Project name: 774c7bb3c4b082b

Chain sequence(s)	A: MAKSKEDITYATSQARLSEDEAVRVAYEHGSPLEGGKIADSQPVDLFSSAHNMPKSGQTTMDSNTSDQSQMQRDTQEGGSKEFTTGAPG
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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.5079
• Maximal score value: 2.1024
• Average score: -1.1476
• Total score value: -102.1337

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	0.6380
2	A	A	-0.9808
3	K	A	-2.2281
4	S	A	-2.4247
5	K	A	-2.9669
6	E	A	-3.1903
7	D	A	-2.4241
8	I	A	0.1196
9	T	A	0.5091
10	Y	A	1.5426
11	A	A	0.6608
12	T	A	-0.1261
13	S	A	-0.8923
14	Q	A	-1.6061
15	A	A	-1.0301
16	R	A	-1.9400
17	L	A	-0.8555
18	S	A	-2.0181
19	E	A	-2.8462
20	D	A	-3.1247
21	E	A	-2.8993
22	A	A	-1.0039
23	V	A	-0.0485
24	R	A	-0.8739
25	V	A	0.4931
26	A	A	0.3895
27	Y	A	0.1610
28	E	A	-1.6082
29	H	A	-1.6741
30	G	A	-1.0549
31	S	A	-0.7927
32	P	A	-0.3632
33	L	A	0.0493
34	E	A	-1.7585
35	G	A	-1.1642
36	G	A	-1.1940
37	K	A	-1.6924
38	I	A	0.4868
39	A	A	-0.6697
40	D	A	-1.9252
41	S	A	-1.0438
42	Q	A	-1.6253
43	P	A	-0.4645
44	V	A	1.2226
45	D	A	0.3729
46	L	A	2.1024
47	F	A	1.9103
48	S	A	0.3324
49	S	A	-0.0602
50	A	A	0.1092
51	H	A	-1.0239
52	N	A	-1.4206
53	M	A	-0.4867
54	P	A	-1.1970
55	K	A	-2.1339
56	S	A	-1.4558
57	G	A	-1.6862
58	Q	A	-1.6853
59	T	A	-0.8056
60	T	A	-0.3461
61	M	A	-0.2194
62	D	A	-1.7094
63	S	A	-1.6124
64	N	A	-2.0510
65	T	A	-1.8019
66	S	A	-1.9442
67	D	A	-2.9098
68	Q	A	-2.3944
69	S	A	-1.9819
70	Q	A	-2.0293
71	M	A	-1.1922
72	Q	A	-2.5246
73	R	A	-3.3233
74	D	A	-3.5079
75	T	A	-2.8889
76	Q	A	-3.0922
77	E	A	-3.0401
78	G	A	-2.2096
79	G	A	-2.1804
80	S	A	-1.9059
81	K	A	-2.3650
82	E	A	-1.8702
83	F	A	0.4431
84	T	A	-0.0755
85	T	A	-0.0287
86	G	A	-0.3602
87	A	A	-0.4370
88	P	A	-0.5743
89	G	A	-0.6351