Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIAYPEWPPQGEAIVLTVPGSCRSYDLTGLKPGTEYFVVIYGVKGGSYSAPLSATFTT
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -2.9679
• Maximal score value: 2.2761
• Average score: -0.5291
• Total score value: -47.0907

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	1.3578
2	P	A	0.3286
3	A	A	-0.0120
4	P	A	0.0000
5	K	A	-1.8732
6	N	A	-1.4268
7	L	A	-0.1063
8	V	A	1.0518
9	V	A	0.3754
10	S	A	-0.5900
11	R	A	-2.0105
12	V	A	-0.9892
13	T	A	-1.7424
14	E	A	-2.9679
15	D	A	-2.6235
16	S	A	-2.0278
17	A	A	0.0000
18	R	A	-1.2028
19	L	A	0.0000
20	S	A	-0.1975
21	W	A	0.0000
22	T	A	-1.1120
23	A	A	-1.2531
24	P	A	-1.3824
25	D	A	-2.1441
26	A	A	-1.4236
27	A	A	-1.0117
28	F	A	0.0000
29	D	A	-2.4885
30	S	A	-1.0670
31	F	A	0.0000
32	A	A	0.0000
33	I	A	0.0000
34	A	A	0.0000
35	Y	A	0.9130
36	P	A	0.0429
37	E	A	-0.8465
38	W	A	0.2636
39	P	A	-0.2738
40	P	A	-1.1476
41	Q	A	-1.8322
42	G	A	-1.8058
43	E	A	-1.7905
44	A	A	-0.0674
45	I	A	1.5937
46	V	A	2.2761
47	L	A	1.3543
48	T	A	0.4076
49	V	A	0.0000
50	P	A	-0.7747
51	G	A	0.0000
52	S	A	-1.0629
53	C	A	-0.3969
54	R	A	-0.6420
55	S	A	-0.3098
56	Y	A	-0.5246
57	D	A	-1.6872
58	L	A	0.0000
59	T	A	-1.4068
60	G	A	-1.4595
61	L	A	0.0000
62	K	A	-2.9078
63	P	A	-2.4389
64	G	A	-1.7397
65	T	A	-1.5087
66	E	A	-0.8760
67	Y	A	0.0000
68	F	A	0.5977
69	V	A	0.0000
70	V	A	0.6119
71	I	A	0.0000
72	Y	A	0.7095
73	G	A	0.0000
74	V	A	-0.2564
75	K	A	-1.2440
76	G	A	-1.2834
77	G	A	-0.9115
78	S	A	0.0079
79	Y	A	1.2673
80	S	A	0.0000
81	A	A	0.6055
82	P	A	0.0171
83	L	A	-0.2870
84	S	A	0.0859
85	A	A	0.4460
86	T	A	0.3402
87	F	A	0.0000
88	T	A	-0.8215
89	T	A	-1.7891