Project name: 55484f43e1448db

Chain sequence(s)	A: MVTKEQVEASLTSKLKPIHLEVIDISGGCGSSFEVEVVSEQFEGKRLLERHRMVNAALEEEMKEIHALSIKKAQTPQQWKPPSQDSATLTKDA
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: -3.6123
• Maximal score value: 1.605
• Average score: -1.0246
• Total score value: -95.2885

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	0.5735
2	V	A	0.0000
3	T	A	-1.1891
4	K	A	-2.1198
5	E	A	-2.8228
6	Q	A	-2.1542
7	V	A	0.0000
8	E	A	-1.6789
9	A	A	-1.5845
10	S	A	-1.7353
11	L	A	0.0000
12	T	A	-1.1153
13	S	A	-1.4129
14	K	A	-1.8610
15	L	A	0.0000
16	K	A	-2.0607
17	P	A	-0.7022
18	I	A	1.2635
19	H	A	0.3479
20	L	A	-0.2967
21	E	A	-1.0930
22	V	A	0.0000
23	I	A	0.8210
24	D	A	0.5801
25	I	A	1.6050
26	S	A	0.4779
27	G	A	0.0313
28	G	A	-0.0259
29	C	A	0.6802
30	G	A	0.0000
31	S	A	-0.2695
32	S	A	-0.0254
33	F	A	0.0000
34	E	A	-0.2178
35	V	A	0.0000
36	E	A	-1.1924
37	V	A	0.0000
38	V	A	0.0000
39	S	A	0.0000
40	E	A	-2.7218
41	Q	A	-2.4648
42	F	A	0.0000
43	E	A	-3.1793
44	G	A	-2.1633
45	K	A	-2.1218
46	R	A	-1.6557
47	L	A	0.4699
48	L	A	0.6624
49	E	A	-1.2308
50	R	A	0.0000
51	H	A	-1.1147
52	R	A	-1.7920
53	M	A	-1.3184
54	V	A	0.0000
55	N	A	-2.1009
56	A	A	-1.8762
57	A	A	0.0000
58	L	A	0.0000
59	E	A	-3.3805
60	E	A	-3.6123
61	E	A	-2.8006
62	M	A	-2.6716
63	K	A	-3.5893
64	E	A	-3.1108
65	I	A	0.0000
66	H	A	-1.6346
67	A	A	-0.3668
68	L	A	-0.1189
69	S	A	-0.1936
70	I	A	-0.9426
71	K	A	-1.9865
72	K	A	-1.4871
73	A	A	0.0000
74	Q	A	-1.9830
75	T	A	0.0000
76	P	A	-1.6448
77	Q	A	-2.4544
78	Q	A	-2.2780
79	W	A	-1.6375
80	K	A	-2.3313
81	P	A	-1.5358
82	P	A	-1.4822
83	S	A	-1.9178
84	Q	A	-2.3303
85	D	A	-2.5777
86	S	A	-1.1982
87	A	A	-0.4141
88	T	A	-0.1201
89	L	A	0.8823
90	T	A	-0.6664
91	K	A	-2.2636
92	D	A	-2.4341
93	A	A	-1.2219