Project name: PZL-test

Chain sequence(s)	A: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN
Selected Chain(s)	A
Distance of aggregation	5 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.                                          (00:00:02)

• Minimal score value: -1.8188
• Maximal score value: 2.3124
• Average score: 0.1075
• Total score value: 4.947

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	T	A	-0.0672
2	T	A	0.1310
3	C	A	0.0000
4	C	A	0.0000
5	P	A	-0.0980
6	S	A	0.2441
7	I	A	2.3124
8	V	A	2.1341
9	A	A	0.0000
10	R	A	-0.4194
11	S	A	-0.4174
12	N	A	-1.0118
13	F	A	0.0000
14	N	A	-0.9517
15	V	A	1.5584
16	C	A	0.2631
17	R	A	-0.5089
18	L	A	1.3551
19	P	A	-0.0551
20	G	A	-0.5155
21	T	A	-0.1453
22	P	A	-0.3806
23	E	A	-0.6958
24	A	A	0.3059
25	I	A	2.0233
26	C	A	0.0000
27	A	A	-0.0073
28	T	A	0.1756
29	Y	A	1.3003
30	T	A	0.1748
31	G	A	-0.3013
32	C	A	0.0000
33	I	A	0.7915
34	I	A	1.4021
35	I	A	0.4999
36	P	A	-0.2666
37	G	A	-0.4344
38	A	A	-0.0280
39	T	A	-0.0158
40	C	A	0.2005
41	P	A	-0.1774
42	G	A	-0.8178
43	D	A	-1.8188
44	Y	A	-0.0184
45	A	A	-0.0233
46	N	A	-0.7493