Project name: query_structure

Chain sequence(s)	A: GEILCNLCTGLINTLENLLTTKGADKVKDYISSLCNKASGFIATLCTKVLDFGIDKLIQLIEDKVDANAICAKIHAC
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                                          (00:02:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -3.9824
• Maximal score value: 2.0437
• Average score: -1.2497
• Total score value: -96.2237

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	G	A	-0.8927
2	E	A	-1.4059
3	I	A	0.5019
4	L	A	0.2617
5	C	A	0.0000
6	N	A	-1.2615
7	L	A	-0.1794
8	C	A	-0.2696
9	T	A	-1.2649
10	G	A	-1.0657
11	L	A	0.0000
12	I	A	0.0000
13	N	A	-2.6074
14	T	A	-1.6550
15	L	A	0.0000
16	E	A	-2.9922
17	N	A	-2.2635
18	L	A	-1.3747
19	L	A	-1.5756
20	T	A	-1.7625
21	T	A	-1.2920
22	K	A	-2.3175
23	G	A	-2.0531
24	A	A	-2.5391
25	D	A	-3.6264
26	K	A	-3.1749
27	V	A	0.0000
28	K	A	-2.6828
29	D	A	-2.9374
30	Y	A	-1.3992
31	I	A	0.0000
32	S	A	-1.3933
33	S	A	-1.2987
34	L	A	-0.8485
35	C	A	-1.0217
36	N	A	-2.0295
37	K	A	-2.3090
38	A	A	-0.7317
39	S	A	-0.5053
40	G	A	0.3928
41	F	A	2.0437
42	I	A	0.9786
43	A	A	0.1772
44	T	A	0.0732
45	L	A	0.3173
46	C	A	-0.1906
47	T	A	-0.3139
48	K	A	-1.0364
49	V	A	0.0000
50	L	A	-0.2111
51	D	A	-1.3587
52	F	A	-0.9396
53	G	A	-1.3066
54	I	A	-1.7994
55	D	A	-2.7937
56	K	A	-2.5949
57	L	A	0.0000
58	I	A	0.0000
59	Q	A	-3.2222
60	L	A	-2.6592
61	I	A	-3.2019
62	E	A	-3.9824
63	D	A	-3.7866
64	K	A	-3.4538
65	V	A	-2.6651
66	D	A	-3.0233
67	A	A	0.0000
68	N	A	-2.2657
69	A	A	-1.6404
70	I	A	0.0000
71	C	A	0.0000
72	A	A	-1.6322
73	K	A	-1.8077
74	I	A	0.0000
75	H	A	-1.5459
76	A	A	0.0000
77	C	A	-0.8081