Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSARLSWTAPDAAFDSFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVKGGHRSNPLSAIFTT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.0359
• Maximal score value: 1.8286
• Average score: -0.8609
• Total score value: -76.6162

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	0.1931
2	P	A	-0.3379
3	A	A	-0.8988
4	P	A	0.0000
5	K	A	-1.8523
6	N	A	-1.4300
7	L	A	-0.1323
8	V	A	1.1706
9	V	A	0.5927
10	S	A	-0.6994
11	E	A	-2.0813
12	V	A	-1.0761
13	T	A	-1.8065
14	E	A	-3.0359
15	D	A	-2.6849
16	S	A	-2.1101
17	A	A	0.0000
18	R	A	-1.4692
19	L	A	0.0000
20	S	A	-0.4015
21	W	A	0.0000
22	T	A	-1.2325
23	A	A	-1.3624
24	P	A	-1.3313
25	D	A	-2.2191
26	A	A	-1.4376
27	A	A	-1.0353
28	F	A	0.0000
29	D	A	-2.5793
30	S	A	-1.5889
31	F	A	0.0000
32	L	A	0.2632
33	I	A	0.0000
34	Q	A	0.5025
35	Y	A	0.3962
36	Q	A	-0.8229
37	E	A	-1.8184
38	S	A	-1.5039
39	E	A	-2.7126
40	K	A	-2.3636
41	V	A	-0.0842
42	G	A	-1.0693
43	E	A	-1.4889
44	A	A	-0.2600
45	I	A	0.9426
46	V	A	1.7369
47	L	A	1.2168
48	T	A	0.3985
49	V	A	0.0000
50	P	A	-1.0796
51	G	A	0.0000
52	S	A	-1.5692
53	E	A	-1.4674
54	R	A	-0.8922
55	S	A	-0.6521
56	Y	A	-0.7647
57	D	A	-1.7705
58	L	A	0.0000
59	T	A	-1.3746
60	G	A	-1.4832
61	L	A	0.0000
62	K	A	-3.0144
63	P	A	-2.6326
64	G	A	-1.8782
65	T	A	-2.4138
66	E	A	-1.9640
67	Y	A	0.0000
68	T	A	0.0367
69	V	A	0.0000
70	S	A	0.0000
71	I	A	0.0000
72	Y	A	0.0000
73	G	A	0.0000
74	V	A	-1.8995
75	K	A	-2.2859
76	G	A	-1.9957
77	G	A	-2.0490
78	H	A	-2.4190
79	R	A	-2.6339
80	S	A	0.0000
81	N	A	-1.4897
82	P	A	-1.1391
83	L	A	-0.6824
84	S	A	0.0922
85	A	A	1.1982
86	I	A	1.8286
87	F	A	0.0000
88	T	A	-0.7942
89	T	A	-1.9137