Project name: a162a1178aa69ea

Chain sequence(s)	A: MGSSHHHHHHSSGLVPRGSHMSRRNTDAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQYIRSRKMT
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.6585
• Maximal score value: 1.8716
• Average score: -1.4499
• Total score value: -121.7937

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	0.7772
2	G	A	-0.0991
3	S	A	-0.5439
4	S	A	-1.1375
5	H	A	-1.8585
6	H	A	-2.2372
7	H	A	-2.5215
8	H	A	-2.4168
9	H	A	-2.2407
10	H	A	-1.9583
11	S	A	-1.1341
12	S	A	-0.2383
13	G	A	0.5494
14	L	A	1.8716
15	V	A	1.7736
16	P	A	-0.1008
17	R	A	-1.7634
18	G	A	-1.5357
19	S	A	-1.1393
20	H	A	-1.2106
21	M	A	-0.2864
22	S	A	-1.6659
23	R	A	-3.0403
24	R	A	-3.3861
25	N	A	-2.8377
26	T	A	-1.9739
27	D	A	-2.2703
28	A	A	-1.5537
29	I	A	-0.4236
30	T	A	-0.5943
31	I	A	0.0000
32	H	A	-1.3705
33	S	A	-0.9727
34	I	A	0.0000
35	L	A	-1.4161
36	D	A	-2.8235
37	W	A	-1.9279
38	I	A	0.0000
39	E	A	-3.0413
40	D	A	-3.1414
41	N	A	-2.1812
42	L	A	-2.0706
43	E	A	-2.5500
44	S	A	-1.3993
45	P	A	-0.9094
46	L	A	0.0000
47	S	A	-1.3596
48	L	A	-1.6144
49	E	A	-2.7610
50	K	A	-2.3361
51	V	A	0.0000
52	S	A	-2.2626
53	E	A	-3.1109
54	R	A	-2.1845
55	S	A	-1.5142
56	G	A	-1.3665
57	Y	A	-0.8663
58	S	A	-1.2146
59	K	A	-1.7270
60	W	A	-0.1916
61	H	A	-1.1985
62	L	A	0.0000
63	Q	A	-1.8051
64	R	A	-3.1204
65	M	A	-2.4442
66	F	A	0.0000
67	K	A	-3.5328
68	K	A	-3.6585
69	E	A	-2.8641
70	T	A	-1.9160
71	G	A	-2.3826
72	H	A	-2.5381
73	S	A	-2.1926
74	L	A	0.0000
75	G	A	0.0000
76	Q	A	-2.1595
77	Y	A	-1.3785
78	I	A	0.0000
79	R	A	-2.6021
80	S	A	-1.6186
81	R	A	-2.0649
82	K	A	-2.0866
83	M	A	-0.3116
84	T	A	-0.4097