Project name: query_structure

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

• Minimal score value: -2.9114
• Maximal score value: 2.4622
• Average score: -0.3873
• Total score value: -37.1765

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	0.7464
2	P	A	-0.0315
3	A	A	-0.7103
4	P	A	0.0000
5	K	A	-1.9496
6	N	A	-2.0372
7	L	A	-0.6850
8	G	A	-0.1761
9	C	A	0.7308
10	F	A	1.2818
11	S	A	-0.2417
12	R	A	-1.0539
13	Y	A	-0.4571
14	R	A	-2.5600
15	R	A	-2.5947
16	L	A	-1.2534
17	S	A	0.0000
18	R	A	-0.6482
19	L	A	0.0000
20	S	A	-0.8251
21	W	A	0.0000
22	E	A	-2.0091
23	T	A	0.0000
24	P	A	-0.0912
25	Y	A	0.7626
26	P	A	0.1840
27	S	A	0.4618
28	L	A	1.2258
29	S	A	-0.2155
30	N	A	-1.3983
31	F	A	0.0000
32	D	A	-2.0900
33	S	A	-0.8264
34	F	A	0.0000
35	L	A	1.2957
36	I	A	0.0000
37	Q	A	0.7250
38	Y	A	0.3755
39	Q	A	-0.8182
40	E	A	-1.8200
41	S	A	-1.5289
42	E	A	-2.5869
43	K	A	-1.9691
44	V	A	-0.0306
45	G	A	-0.9388
46	E	A	-1.7713
47	A	A	-0.2755
48	I	A	0.9518
49	V	A	2.2657
50	L	A	2.2437
51	I	A	2.4622
52	V	A	0.0000
53	P	A	-0.5785
54	G	A	-1.2221
55	S	A	-1.3346
56	E	A	-1.3679
57	R	A	-1.1690
58	S	A	-0.8430
59	Y	A	-0.3470
60	D	A	-0.7078
61	L	A	0.0000
62	T	A	-1.0201
63	G	A	-1.4904
64	L	A	0.0000
65	K	A	-2.9114
66	P	A	-2.2026
67	G	A	-1.7704
68	T	A	0.0000
69	E	A	-1.9764
70	Y	A	0.0000
71	T	A	-0.0205
72	V	A	0.0000
73	S	A	0.2174
74	I	A	0.0000
75	Y	A	0.3088
76	G	A	0.0000
77	V	A	0.0000
78	L	A	-0.4905
79	K	A	-1.2993
80	L	A	0.0545
81	S	A	-0.0220
82	A	A	0.0599
83	A	A	0.4049
84	W	A	0.7393
85	W	A	1.1636
86	P	A	0.3923
87	S	A	0.0000
88	N	A	-0.9701
89	P	A	-0.6963
90	L	A	-0.5715
91	S	A	-0.0831
92	A	A	0.8555
93	I	A	1.6090
94	F	A	0.0000
95	T	A	-0.5881
96	T	A	-1.4183