Project name: 119fc9942ee49b3

Chain sequence(s)	A: MDPNCSCASDGSCSCAGACKCKQCKCTSCKKSCCSCCPVGCAKCSQGCICKEASDKCSCCA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX 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 Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.1091
• Maximal score value: 0.8294
• Average score: -1.0246
• Total score value: -62.5033

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.1664
2	D	A	-1.0763
3	P	A	-1.1661
4	N	A	-2.3444
5	C	A	0.0000
6	S	A	-0.9349
7	C	A	-0.6078
8	A	A	-0.7088
9	S	A	-1.3418
10	D	A	-2.1128
11	G	A	-1.6713
12	S	A	-0.9718
13	C	A	-0.6404
14	S	A	-0.1793
15	C	A	-0.2949
16	A	A	-0.4937
17	G	A	-1.0870
18	A	A	-0.6279
19	C	A	-1.0456
20	K	A	-2.3716
21	C	A	0.0000
22	K	A	-3.1091
23	Q	A	-2.9589
24	C	A	-2.5104
25	K	A	-2.4211
26	C	A	-1.4905
27	T	A	-0.8286
28	S	A	-0.8422
29	C	A	-1.3944
30	K	A	-1.8630
31	K	A	-1.6209
32	S	A	-0.1487
33	C	A	0.2471
34	C	A	-0.4326
35	S	A	-1.1411
36	C	A	-1.3843
37	C	A	0.0000
38	P	A	0.3791
39	V	A	0.8294
40	G	A	-0.1709
41	C	A	-0.0820
42	A	A	-0.8798
43	K	A	-1.5966
44	C	A	0.0000
45	S	A	-0.8441
46	Q	A	-1.4946
47	G	A	-0.5437
48	C	A	0.2194
49	I	A	0.7988
50	C	A	-0.5594
51	K	A	-2.2750
52	E	A	-2.7096
53	A	A	-2.0608
54	S	A	-2.2565
55	D	A	-2.8842
56	K	A	-2.8722
57	C	A	-1.3529
58	S	A	-0.4846
59	C	A	-0.0670
60	C	A	-0.1072
61	A	A	-0.0802