Project name: c948e0a652475ec

Chain sequence(s)	A: MSHHHHHHSGMMSELAKEIEELAKELAVHHTEYHRDTPDTVLHMYYVMDENDELWVVEVTVDGEGNSEVRMYNWNHEELSPEEALEKLKELKEKSKNS
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                                          (00:03:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:40)

• Minimal score value: -4.4072
• Maximal score value: 0.6693
• Average score: -1.7487
• Total score value: -171.3682

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	0.5466
2	S	A	-0.6341
3	H	A	-1.7556
4	H	A	-2.3675
5	H	A	-2.7774
6	H	A	-2.7916
7	H	A	-2.5324
8	H	A	-2.2103
9	S	A	-1.3109
10	G	A	-1.1237
11	M	A	0.0010
12	M	A	-0.8430
13	S	A	-1.2946
14	E	A	-2.2427
15	L	A	-1.7907
16	A	A	0.0000
17	K	A	-2.6986
18	E	A	-2.8191
19	I	A	0.0000
20	E	A	0.0000
21	E	A	-3.4086
22	L	A	-2.5492
23	A	A	0.0000
24	K	A	-3.1829
25	E	A	-2.7931
26	L	A	-1.1933
27	A	A	-0.4446
28	V	A	0.6693
29	H	A	-0.6437
30	H	A	-1.5963
31	T	A	-1.2549
32	E	A	-1.9104
33	Y	A	-1.0005
34	H	A	-2.5491
35	R	A	-3.4855
36	D	A	-3.1424
37	T	A	-2.3962
38	P	A	-2.3510
39	D	A	-3.2701
40	T	A	0.0000
41	V	A	-1.5254
42	L	A	-0.8850
43	H	A	-0.9663
44	M	A	-0.9376
45	Y	A	0.0000
46	Y	A	0.2893
47	V	A	0.0000
48	M	A	-0.6632
49	D	A	-2.4606
50	E	A	-3.5601
51	N	A	-3.2238
52	D	A	-3.2074
53	E	A	-2.0616
54	L	A	-0.4373
55	W	A	0.0000
56	V	A	0.0000
57	V	A	0.0000
58	E	A	-1.0583
59	V	A	0.0000
60	T	A	-1.1363
61	V	A	-1.1494
62	D	A	-2.4479
63	G	A	-2.4554
64	E	A	-2.6270
65	G	A	-1.5749
66	N	A	-1.3695
67	S	A	-1.1666
68	E	A	-1.9043
69	V	A	0.0000
70	R	A	-1.9326
71	M	A	0.0000
72	Y	A	-1.6652
73	N	A	0.0000
74	W	A	-0.3224
75	N	A	-1.9071
76	H	A	-2.4564
77	E	A	-3.1087
78	E	A	-3.2358
79	L	A	-2.4704
80	S	A	-2.0223
81	P	A	-2.3683
82	E	A	-3.1074
83	E	A	-3.6592
84	A	A	0.0000
85	L	A	-2.6195
86	E	A	-3.8450
87	K	A	-2.9135
88	L	A	0.0000
89	K	A	-3.5634
90	E	A	-4.1902
91	L	A	0.0000
92	K	A	-3.7280
93	E	A	-4.4072
94	K	A	-4.2203
95	S	A	-3.3363
96	K	A	-3.5525
97	N	A	-3.1367
98	S	A	-1.9241