Project name: 76c23254a9cb825

Chain sequence(s)	A: SLKDELEEIYQTFKIIYDFFKEDIESGKMKGEDVIMLIKSNLDYGYGETKAYPIVKPLFEKIIKEGKKEGKDTVTIIEEFIEKLEELVKET
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                                          (00:04:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:13)

• Minimal score value: -5.0402
• Maximal score value: 1.4074
• Average score: -1.6798
• Total score value: -152.8616

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	-1.4218
2	L	A	-1.5332
3	K	A	-2.9683
4	D	A	-3.3187
5	E	A	-2.9555
6	L	A	0.0000
7	E	A	-3.9956
8	E	A	-3.5441
9	I	A	0.0000
10	Y	A	-2.3440
11	Q	A	-1.7968
12	T	A	-0.7294
13	F	A	0.0000
14	K	A	-0.8541
15	I	A	1.4074
16	I	A	0.9755
17	Y	A	0.0000
18	D	A	-0.8999
19	F	A	1.1135
20	F	A	-0.6297
21	K	A	-1.9144
22	E	A	-3.3346
23	D	A	-3.2337
24	I	A	-3.3137
25	E	A	-3.6931
26	S	A	-2.8451
27	G	A	-2.7619
28	K	A	-3.0958
29	M	A	-2.9716
30	K	A	-3.5070
31	G	A	0.0000
32	E	A	-2.9347
33	D	A	-2.7473
34	V	A	0.0000
35	I	A	0.0000
36	M	A	-0.4465
37	L	A	-0.2831
38	I	A	0.0000
39	K	A	-0.7254
40	S	A	-0.1084
41	N	A	-0.3596
42	L	A	0.0000
43	D	A	-0.4364
44	Y	A	0.3747
45	G	A	-0.4182
46	Y	A	-0.9904
47	G	A	-1.0863
48	E	A	-2.1255
49	T	A	-1.7424
50	K	A	-2.0635
51	A	A	0.0000
52	Y	A	-0.7679
53	P	A	-0.4943
54	I	A	0.3866
55	V	A	0.0000
56	K	A	-0.5848
57	P	A	-0.5790
58	L	A	-0.7223
59	F	A	0.0000
60	E	A	-2.1811
61	K	A	-2.9909
62	I	A	-2.4882
63	I	A	-2.8729
64	K	A	-4.4323
65	E	A	-4.8797
66	G	A	0.0000
67	K	A	-5.0402
68	K	A	-4.7472
69	E	A	-4.6002
70	G	A	-3.7722
71	K	A	-3.4849
72	D	A	-3.0916
73	T	A	-2.6351
74	V	A	0.0000
75	T	A	-1.5078
76	I	A	0.0000
77	I	A	0.0000
78	E	A	-2.5598
79	E	A	-2.4508
80	F	A	0.0000
81	I	A	0.0000
82	E	A	-3.6491
83	K	A	-3.0657
84	L	A	0.0000
85	E	A	-3.7367
86	E	A	-3.8140
87	L	A	-2.7350
88	V	A	0.0000
89	K	A	-3.7119
90	E	A	-3.2227
91	T	A	-2.1713