Project name: query_structure

Chain sequence(s)	A: CRIPNQKCFQHLDDCCSRKCNRFNKCV
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.1309
• Maximal score value: 1.0835
• Average score: -1.0188
• Total score value: -27.507

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	-0.0558
2	R	A	-0.6166
3	I	A	1.0835
4	P	A	-0.3266
5	N	A	-1.5944
6	Q	A	-1.7570
7	K	A	-1.9714
8	C	A	0.0000
9	F	A	0.0202
10	Q	A	-1.8106
11	H	A	-1.4012
12	L	A	-1.2899
13	D	A	-3.1309
14	D	A	-2.4195
15	C	A	0.0000
16	C	A	-0.1827
17	S	A	-0.9705
18	R	A	-3.0058
19	K	A	-3.0302
20	C	A	0.0000
21	N	A	-1.2678
22	R	A	-1.3388
23	F	A	0.3066
24	N	A	-1.1027
25	K	A	-1.7189
26	C	A	0.0000
27	V	A	0.0740