Project name: query_structure

Chain sequence(s)	A: YHPIETLVDIFQEYPDEIEYIFKPSAVPLMRGGSNDEGLEVPTEESNITMQIMRIKPHQGQHIGEMSFLQHNKERPKKD
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.7379
• Maximal score value: 1.0444
• Average score: -1.1985
• Total score value: -94.6845

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	Y	A	-0.0314
2	H	A	-0.8519
3	P	A	-0.7709
4	I	A	0.1083
5	E	A	-1.1189
6	T	A	-0.0850
7	L	A	1.0416
8	V	A	0.1760
9	D	A	-0.3166
10	I	A	0.0000
11	F	A	0.6148
12	Q	A	-0.9848
13	E	A	-0.9975
14	Y	A	-0.3489
15	P	A	-0.7765
16	D	A	-1.5741
17	E	A	-0.4401
18	I	A	1.0404
19	E	A	-0.5589
20	Y	A	0.0911
21	I	A	1.0444
22	F	A	0.0000
23	K	A	-1.4706
24	P	A	-1.3688
25	S	A	-0.3605
26	A	A	-0.1216
27	V	A	0.0000
28	P	A	0.0851
29	L	A	0.0000
30	M	A	-0.9948
31	R	A	-1.9913
32	G	A	0.0000
33	G	A	-1.1511
34	S	A	-1.9830
35	N	A	-2.5214
36	D	A	-3.2858
37	E	A	-3.1918
38	G	A	-1.8853
39	L	A	-0.8947
40	E	A	-1.7037
41	V	A	0.0000
42	P	A	-2.3870
43	T	A	-3.0782
44	E	A	-3.7350
45	E	A	-3.6009
46	S	A	-1.9753
47	N	A	-1.3270
48	I	A	-0.3538
49	T	A	-0.7252
50	M	A	-0.8404
51	Q	A	-1.6139
52	I	A	0.0000
53	M	A	-0.4581
54	R	A	-0.7718
55	I	A	-0.6868
56	K	A	-1.3277
57	P	A	-1.3797
58	H	A	-1.9482
59	Q	A	-2.2454
60	G	A	-1.9833
61	Q	A	-1.5801
62	H	A	-0.5074
63	I	A	0.5619
64	G	A	-0.6586
65	E	A	-1.8304
66	M	A	0.0000
67	S	A	-0.8056
68	F	A	0.0000
69	L	A	-0.9262
70	Q	A	-1.7080
71	H	A	-2.8297
72	N	A	-2.9713
73	K	A	-3.2166
74	E	A	-3.6500
75	R	A	-3.1701
76	P	A	-2.9805
77	K	A	-3.7379
78	K	A	-3.6207
79	D	A	-3.0374