Project name: query_structure

Chain sequence(s)	A: LPAPKNLVVSEVTEDSLRLSVVTAPDAAFDSFLIQYQESEKVGEAINLTVPGSERSYDLTGLKPGTEYTVSIYGVLGSYVFEHDVMLPLSAEFTT
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                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)

• Minimal score value: -2.9661
• Maximal score value: 1.55
• Average score: -0.8353
• Total score value: -79.3569

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	1.5500
2	P	A	-0.0462
3	A	A	0.2514
4	P	A	0.0000
5	K	A	-1.6996
6	N	A	-1.1009
7	L	A	0.0000
8	V	A	0.7317
9	V	A	-0.3341
10	S	A	-0.9643
11	E	A	-2.1730
12	V	A	-1.1007
13	T	A	-1.7606
14	E	A	-2.9529
15	D	A	-2.5721
16	S	A	-2.1595
17	L	A	0.0000
18	R	A	-2.0247
19	L	A	0.0000
20	S	A	-0.7426
21	V	A	0.0000
22	V	A	-0.4669
23	T	A	-1.1147
24	A	A	-0.9355
25	P	A	-1.0387
26	D	A	-1.6759
27	A	A	-0.8852
28	A	A	-0.6638
29	F	A	0.0000
30	D	A	-1.6725
31	S	A	-1.0494
32	F	A	0.0000
33	L	A	-0.1252
34	I	A	0.0000
35	Q	A	-0.2950
36	Y	A	-0.3970
37	Q	A	-1.3548
38	E	A	-2.1171
39	S	A	-2.0812
40	E	A	-2.5837
41	K	A	-1.9791
42	V	A	-0.0219
43	G	A	-0.8840
44	E	A	-1.9533
45	A	A	-0.6558
46	I	A	0.2027
47	N	A	-0.6377
48	L	A	0.1259
49	T	A	-0.1410
50	V	A	0.0000
51	P	A	-1.3577
52	G	A	-1.5715
53	S	A	-1.6309
54	E	A	-2.1854
55	R	A	-2.0220
56	S	A	-1.5992
57	Y	A	0.0000
58	D	A	-2.4362
59	L	A	0.0000
60	T	A	-1.5323
61	G	A	-1.6272
62	L	A	0.0000
63	K	A	-2.9661
64	P	A	-2.5059
65	G	A	-1.8342
66	T	A	-2.2348
67	E	A	-2.7527
68	Y	A	0.0000
69	T	A	-1.4486
70	V	A	0.0000
71	S	A	0.0000
72	I	A	0.0000
73	Y	A	0.0000
74	G	A	0.0000
75	V	A	-0.0097
76	L	A	0.2845
77	G	A	-0.3421
78	S	A	0.1967
79	Y	A	0.8910
80	V	A	0.4477
81	F	A	0.0000
82	E	A	-1.7416
83	H	A	-1.7915
84	D	A	-1.6116
85	V	A	0.6900
86	M	A	0.5720
87	L	A	0.7791
88	P	A	0.0000
89	L	A	0.1978
90	S	A	-0.2489
91	A	A	-0.7654
92	E	A	-2.1562
93	F	A	0.0000
94	T	A	-1.6340
95	T	A	-1.9111