Project name: ef34c4664506c68

Chain sequence(s)	A: SLKDEIEDILQTFTIIYNFFKEDIESGKMKEEDVLMLIRSNLEYGYGETKAYPIVKPIFDKIVEEGKKEGKNGLEIIEEFIEELKKLAAEA
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                                          (00:04:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:20)

• Minimal score value: -4.9876
• Maximal score value: 1.9534
• Average score: -1.5817
• Total score value: -143.9351

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	S	A	-1.3996
2	L	A	-1.5845
3	K	A	-2.7044
4	D	A	-3.2103
5	E	A	-2.8984
6	I	A	0.0000
7	E	A	-3.4246
8	D	A	-3.4038
9	I	A	0.0000
10	L	A	-1.8695
11	Q	A	-1.6574
12	T	A	-0.5348
13	F	A	0.0000
14	T	A	0.2124
15	I	A	1.9534
16	I	A	1.4476
17	Y	A	0.3052
18	N	A	0.0304
19	F	A	1.5539
20	F	A	-0.2137
21	K	A	-1.5997
22	E	A	-2.9915
23	D	A	-2.7865
24	I	A	0.0000
25	E	A	-3.4725
26	S	A	-2.7161
27	G	A	-2.8384
28	K	A	-3.0638
29	M	A	-2.9908
30	K	A	-3.6653
31	E	A	-3.1724
32	E	A	-2.9954
33	D	A	-2.4669
34	V	A	0.0000
35	L	A	0.0000
36	M	A	-0.6210
37	L	A	-0.4490
38	I	A	0.0000
39	R	A	-1.8442
40	S	A	-0.8735
41	N	A	-0.9970
42	L	A	0.0000
43	E	A	-1.5370
44	Y	A	-0.2361
45	G	A	-0.8500
46	Y	A	-1.3915
47	G	A	-1.5888
48	E	A	-2.3319
49	T	A	-1.9063
50	K	A	-2.1325
51	A	A	0.0000
52	Y	A	-1.0103
53	P	A	-0.5441
54	I	A	0.3406
55	V	A	0.0000
56	K	A	-0.9405
57	P	A	-0.7286
58	I	A	-0.7862
59	F	A	0.0000
60	D	A	-2.4588
61	K	A	-3.1871
62	I	A	0.0000
63	V	A	0.0000
64	E	A	-4.5140
65	E	A	-4.5955
66	G	A	-4.5316
67	K	A	-4.9876
68	K	A	-4.6695
69	E	A	-4.3962
70	G	A	-3.3851
71	K	A	-3.4340
72	N	A	-2.3443
73	G	A	0.0000
74	L	A	0.0000
75	E	A	-2.1368
76	I	A	0.0000
77	I	A	0.0000
78	E	A	-2.4257
79	E	A	-3.1908
80	F	A	0.0000
81	I	A	0.0000
82	E	A	-3.3770
83	E	A	-2.7110
84	L	A	0.0000
85	K	A	-3.4357
86	K	A	-3.2285
87	L	A	-2.1356
88	A	A	0.0000
89	A	A	-2.0255
90	E	A	-2.4586
91	A	A	-1.7209