Project name: query_structure

Chain sequence(s)	A: CMPNQFKCRSSRTCLLPGWVCDGIDDCPDGSDESPANCPTPT
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -3.0229
• Maximal score value: 0.875
• Average score: -0.7752
• Total score value: -32.5567

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	0.4652
2	M	A	0.7638
3	P	A	-0.3808
4	N	A	-0.9653
5	Q	A	-0.1974
6	F	A	-0.6573
7	K	A	-1.9346
8	C	A	0.0000
9	R	A	-3.0229
10	S	A	-2.3067
11	S	A	-2.2591
12	R	A	-2.3823
13	T	A	-1.3743
14	C	A	-0.4443
15	L	A	0.0000
16	L	A	0.8750
17	P	A	-0.1895
18	G	A	-0.1071
19	W	A	0.2118
20	V	A	-0.1814
21	C	A	-0.5777
22	D	A	-1.5240
23	G	A	-0.8802
24	I	A	-0.2189
25	D	A	-2.0784
26	D	A	-1.3924
27	C	A	0.0000
28	P	A	-1.9940
29	D	A	-2.8857
30	G	A	-2.0360
31	S	A	0.0000
32	D	A	0.0000
33	E	A	-1.1580
34	S	A	-0.8391
35	P	A	-0.4164
36	A	A	-0.3282
37	N	A	-0.2908
38	C	A	-0.4695
39	P	A	-0.4329
40	T	A	-0.3148
41	P	A	-0.3800
42	T	A	-0.2525