Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSRVTEDSARLSWTAPDAAFDSFAIGYWEWDDDGEAIVLTVPGSERSYDLTGLKPGTEYPVYIAGVKGGQWSFPLSAIFTT
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -3.2267
• Maximal score value: 2.3894
• Average score: -0.6483
• Total score value: -57.6985

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	1.0078
2	P	A	0.5164
3	A	A	0.5146
4	P	A	0.0000
5	K	A	-1.9900
6	N	A	-1.3237
7	L	A	-0.0747
8	V	A	1.1438
9	V	A	0.6549
10	S	A	-0.6079
11	R	A	-1.9917
12	V	A	-0.9685
13	T	A	-1.7507
14	E	A	-3.0123
15	D	A	-2.6559
16	S	A	-2.0204
17	A	A	0.0000
18	R	A	-1.1969
19	L	A	0.0000
20	S	A	-0.3880
21	W	A	0.0000
22	T	A	-1.2917
23	A	A	-1.4209
24	P	A	-1.3428
25	D	A	-2.2697
26	A	A	-1.4539
27	A	A	-1.1206
28	F	A	0.0000
29	D	A	-2.6329
30	S	A	-1.3088
31	F	A	0.0000
32	A	A	0.0000
33	I	A	0.0000
34	G	A	0.0000
35	Y	A	1.1348
36	W	A	-0.1081
37	E	A	-1.5498
38	W	A	-0.5192
39	D	A	-2.5412
40	D	A	-3.2267
41	D	A	-3.2177
42	G	A	-2.5366
43	E	A	-2.0713
44	A	A	-0.1684
45	I	A	1.3269
46	V	A	1.9836
47	L	A	1.2938
48	T	A	0.3833
49	V	A	0.0000
50	P	A	-1.1074
51	G	A	0.0000
52	S	A	-1.5946
53	E	A	-1.4917
54	R	A	-1.1264
55	S	A	-0.6436
56	Y	A	-0.7149
57	D	A	-1.6438
58	L	A	0.0000
59	T	A	-1.3251
60	G	A	-1.4726
61	L	A	0.0000
62	K	A	-2.9600
63	P	A	-2.5687
64	G	A	-1.8052
65	T	A	-1.9153
66	E	A	-1.0548
67	Y	A	0.0000
68	P	A	0.0000
69	V	A	0.0000
70	Y	A	1.0423
71	I	A	0.0000
72	A	A	0.0000
73	G	A	0.0000
74	V	A	-0.6403
75	K	A	-1.8477
76	G	A	-1.6756
77	G	A	-1.4944
78	Q	A	-1.2959
79	W	A	0.8126
80	S	A	0.0000
81	F	A	2.3894
82	P	A	1.0964
83	L	A	0.3411
84	S	A	0.7905
85	A	A	1.3472
86	I	A	2.0453
87	F	A	0.0000
88	T	A	-0.5464
89	T	A	-1.8378