Project name: 1a374eaf6a042a9

Chain sequence(s)	A: MAKLSTDELLDAFKEMTLLELSDFVKKFEETLKVLENAKKELGLSEEDKKKEAAAKSNEYIVGNKYGPGPGAAGIYKDTVSIMITWKKAADPQLNSS
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                                          (00:02:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)

• Minimal score value: -5.5632
• Maximal score value: 2.0838
• Average score: -1.2194
• Total score value: -118.2771

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	M	A	0.7217
2	A	A	-0.1075
3	K	A	-1.3048
4	L	A	-0.7008
5	S	A	-1.2664
6	T	A	-1.1875
7	D	A	-2.2096
8	E	A	-2.4584
9	L	A	-0.7043
10	L	A	-0.6145
11	D	A	-2.6909
12	A	A	-1.5870
13	F	A	-0.7110
14	K	A	-2.2279
15	E	A	-2.3743
16	M	A	-0.5082
17	T	A	0.2483
18	L	A	1.6686
19	L	A	1.7096
20	E	A	-0.1550
21	L	A	0.4813
22	S	A	0.1764
23	D	A	-1.2191
24	F	A	0.0297
25	V	A	-0.2177
26	K	A	-2.5745
27	K	A	-2.4989
28	F	A	-0.3586
29	E	A	-1.9369
30	E	A	-2.5670
31	T	A	-0.8967
32	L	A	-0.5773
33	K	A	-1.9582
34	V	A	-0.0376
35	L	A	-0.6380
36	E	A	-2.6505
37	N	A	-2.6396
38	A	A	-1.5757
39	K	A	-2.6031
40	K	A	-3.2822
41	E	A	-2.6601
42	L	A	-0.5008
43	G	A	-1.6632
44	L	A	-1.6927
45	S	A	-3.4335
46	E	A	-4.7903
47	E	A	-5.1313
48	D	A	-5.1020
49	K	A	-5.4101
50	K	A	-5.5632
51	K	A	-5.2835
52	E	A	-4.9681
53	A	A	-3.5813
54	A	A	-2.8289
55	A	A	-2.6215
56	K	A	-2.5390
57	S	A	-1.4765
58	N	A	-1.9477
59	E	A	-2.2277
60	Y	A	-0.5025
61	I	A	0.2092
62	V	A	-0.3164
63	G	A	-1.0098
64	N	A	-1.5630
65	K	A	-1.5019
66	Y	A	-0.1618
67	G	A	-0.6127
68	P	A	-0.7352
69	G	A	-0.5049
70	P	A	-0.4931
71	G	A	-0.4218
72	A	A	0.0000
73	A	A	-0.3858
74	G	A	-0.5967
75	I	A	0.1479
76	Y	A	0.4753
77	K	A	-1.0591
78	D	A	-0.8680
79	T	A	0.7570
80	V	A	2.0838
81	S	A	1.2000
82	I	A	1.7356
83	M	A	1.9556
84	I	A	2.0820
85	T	A	1.2847
86	W	A	1.2358
87	K	A	-0.6924
88	K	A	-1.1674
89	A	A	-0.6042
90	A	A	-0.6372
91	D	A	-1.5192
92	P	A	-1.6892
93	Q	A	-1.8046
94	L	A	-1.3817
95	N	A	-1.8785
96	S	A	-1.1644
97	S	A	-0.7470