Project name: 2537bd25a6f3161

Chain sequence(s)	A: MSHHHHHHSGSMDYITFPKPKSKEDLKENMKKYVEWHKSKGWEITLEDIKDWIWSMAELAEPEYPGLKEEAEELIKELEKENS
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                                          (00:03:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:05)

• Minimal score value: -4.3805
• Maximal score value: 1.3509
• Average score: -1.7229
• Total score value: -143.0011

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	0.5447
2	S	A	-0.6256
3	H	A	-1.7444
4	H	A	-2.3526
5	H	A	-2.7729
6	H	A	-2.7899
7	H	A	-2.5949
8	H	A	-2.2602
9	S	A	-1.3428
10	G	A	-1.1141
11	S	A	-0.4984
12	M	A	0.3826
13	D	A	-0.5145
14	Y	A	1.2349
15	I	A	1.3509
16	T	A	0.4154
17	F	A	-0.2575
18	P	A	-1.2028
19	K	A	-1.6362
20	P	A	0.0000
21	K	A	-2.9268
22	S	A	-2.3518
23	K	A	-3.3554
24	E	A	-3.3607
25	D	A	-3.1384
26	L	A	0.0000
27	K	A	-2.8400
28	E	A	-3.5374
29	N	A	0.0000
30	M	A	-2.0594
31	K	A	-3.0899
32	K	A	-2.8531
33	Y	A	-1.5599
34	V	A	-1.9513
35	E	A	-3.1788
36	W	A	-1.6475
37	H	A	-1.8124
38	K	A	-2.8337
39	S	A	-1.6893
40	K	A	-1.6351
41	G	A	-1.4876
42	W	A	-0.6308
43	E	A	-1.7694
44	I	A	-1.0884
45	T	A	-1.0988
46	L	A	-1.4539
47	E	A	-2.7256
48	D	A	-2.4418
49	I	A	-1.3588
50	K	A	-2.1723
51	D	A	-2.4543
52	W	A	-1.2734
53	I	A	0.0000
54	W	A	-1.2377
55	S	A	-0.7165
56	M	A	0.0000
57	A	A	0.0000
58	E	A	-1.1354
59	L	A	0.1771
60	A	A	0.0000
61	E	A	-1.7016
62	P	A	-1.2385
63	E	A	-2.1481
64	Y	A	-1.5102
65	P	A	-1.6623
66	G	A	-1.7532
67	L	A	0.0000
68	K	A	-2.6505
69	E	A	-3.4320
70	E	A	-3.5706
71	A	A	0.0000
72	E	A	-3.4555
73	E	A	-3.9474
74	L	A	0.0000
75	I	A	-3.2152
76	K	A	-3.9181
77	E	A	-4.1299
78	L	A	0.0000
79	E	A	-4.0499
80	K	A	-4.3805
81	E	A	-4.1910
82	N	A	-3.3250
83	S	A	-2.2548