Project name: 230114ddf6224da

Chain sequence(s)	A: PQRARCNSTRCALDCWLANWRTGNCDGSTCRCH
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.0706
• Maximal score value: 1.6964
• Average score: -1.2782
• Total score value: -42.1806

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
41	P	A	-1.9061
42	Q	A	-2.3090
43	R	A	-2.9359
44	A	A	-2.7903
45	R	A	-3.0706
46	C	A	0.0000
47	N	A	-2.8020
48	S	A	-1.7894
49	T	A	-1.3506
50	R	A	-2.7474
51	C	A	0.0000
52	A	A	-0.3012
53	L	A	1.2212
54	D	A	-0.4312
55	C	A	0.0000
56	W	A	1.3935
57	L	A	1.6964
58	A	A	0.4230
59	N	A	-0.5583
60	W	A	0.0287
61	R	A	-1.2021
62	T	A	-1.3229
63	G	A	-1.6923
64	N	A	-2.5669
65	C	A	-2.4396
66	D	A	-2.1500
67	G	A	-1.4372
68	S	A	-1.7949
69	T	A	-2.5842
70	C	A	0.0000
71	R	A	-2.9278
72	C	A	-1.9646
73	H	A	-1.8689