Project name: query_structure

Chain sequence(s)	A: RRTCHCRSRCLRRESNSGSCNINGRIFSLCCR
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -3.2564
• Maximal score value: 0.58
• Average score: -1.3078
• Total score value: -41.8504

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	R	A	-2.7130
2	R	A	-3.1606
3	T	A	-1.9264
4	C	A	-1.5509
5	H	A	-1.3186
6	C	A	-0.5999
7	R	A	-1.2901
8	S	A	-1.1124
9	R	A	-1.7677
10	C	A	-1.2912
11	L	A	-0.6346
12	R	A	-2.4406
13	R	A	-2.9276
14	E	A	-2.4878
15	S	A	-2.0150
16	N	A	-2.2344
17	S	A	-1.1651
18	G	A	-0.4147
19	S	A	-0.1563
20	C	A	-0.1712
21	N	A	-0.9893
22	I	A	-0.6711
23	N	A	-1.6493
24	G	A	-1.5158
25	R	A	-1.6433
26	I	A	0.5800
27	F	A	-0.2509
28	S	A	-0.6856
29	L	A	-0.3906
30	C	A	0.0000
31	C	A	0.0000
32	R	A	-3.2564