.8202
12	V	A	-0.9487
13	T	A	-1.6792
14	E	A	-2.7060
15	D	A	-2.4724
16	S	A	-1.9509
17	A	A	0.0000
18	R	A	-1.1841
19	L	A	0.0000
20	S	A	-0.3450
21	W	A	0.0000
22	T	A	-1.3140
23	A	A	-1.4369
24	P	A	-1.4046
25	D	A	-2.2613
26	A	A	-1.4192
27	A	A	-1.0044
28	F	A	0.0000
29	D	A	-2.4961
30	S	A	-1.2407
31	F	A	0.0000
32	A	A	0.0000
33	I	A	0.0000
34	A	A	0.0000
35	Y	A	1.0569
36	P	A	-0.1002
37	E	A	-0.8083
38	W	A	0.1575
39	P	A	-0.4805
40	P	A	-1.2792
41	Q	A	-1.9272
42	G	A	-1.8515
43	E	A	-1.8268
44	A	A	-0.1388
45	I	A	1.5302
46	V	A	2.2472
47	L	A	1.3321
48	T	A	0.4055
49	V	A	0.0000
50	P	A	-1.1055
51	G	A	0.0000
52	S	A	-1.5853
53	E	A	-1.4587
54	R	A	-1.1374
55	S	A	-0.6089
56	Y	A	-0.7311
57	D	A	-1.7244
58	L	A	0.0000
59	T	A	-1.3791
60	G	A	-1.4137
61	L	A	0.0000
62	K	A	-2.8408
63	P	A	-2.3759
64	G	A	-1.6942
65	T	A	-1.5078
66	E	A	-0.5294
67	Y	A	0.0000
68	F	A	1.1272
69	V	A	0.0000
70	V	A	0.8807
71	I	A	0.0000
72	Y	A	0.7154
73	G	A	0.0000
74	V	A	-0.2560
75	K	A	-1.2629
76	G	A	-1.2985
77	G	A	-0.9232
78	S	A	0.0145
79	Y	A	1.2746
80	S	A	0.0000
81	A	A	0.6143
82	P	A	-0.0120
83	L	A	-0.3642
84	S	A	0.4129
85	A	A	1.3924
86	I	A	2.3039
87	F	A	0.0000
88	T	A	-0.3956
89	T	A	-1.7040