Project name: query_structure

Chain sequence(s)	A: ECVPENGHCRDWYDECCEGFYCSCRQPPKCICRNNN
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.0288
• Maximal score value: 0.3788
• Average score: -1.6857
• Total score value: -60.686

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	E	A	-1.4787
2	C	A	-1.1817
3	V	A	-1.2305
4	P	A	-1.9046
5	E	A	-2.7178
6	N	A	-2.4915
7	G	A	-1.6019
8	H	A	-2.0907
9	C	A	0.0000
10	R	A	-2.2859
11	D	A	-1.6163
12	W	A	0.1744
13	Y	A	0.3788
14	D	A	-1.1989
15	E	A	-2.0371
16	C	A	-1.7811
17	C	A	-1.5102
18	E	A	-2.0090
19	G	A	-1.8281
20	F	A	-1.7035
21	Y	A	-0.7569
22	C	A	-1.6276
23	S	A	-1.3102
24	C	A	-2.1641
25	R	A	-2.8207
26	Q	A	-2.7784
27	P	A	-2.2322
28	P	A	-1.9496
29	K	A	-2.8785
30	C	A	0.0000
31	I	A	-1.7244
32	C	A	0.0000
33	R	A	-2.3131
34	N	A	-3.0288
35	N	A	-2.6733
36	N	A	-2.3139