Project name: cb9ec9f9ac5b009

Chain sequence(s)	A: MGEMFKFIYTFILFVHLFLVVIFEDIGHIKYCGIVDDCYKSKKPLFKIWKCVENVCVLWYK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -2.9094
• Maximal score value: 5.5147
• Average score: 1.386
• Total score value: 84.5459

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	0.8050
2	G	A	-0.0410
3	E	A	-0.4554
4	M	A	2.0585
5	F	A	2.8659
6	K	A	1.1306
7	F	A	3.5015
8	I	A	4.8493
9	Y	A	4.5158
10	T	A	4.0299
11	F	A	5.3802
12	I	A	5.0988
13	L	A	4.8136
14	F	A	5.2683
15	V	A	4.1978
16	H	A	3.5225
17	L	A	5.0392
18	F	A	5.5147
19	L	A	4.3408
20	V	A	4.4099
21	V	A	3.8973
22	I	A	3.2113
23	F	A	2.9076
24	E	A	-0.0501
25	D	A	-0.4303
26	I	A	1.3006
27	G	A	-0.3081
28	H	A	-0.7951
29	I	A	0.4570
30	K	A	-0.0456
31	Y	A	0.8364
32	C	A	0.0000
33	G	A	0.2470
34	I	A	1.8240
35	V	A	1.0675
36	D	A	-1.0435
37	D	A	-0.7335
38	C	A	0.0000
39	Y	A	-1.0913
40	K	A	-2.5534
41	S	A	-2.3247
42	K	A	-2.9094
43	K	A	-2.3813
44	P	A	-0.1410
45	L	A	1.5951
46	F	A	2.1569
47	K	A	0.6651
48	I	A	1.9170
49	W	A	1.5073
50	K	A	0.4787
51	C	A	0.5825
52	V	A	0.5076
53	E	A	-1.6588
54	N	A	-0.8072
55	V	A	0.4553
56	C	A	0.0000
57	V	A	1.4148
58	L	A	1.6833
59	W	A	1.5338
60	Y	A	1.3446
61	K	A	-0.6174