Project name: 2e8aaa54481130

Chain sequence(s)	A: MIIEYDGEIDFTKGRVVLWFSIPGSPPSRLVERFMTELSEYFEDIQIVHINAGKWKNIVDKFNILNVPTLVYLKDGREVGRQNLIRSKEEILKKLKELQE
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -3.5827
• Maximal score value: 1.3056
• Average score: -1.1821
• Total score value: -118.2072

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	0.0856
2	I	A	0.2138
3	I	A	-0.2632
4	E	A	-1.9260
5	Y	A	-2.2885
6	D	A	-2.9645
7	G	A	-2.4375
8	E	A	-2.7328
9	I	A	-2.0669
10	D	A	-2.4292
11	F	A	-2.0139
12	T	A	-2.1701
13	K	A	-2.9631
14	G	A	-2.4065
15	R	A	-2.5723
16	V	A	0.0000
17	V	A	0.0000
18	L	A	0.0000
19	W	A	0.0000
20	F	A	0.0000
21	S	A	0.0000
22	I	A	-0.0216
23	P	A	-0.4162
24	G	A	-0.7137
25	S	A	0.0000
26	P	A	-0.5665
27	P	A	-0.0193
28	S	A	0.0000
29	R	A	-2.0289
30	L	A	-0.7405
31	V	A	0.0000
32	E	A	-2.0309
33	R	A	-2.6367
34	F	A	0.0000
35	M	A	0.0000
36	T	A	-1.2256
37	E	A	-1.7670
38	L	A	0.0000
39	S	A	0.0000
40	E	A	-1.8344
41	Y	A	-0.4000
42	F	A	0.0000
43	E	A	-2.4867
44	D	A	-2.3634
45	I	A	0.0000
46	Q	A	-1.0524
47	I	A	0.0000
48	V	A	0.0000
49	H	A	-0.9786
50	I	A	0.0000
51	N	A	-1.4973
52	A	A	-1.5451
53	G	A	-1.7238
54	K	A	-2.6521
55	W	A	-2.5438
56	K	A	-3.5139
57	N	A	-3.4460
58	I	A	0.0000
59	V	A	-2.7055
60	D	A	-3.5827
61	K	A	-3.4575
62	F	A	0.0000
63	N	A	-2.2046
64	I	A	0.0000
65	L	A	0.4445
66	N	A	-0.3643
67	V	A	0.4304
68	P	A	0.0000
69	T	A	0.0000
70	L	A	0.0000
71	V	A	0.0000
72	Y	A	0.0000
73	L	A	0.0000
74	K	A	-2.5402
75	D	A	-2.4214
76	G	A	-2.4233
77	R	A	-2.6976
78	E	A	-1.4285
79	V	A	0.1242
80	G	A	-0.4411
81	R	A	-0.7295
82	Q	A	-0.5272
83	N	A	-0.1373
84	L	A	0.9483
85	I	A	1.3056
86	R	A	-0.3192
87	S	A	-0.9906
88	K	A	-2.1116
89	E	A	-2.9014
90	E	A	-2.2240
91	I	A	0.0000
92	L	A	-2.0409
93	K	A	-3.2882
94	K	A	-2.6229
95	L	A	0.0000
96	K	A	-3.0154
97	E	A	-3.3140
98	L	A	0.0000
99	Q	A	-2.9193
100	E	A	-2.9125