Project name: query_structure

Chain sequence(s)	A: LPRDTSRCVGYHGYCIRSKVCPKPFAAFGTCSWRQKTCCVDTTSDFHTCQDKGGHCVSPKIRCLEEQLGLCPLKRWTCCKEI
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -2.7717
• Maximal score value: 1.3685
• Average score: -0.825
• Total score value: -67.6529

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	1.0259
2	P	A	-0.3462
3	R	A	-1.7369
4	D	A	0.0000
5	T	A	0.0000
6	S	A	-0.4286
7	R	A	-1.5406
8	C	A	0.0000
9	V	A	1.3685
10	G	A	0.4915
11	Y	A	1.0049
12	H	A	0.4177
13	G	A	0.0000
14	Y	A	1.0622
15	C	A	0.1454
16	I	A	-0.4869
17	R	A	-2.3432
18	S	A	-1.6180
19	K	A	-1.1680
20	V	A	0.5896
21	C	A	-0.1210
22	P	A	-0.7900
23	K	A	-1.6921
24	P	A	-1.3590
25	F	A	-0.6595
26	A	A	-0.6627
27	A	A	-0.2718
28	F	A	0.0000
29	G	A	-1.1203
30	T	A	-1.2174
31	C	A	-0.4781
32	S	A	-1.0254
33	W	A	-1.2575
34	R	A	-2.5175
35	Q	A	-2.4959
36	K	A	-2.4045
37	T	A	-1.3376
38	C	A	0.0000
39	C	A	0.0000
40	V	A	0.0000
41	D	A	-1.3552
42	T	A	-1.1727
43	T	A	-1.0948
44	S	A	-1.3451
45	D	A	-2.1361
46	F	A	-1.0544
47	H	A	-1.5323
48	T	A	-1.6070
49	C	A	0.0000
50	Q	A	-2.7717
51	D	A	-2.5825
52	K	A	-2.2165
53	G	A	-1.9486
54	G	A	-2.2530
55	H	A	-1.3019
56	C	A	-0.1765
57	V	A	0.0000
58	S	A	-1.1351
59	P	A	-1.5869
60	K	A	-1.8267
61	I	A	-0.8718
62	R	A	-1.4568
63	C	A	-0.4628
64	L	A	0.3342
65	E	A	-1.6425
66	E	A	-2.2028
67	Q	A	0.0000
68	L	A	-1.0175
69	G	A	-0.3683
70	L	A	0.7435
71	C	A	0.0000
72	P	A	-0.0540
73	L	A	-0.2292
74	K	A	-1.8329
75	R	A	-2.1955
76	W	A	-1.1895
77	T	A	-0.8034
78	C	A	0.0000
79	C	A	0.0000
80	K	A	-1.6095
81	E	A	-1.5572
82	I	A	0.8331