Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFTIQYEELTTVGEAIYLRVPGSERSYDLTGLKPGTEYVVWIEGVKGGLRSNPLGAAFTT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.1516
• Maximal score value: 1.4677
• Average score: -0.6338
• Total score value: -57.0447

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	M	A	0.8214
2	L	A	0.0490
3	P	A	-0.6296
4	A	A	-1.1147
5	P	A	0.0000
6	K	A	-1.9899
7	N	A	-1.3134
8	L	A	0.0312
9	V	A	1.1969
10	V	A	0.4300
11	S	A	-0.6147
12	R	A	-2.0669
13	V	A	-1.1536
14	T	A	-1.8698
15	E	A	-3.1516
16	D	A	-2.8745
17	S	A	-2.1613
18	A	A	0.0000
19	R	A	-1.2357
20	L	A	0.0000
21	S	A	-0.2987
22	W	A	0.0000
23	T	A	-1.2632
24	A	A	-1.4272
25	P	A	-1.4096
26	D	A	-2.2606
27	A	A	-1.4390
28	A	A	-1.2305
29	F	A	0.0000
30	D	A	-2.4473
31	S	A	0.0000
32	F	A	0.0000
33	T	A	0.0000
34	I	A	0.0000
35	Q	A	0.5087
36	Y	A	0.4753
37	E	A	0.1035
38	E	A	-0.1612
39	L	A	1.3237
40	T	A	0.6623
41	T	A	0.6367
42	V	A	1.4677
43	G	A	0.0128
44	E	A	-1.2566
45	A	A	-0.0559
46	I	A	0.8197
47	Y	A	1.1485
48	L	A	0.1682
49	R	A	-1.5466
50	V	A	0.0000
51	P	A	-1.5322
52	G	A	0.0000
53	S	A	-1.5940
54	E	A	-1.5374
55	R	A	-1.1869
56	S	A	-0.6699
57	Y	A	-0.8004
58	D	A	-1.6909
59	L	A	0.0000
60	T	A	-1.3824
61	G	A	-1.5353
62	L	A	0.0000
63	K	A	-3.0824
64	P	A	-2.6012
65	G	A	-1.8382
66	T	A	0.0000
67	E	A	-0.9606
68	Y	A	0.0000
69	V	A	0.2470
70	V	A	0.0000
71	W	A	0.3775
72	I	A	0.0000
73	E	A	-1.1363
74	G	A	0.0000
75	V	A	0.0000
76	K	A	-1.9676
77	G	A	-1.4154
78	G	A	-1.0817
79	L	A	-0.4065
80	R	A	-1.5726
81	S	A	0.0000
82	N	A	-1.2075
83	P	A	-0.9609
84	L	A	-0.4735
85	G	A	0.0651
86	A	A	0.4632
87	A	A	0.3335
88	F	A	0.0000
89	T	A	-0.8852
90	T	A	-1.8955