Project name: query_structure

Chain sequence(s)	A: AGCIETCYTFPCISEMINCSCKNSRCQKNG
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.5194
• Maximal score value: 1.8144
• Average score: -0.3438
• Total score value: -10.3155

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	A	A	-0.1224
2	G	A	-0.6325
3	C	A	0.0000
4	I	A	1.3455
5	E	A	0.7444
6	T	A	0.2511
7	C	A	0.4006
8	Y	A	0.9807
9	T	A	0.9066
10	F	A	1.3873
11	P	A	0.5720
12	C	A	0.0000
13	I	A	1.8144
14	S	A	0.6679
15	E	A	-0.9111
16	M	A	1.0074
17	I	A	0.8209
18	N	A	-1.4371
19	C	A	0.0000
20	S	A	-1.5035
21	C	A	-0.9129
22	K	A	-2.1016
23	N	A	-2.0094
24	S	A	-1.1259
25	R	A	-1.5982
26	C	A	0.0000
27	Q	A	-2.2044
28	K	A	-2.5194
29	N	A	-2.4643
30	G	A	-1.6716