Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFDISYDEYPEFGEAIVLTVPGSERSYDLTGLKPGTEYLVDIIGVKGGEISLPLSAIFTTGG
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.2521
• Maximal score value: 1.9066
• Average score: -0.5951
• Total score value: -54.7534

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	1.3026
2	L	A	0.8159
3	P	A	0.3172
4	A	A	0.2806
5	P	A	0.0000
6	K	A	-2.1068
7	N	A	-1.5399
8	L	A	-0.2167
9	V	A	1.1790
10	V	A	0.6173
11	S	A	-0.6285
12	R	A	-2.0860
13	V	A	-1.1683
14	T	A	-1.9398
15	E	A	-3.2521
16	D	A	-2.7969
17	S	A	-2.1215
18	A	A	0.0000
19	R	A	-1.2424
20	L	A	0.0000
21	S	A	-0.3414
22	W	A	0.0000
23	T	A	-1.3068
24	A	A	-1.4167
25	P	A	-1.3941
26	D	A	-2.2565
27	A	A	-1.4453
28	A	A	-1.1911
29	F	A	0.0000
30	D	A	-2.6062
31	S	A	-1.2639
32	F	A	0.0000
33	D	A	0.2483
34	I	A	0.0000
35	S	A	0.6764
36	Y	A	0.0000
37	D	A	0.0000
38	E	A	-1.3213
39	Y	A	-0.1714
40	P	A	-0.4783
41	E	A	-1.5551
42	F	A	0.1768
43	G	A	-1.0682
44	E	A	-1.5605
45	A	A	0.0409
46	I	A	1.0796
47	V	A	1.9066
48	L	A	1.1868
49	T	A	0.2941
50	V	A	0.0000
51	P	A	-1.1758
52	G	A	0.0000
53	S	A	-1.5912
54	E	A	-1.6690
55	R	A	-1.1210
56	S	A	-0.6269
57	Y	A	-0.7473
58	D	A	-1.7575
59	L	A	0.0000
60	T	A	-1.3719
61	G	A	-1.4815
62	L	A	0.0000
63	K	A	-3.0885
64	P	A	-2.6494
65	G	A	-1.9400
66	T	A	-2.0022
67	E	A	-1.1055
68	Y	A	0.0000
69	L	A	0.7194
70	V	A	0.0000
71	D	A	0.2815
72	I	A	0.0000
73	I	A	0.7027
74	G	A	0.0000
75	V	A	-0.6737
76	K	A	-1.9101
77	G	A	-1.6937
78	G	A	-1.5206
79	E	A	-1.3222
80	I	A	0.5874
81	S	A	0.0000
82	L	A	1.8458
83	P	A	0.4686
84	L	A	-0.1272
85	S	A	0.2455
86	A	A	0.9950
87	I	A	1.6767
88	F	A	0.0000
89	T	A	-0.5425
90	T	A	0.0000
91	G	A	-2.0086
92	G	A	-1.7961