Project name: f03e761473a901f

Chain sequence(s)	A: AEGYQYRALYDYKKEREEDIDLHLGDILTVNKGSLVALGFSDGQEARPEEIGWLNGYNETTGERGDFPGTYVEYIGRKKISPP
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -4.6359
• Maximal score value: 1.988
• Average score: -1.0256
• Total score value: -85.1228

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
3	A	A	-0.9584
4	E	A	-2.3176
5	G	A	0.0000
6	Y	A	0.0000
7	Q	A	0.0000
8	Y	A	0.0000
9	R	A	-1.0033
10	A	A	0.0000
11	L	A	0.7033
12	Y	A	1.1130
13	D	A	-1.1709
14	Y	A	-1.6257
15	K	A	-3.3235
16	K	A	-4.1252
17	E	A	-4.2925
18	R	A	-4.6359
19	E	A	-4.2347
20	E	A	-4.1069
21	D	A	0.0000
22	I	A	0.0000
23	D	A	-2.5108
24	L	A	0.0000
25	H	A	-0.5277
26	L	A	1.1903
27	G	A	0.2909
28	D	A	0.0000
29	I	A	-0.4699
30	L	A	0.0000
31	T	A	-1.1999
32	V	A	0.0000
33	N	A	-1.7619
34	K	A	-1.7602
35	G	A	-0.5627
36	S	A	-0.1191
37	L	A	0.0000
38	V	A	1.6219
39	A	A	1.2923
40	L	A	1.9880
41	G	A	0.8081
42	F	A	0.3983
43	S	A	-0.5808
44	D	A	-2.1456
45	G	A	-1.7325
46	Q	A	-2.2612
47	E	A	-2.0848
48	A	A	-1.9754
49	R	A	-3.4204
50	P	A	0.0000
51	E	A	-3.1116
52	E	A	-3.1392
53	I	A	-1.4477
54	G	A	-0.9948
55	W	A	-0.0695
56	L	A	0.0000
57	N	A	-1.0236
58	G	A	0.0000
59	Y	A	-1.1329
60	N	A	0.0000
61	E	A	-2.1373
62	T	A	-1.1457
63	T	A	-1.5016
64	G	A	-2.0246
65	E	A	-3.0269
66	R	A	-3.0705
67	G	A	0.0000
68	D	A	-2.1208
69	F	A	0.0000
70	P	A	0.0000
71	G	A	0.0000
72	T	A	-1.0319
73	Y	A	0.0298
74	V	A	0.0000
75	E	A	-2.0347
76	Y	A	-0.9824
77	I	A	0.4803
78	G	A	-0.7390
79	R	A	-2.6146
80	K	A	-2.7440
81	K	A	-2.3907
82	I	A	-0.6727
83	S	A	-0.4567
84	P	A	-0.2212
85	P	A	-0.2969