Project name: ae1e2211592f2d6

Chain sequence(s)	A: MSHHHHHHSGMEKEVLEVLLYQLEIFLKNDGVFSTEEHEEVDEKVKKLKYPQVYDDVQHKMFLSLFNGVPLEEVLKKMKEWVKEEVKKAEEENS
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                                          (00:05:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:01)

• Minimal score value: -4.8169
• Maximal score value: 1.8642
• Average score: -1.7419
• Total score value: -163.7376

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	0.1026
2	S	A	-1.1336
3	H	A	-2.1509
4	H	A	-2.4360
5	H	A	-2.5660
6	H	A	-2.7360
7	H	A	-2.6453
8	H	A	-2.6511
9	S	A	-2.3899
10	G	A	-2.1299
11	M	A	0.0000
12	E	A	-3.4372
13	K	A	-3.3687
14	E	A	-3.7073
15	V	A	0.0000
16	L	A	-2.1380
17	E	A	-2.6507
18	V	A	0.0000
19	L	A	0.0000
20	L	A	-0.4500
21	Y	A	-0.6184
22	Q	A	0.0000
23	L	A	0.0000
24	E	A	-1.4629
25	I	A	0.0000
26	F	A	0.0601
27	L	A	-0.1873
28	K	A	-1.7721
29	N	A	-1.1131
30	D	A	-1.4472
31	G	A	-0.3247
32	V	A	0.9816
33	F	A	-0.2423
34	S	A	-0.9718
35	T	A	-1.8294
36	E	A	-3.4642
37	E	A	-2.8746
38	H	A	-3.4802
39	E	A	-4.7325
40	E	A	-4.3251
41	V	A	0.0000
42	D	A	-4.5816
43	E	A	-4.8169
44	K	A	-4.0288
45	V	A	-3.6386
46	K	A	-4.0189
47	K	A	-3.9218
48	L	A	0.0000
49	K	A	-2.8038
50	Y	A	0.0000
51	P	A	-2.3045
52	Q	A	-2.1430
53	V	A	0.0000
54	Y	A	0.0000
55	D	A	-2.0036
56	D	A	-1.9104
57	V	A	0.0000
58	Q	A	-1.0866
59	H	A	-1.3028
60	K	A	-0.7280
61	M	A	0.0000
62	F	A	0.8647
63	L	A	1.3804
64	S	A	0.0000
65	L	A	1.0713
66	F	A	1.8642
67	N	A	0.0149
68	G	A	0.0671
69	V	A	-0.0455
70	P	A	-0.8219
71	L	A	-0.8299
72	E	A	-2.3737
73	E	A	-2.2289
74	V	A	0.0000
75	L	A	-1.7953
76	K	A	-3.2805
77	K	A	-2.9083
78	M	A	0.0000
79	K	A	-3.5963
80	E	A	-3.8576
81	W	A	-2.9410
82	V	A	0.0000
83	K	A	-4.0279
84	E	A	-3.9672
85	E	A	-3.2253
86	V	A	0.0000
87	K	A	-4.0859
88	K	A	-4.4880
89	A	A	-3.6329
90	E	A	-3.4995
91	E	A	-4.2918
92	E	A	-4.1157
93	N	A	-3.1611
94	S	A	-2.2446