Project name: 91098a63a7331dd

Chain sequence(s)	A: RDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRGDSPASSKPISINYRTEI
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[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.                                          (00:00:02)

• Minimal score value: -2.872
• Maximal score value: 1.1021
• Average score: -0.8296
• Total score value: -75.4935

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
6	R	A	-2.1818
7	D	A	-2.8720
8	L	A	0.0000
9	E	A	-1.9049
10	V	A	0.1728
11	V	A	1.1021
12	A	A	0.6991
13	A	A	0.2740
14	T	A	-0.1885
15	P	A	-0.6119
16	T	A	-0.7648
17	S	A	-0.5825
18	L	A	0.0000
19	L	A	0.6567
20	I	A	0.0000
21	S	A	-0.9833
22	W	A	0.0000
23	D	A	-2.7559
24	A	A	-1.3192
25	P	A	-0.5539
26	A	A	0.1144
27	V	A	0.5190
28	T	A	-0.3390
29	V	A	-1.0559
30	R	A	-1.9790
31	Y	A	-0.9709
32	Y	A	0.0000
33	R	A	-0.6970
34	I	A	0.0000
35	T	A	-0.4727
36	Y	A	-0.3312
37	G	A	-0.9096
38	E	A	-1.9121
39	T	A	-1.4264
40	G	A	-1.3809
41	G	A	-1.6086
42	N	A	-1.6887
43	S	A	-1.0242
44	P	A	-0.4032
45	V	A	0.3244
46	Q	A	-1.0348
47	E	A	-1.5008
48	F	A	-0.5983
49	T	A	-0.2814
50	V	A	0.0000
51	P	A	-1.1788
52	G	A	-1.3648
53	S	A	-1.3765
54	K	A	-2.0524
55	S	A	-1.4407
56	T	A	-0.7432
57	A	A	-0.1682
58	T	A	0.1076
59	I	A	0.0000
60	S	A	-0.6325
61	G	A	-0.9904
62	L	A	0.0000
63	K	A	-2.0934
64	P	A	-1.0008
65	G	A	-0.7122
66	V	A	-1.2148
67	D	A	-2.3147
68	Y	A	0.0000
69	T	A	-0.8196
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	-0.1925
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0000
77	G	A	-2.2805
78	R	A	-2.8500
79	G	A	-2.3452
80	D	A	-2.6026
81	S	A	-1.2919
82	P	A	-1.0970
83	A	A	-1.1920
84	S	A	-1.2463
85	S	A	-0.9733
86	K	A	-1.8238
87	P	A	-1.0246
88	I	A	-0.9170
89	S	A	-0.8543
90	I	A	-0.7092
91	N	A	-1.7737
92	Y	A	-1.6204
93	R	A	-2.3754
94	T	A	0.0000
95	E	A	-0.8239
96	I	A	0.9664