Project name: query_structure

Chain sequence(s)	A: CRIPNQKCFQHLDDCCSRKCNRFNKCVLPETGGG
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.4463
• Maximal score value: 0.2503
• Average score: -1.0691
• Total score value: -36.3505

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	C	A	-0.1445
2	R	A	-1.1858
3	I	A	0.2503
4	P	A	0.0000
5	N	A	-1.6743
6	Q	A	-1.7210
7	K	A	-1.9758
8	C	A	0.0000
9	F	A	-0.5893
10	Q	A	-1.2088
11	H	A	-1.4559
12	L	A	-1.2814
13	D	A	-2.4463
14	D	A	-1.9052
15	C	A	0.0000
16	C	A	-0.9781
17	S	A	-1.5218
18	R	A	-2.4000
19	K	A	-1.9964
20	C	A	-1.3366
21	N	A	-1.5037
22	R	A	-1.4853
23	F	A	0.0502
24	N	A	-1.4583
25	K	A	-1.9162
26	C	A	0.0000
27	V	A	-0.5643
28	L	A	-0.1245
29	P	A	-0.9934
30	E	A	-1.8936
31	T	A	-1.0524
32	G	A	-0.6732
33	G	A	-0.6690
34	G	A	-0.4959