Project name: query_structure

Chain sequence(s)	A: MCMPCFTTDPNMAKKCRDCCGGNGKCFGPQCLCNR
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -4.1302
• Maximal score value: 1.8148
• Average score: -0.9604
• Total score value: -33.6131

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	M	A	1.2632
2	C	A	0.1006
3	M	A	0.4034
4	P	A	0.5196
5	C	A	0.0000
6	F	A	1.5573
7	T	A	0.5910
8	T	A	0.0837
9	D	A	-0.8428
10	P	A	-1.0013
11	N	A	-1.6353
12	M	A	-1.1183
13	A	A	-1.6042
14	K	A	-3.4629
15	K	A	-2.4264
16	C	A	0.0000
17	R	A	-4.1302
18	D	A	-3.5856
19	C	A	-1.6704
20	C	A	-2.0259
21	G	A	-2.0186
22	G	A	-2.8874
23	N	A	-3.3066
24	G	A	-2.5398
25	K	A	-1.1690
26	C	A	0.6227
27	F	A	1.8148
28	G	A	0.4990
29	P	A	0.2375
30	Q	A	0.3125
31	C	A	0.0000
32	L	A	0.2494
33	C	A	-1.3600
34	N	A	-2.6988
35	R	A	-2.3843