Project name: 5be2f92982b9d18

Chain sequence(s)	A: MEKEKKTESEQGKVNLEGLPTEDSPYVKYKDLEDYKQQGYGTQGHQEPKTGRGAGATEAPTLSGAAFSSKSQATATGATNHK
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: -4.3252
• Maximal score value: 1.4687
• Average score: -1.3983
• Total score value: -114.6607

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	-0.4953
2	E	A	-2.7710
3	K	A	-3.8679
4	E	A	-4.2622
5	K	A	-4.3252
6	K	A	-3.8897
7	T	A	-2.7928
8	E	A	-3.4272
9	S	A	-2.6658
10	E	A	-3.4568
11	Q	A	-2.7475
12	G	A	-1.9511
13	K	A	-1.7012
14	V	A	0.3469
15	N	A	-0.6180
16	L	A	0.6292
17	E	A	-1.0599
18	G	A	-0.4318
19	L	A	0.7032
20	P	A	-0.6653
21	T	A	-0.9100
22	E	A	-2.5396
23	D	A	-2.5871
24	S	A	-1.0238
25	P	A	-0.4867
26	Y	A	0.8440
27	V	A	-0.2795
28	K	A	-1.9604
29	Y	A	-1.4213
30	K	A	-2.3690
31	D	A	-2.3143
32	L	A	-0.5606
33	E	A	-2.2156
34	D	A	-2.0522
35	Y	A	-1.0141
36	K	A	-1.2772
37	Q	A	-1.6337
38	Q	A	-1.7637
39	G	A	-0.7867
40	Y	A	0.1873
41	G	A	-0.9764
42	T	A	-1.2961
43	Q	A	-2.0643
44	G	A	-2.1614
45	H	A	-2.7168
46	Q	A	-3.1569
47	E	A	-3.3072
48	P	A	-2.7533
49	K	A	-3.1036
50	T	A	-2.0881
51	G	A	-2.0334
52	R	A	-2.8344
53	G	A	-1.8450
54	A	A	-0.9424
55	G	A	-1.3410
56	A	A	-0.5023
57	T	A	-0.8851
58	E	A	-1.7572
59	A	A	-0.7219
60	P	A	-0.3747
61	T	A	0.1957
62	L	A	1.3667
63	S	A	0.4872
64	G	A	0.4049
65	A	A	0.5665
66	A	A	0.9314
67	F	A	1.4687
68	S	A	-0.0531
69	S	A	-0.8154
70	K	A	-1.8201
71	S	A	-1.4311
72	Q	A	-1.8055
73	A	A	-0.8658
74	T	A	-0.4663
75	A	A	-0.2794
76	T	A	-0.2756
77	G	A	-0.6361
78	A	A	-0.6818
79	T	A	-1.2684
80	N	A	-2.2611
81	H	A	-2.4375
82	K	A	-2.5095