Project name: fcdb09298dea841

Chain sequence(s)	A: MSHHHHHHSGMPSREEVEARVREHLQHGGTMEEWEELEVQLAEVLGEEKYRSMTSREWNEYIRRLAEPPNS
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.8971
• Maximal score value: 0.5418
• Average score: -2.008
• Total score value: -142.5675

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	0.5418
2	S	A	-0.6278
3	H	A	-1.7413
4	H	A	-2.3593
5	H	A	-2.7496
6	H	A	-2.8123
7	H	A	-2.5125
8	H	A	-2.0099
9	S	A	-1.0669
10	G	A	-0.4040
11	M	A	0.1118
12	P	A	-0.9588
13	S	A	-1.3156
14	R	A	-2.4370
15	E	A	-3.0903
16	E	A	-2.7190
17	V	A	0.0000
18	E	A	-2.4412
19	A	A	-2.4608
20	R	A	-2.9402
21	V	A	0.0000
22	R	A	-3.2359
23	E	A	-3.2840
24	H	A	-2.2660
25	L	A	-1.9569
26	Q	A	-2.8414
27	H	A	-2.2995
28	G	A	-1.4465
29	G	A	-1.3656
30	T	A	-1.0094
31	M	A	-1.0424
32	E	A	-2.9456
33	E	A	-3.0563
34	W	A	-2.1864
35	E	A	-3.0697
36	E	A	-2.9461
37	L	A	-1.9818
38	E	A	-1.2154
39	V	A	-0.0587
40	Q	A	-1.0595
41	L	A	0.0000
42	A	A	-1.3449
43	E	A	-2.1061
44	V	A	-1.4457
45	L	A	0.0000
46	G	A	-2.6619
47	E	A	-3.8369
48	E	A	-3.8971
49	K	A	-3.0906
50	Y	A	-2.3311
51	R	A	-3.0760
52	S	A	-2.1354
53	M	A	-1.6467
54	T	A	-1.6528
55	S	A	-2.0695
56	R	A	-3.1633
57	E	A	-3.0444
58	W	A	0.0000
59	N	A	-3.2793
60	E	A	-3.3115
61	Y	A	-2.3343
62	I	A	-2.4904
63	R	A	-3.5487
64	R	A	-3.6270
65	L	A	0.0000
66	A	A	-2.9507
67	E	A	-3.3492
68	P	A	-2.3041
69	P	A	-1.8153
70	N	A	-1.8447
71	S	A	-0.9499