Project name: e01a153ae1dede1

Chain sequence(s)	A: MGSSHHHHHHSSGLVPRGSHMSRRNTDAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQY
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -3.825
• Maximal score value: 1.7679
• Average score: -1.3609
• Total score value: -104.7905

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	0.7483
2	G	A	-0.2473
3	S	A	-0.6671
4	S	A	-1.1947
5	H	A	-2.0784
6	H	A	-2.4208
7	H	A	-2.6375
8	H	A	-2.6372
9	H	A	-2.4263
10	H	A	-2.0871
11	S	A	-1.1378
12	S	A	-0.2912
13	G	A	0.4738
14	L	A	1.7679
15	V	A	1.6735
16	P	A	-0.0860
17	R	A	-1.6922
18	G	A	-1.4380
19	S	A	-1.1950
20	H	A	-1.2854
21	M	A	-0.4573
22	S	A	-1.6513
23	R	A	-3.0588
24	R	A	-3.1355
25	N	A	-2.3756
26	T	A	-1.4011
27	D	A	-1.3444
28	A	A	-0.5348
29	I	A	0.9565
30	T	A	0.1285
31	I	A	0.0000
32	H	A	-0.8436
33	S	A	-0.8479
34	I	A	0.0000
35	L	A	-1.3690
36	D	A	-2.8987
37	W	A	-2.1317
38	I	A	0.0000
39	E	A	-2.8412
40	D	A	-3.0486
41	N	A	-1.7424
42	L	A	-0.6333
43	E	A	-1.7868
44	S	A	-0.7941
45	P	A	-0.4712
46	L	A	-0.4836
47	S	A	-1.0717
48	L	A	-1.5068
49	E	A	-2.8632
50	K	A	-3.1238
51	V	A	0.0000
52	S	A	0.0000
53	E	A	-3.8250
54	R	A	-3.3277
55	S	A	-2.1448
56	G	A	-1.8883
57	Y	A	-1.3320
58	S	A	-1.4537
59	K	A	-2.1325
60	W	A	-0.4715
61	H	A	-1.3008
62	L	A	0.0000
63	Q	A	-1.9373
64	R	A	-3.1400
65	M	A	-2.2323
66	F	A	0.0000
67	K	A	-3.4883
68	K	A	-3.5685
69	E	A	-2.6253
70	T	A	-1.9232
71	G	A	-2.3686
72	H	A	-2.3888
73	S	A	-1.7651
74	L	A	0.0000
75	G	A	-0.7551
76	Q	A	-1.0081
77	Y	A	0.4763