Project name: 2e3863c6cac200b

Chain sequence(s)	A: MKKTAIAIAVALAGFATVAQAAVDNKFNKEAIFASIEIINLPNLNGHQVHAFIRSLSDDPSQSANLLAEAKKLNDAQAPKGQAGQHHHHHHGAYPYDVPDYAS
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.3013
• Maximal score value: 3.1783
• Average score: -0.7241
• Total score value: -74.5799

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	-0.1745
2	K	A	-2.0845
3	K	A	-2.1509
4	T	A	-0.7176
5	A	A	0.5867
6	I	A	2.4078
7	A	A	2.2781
8	I	A	3.1783
9	A	A	2.3776
10	V	A	2.7923
11	A	A	1.8742
12	L	A	2.3621
13	A	A	1.3777
14	G	A	1.2586
15	F	A	2.4581
16	A	A	1.3109
17	T	A	0.9896
18	V	A	1.8483
19	A	A	0.6105
20	Q	A	-0.7871
21	A	A	-0.6232
22	A	A	-0.8139
23	V	A	-0.9642
24	D	A	-2.2303
25	N	A	-3.1855
26	K	A	-3.2751
27	F	A	-1.7998
28	N	A	-2.3138
29	K	A	-1.9800
30	E	A	-1.7367
31	A	A	0.0000
32	I	A	1.8277
33	F	A	1.8277
34	A	A	0.0000
35	S	A	1.3706
36	I	A	2.2316
37	E	A	0.4441
38	I	A	0.0000
39	I	A	1.2907
40	N	A	-0.2565
41	L	A	-0.5636
42	P	A	-0.8880
43	N	A	-1.2391
44	L	A	0.0000
45	N	A	-1.7841
46	G	A	-1.5380
47	H	A	-1.9108
48	Q	A	-1.2935
49	V	A	-0.9032
50	H	A	-1.6295
51	A	A	-1.3054
52	F	A	0.0000
53	I	A	-0.4483
54	R	A	-2.5503
55	S	A	-1.9232
56	L	A	0.0000
57	S	A	-1.8530
58	D	A	-2.7966
59	D	A	-2.1136
60	P	A	-2.0605
61	S	A	-1.7478
62	Q	A	-1.6499
63	S	A	0.0000
64	A	A	-0.9912
65	N	A	-1.7930
66	L	A	-1.5110
67	L	A	-1.0070
68	A	A	-1.8413
69	E	A	-3.0054
70	A	A	0.0000
71	K	A	-2.9355
72	K	A	-3.3013
73	L	A	-2.0327
74	N	A	0.0000
75	D	A	-3.1644
76	A	A	-1.8937
77	Q	A	-1.9528
78	A	A	-1.8887
79	P	A	-1.8277
80	K	A	-2.6996
81	G	A	-2.0180
82	Q	A	-2.3428
83	A	A	-1.8516
84	G	A	-1.9417
85	Q	A	-2.4677
86	H	A	-2.5550
87	H	A	-2.7369
88	H	A	-2.7754
89	H	A	-2.8356
90	H	A	-2.5062
91	H	A	-1.8908
92	G	A	-1.0202
93	A	A	0.1944
94	Y	A	1.0637
95	P	A	0.7222
96	Y	A	1.3667
97	D	A	-0.5517
98	V	A	0.6821
99	P	A	-0.1569
100	D	A	-1.0200
101	Y	A	0.6055
102	A	A	-0.0454
103	S	A	-0.0645