Project name: 10eec93d428a72c

Chain sequence(s)	A: MSHHHHHHSGSEEARKEEEEVMIKRAIYHANKMFPNSTLVEKWEEYKSMEYEELIKKLEEEVKKLSETLPKEVGEVRLNNALGWIDHARWWVFEHPRNS
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                                          (00:05:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:21)

• Minimal score value: -3.7923
• Maximal score value: 0.565
• Average score: -1.7243
• Total score value: -170.7019

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	0.5650
2	S	A	-0.6105
3	H	A	-1.6809
4	H	A	-2.2756
5	H	A	-2.7460
6	H	A	-2.7778
7	H	A	-2.6202
8	H	A	-2.6251
9	S	A	-2.2482
10	G	A	-2.2483
11	S	A	-2.5697
12	E	A	-3.0178
13	E	A	-3.5859
14	A	A	-2.7588
15	R	A	-3.3016
16	K	A	-3.7006
17	E	A	-3.7923
18	E	A	-2.9176
19	E	A	0.0000
20	E	A	-2.7447
21	V	A	-1.7197
22	M	A	-1.3681
23	I	A	0.0000
24	K	A	-1.7469
25	R	A	-1.5682
26	A	A	0.0000
27	I	A	0.0000
28	Y	A	-0.3374
29	H	A	-0.8683
30	A	A	0.0000
31	N	A	-1.1104
32	K	A	-1.7206
33	M	A	-0.9131
34	F	A	0.0000
35	P	A	-1.1559
36	N	A	-1.6087
37	S	A	0.0000
38	T	A	-1.1299
39	L	A	0.0000
40	V	A	-0.8380
41	E	A	-2.2884
42	K	A	-2.7957
43	W	A	-2.7217
44	E	A	-3.6708
45	E	A	-3.6857
46	Y	A	0.0000
47	K	A	-3.4491
48	S	A	-2.1880
49	M	A	-2.4746
50	E	A	-2.7696
51	Y	A	-2.3861
52	E	A	-2.7639
53	E	A	-3.3667
54	L	A	0.0000
55	I	A	0.0000
56	K	A	-3.7305
57	K	A	-3.2421
58	L	A	0.0000
59	E	A	-3.3341
60	E	A	-3.5665
61	E	A	-2.7543
62	V	A	0.0000
63	K	A	-3.2932
64	K	A	-2.9953
65	L	A	-1.8327
66	S	A	0.0000
67	E	A	-2.8914
68	T	A	-1.3942
69	L	A	-1.4309
70	P	A	-1.8044
71	K	A	-2.9992
72	E	A	-2.4218
73	V	A	-0.8455
74	G	A	0.0000
75	E	A	-2.4637
76	V	A	-0.2207
77	R	A	-1.1932
78	L	A	-1.6910
79	N	A	-1.6194
80	N	A	-1.5517
81	A	A	0.0000
82	L	A	-1.3530
83	G	A	-1.5357
84	W	A	-0.9432
85	I	A	0.0000
86	D	A	-2.2140
87	H	A	-1.5647
88	A	A	0.0000
89	R	A	-1.7748
90	W	A	-0.8538
91	W	A	-0.9178
92	V	A	-1.1140
93	F	A	-0.5094
94	E	A	-1.8143
95	H	A	-1.5920
96	P	A	-1.8994
97	R	A	-2.9841
98	N	A	-2.4458
99	S	A	-1.6080