Project name: Drosomycin

Chain sequence(s)	A: DCLSGRYKGPCAVWDNETCRRVCKEEGRSSGHCSPSLKCWCEGC
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -4.215
• Maximal score value: 1.032
• Average score: -1.3672
• Total score value: -60.1582

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	D	A	-1.9940
2	C	A	-0.4593
3	L	A	-0.3213
4	S	A	0.0000
5	G	A	-1.2937
6	R	A	-2.3952
7	Y	A	-1.3796
8	K	A	-2.2837
9	G	A	-1.4417
10	P	A	-0.6673
11	C	A	0.0000
12	A	A	0.3359
13	V	A	1.0320
14	W	A	0.7018
15	D	A	-1.1308
16	N	A	-2.0745
17	E	A	-3.2387
18	T	A	-2.3370
19	C	A	0.0000
20	R	A	-4.2150
21	R	A	-4.1707
22	V	A	-3.0366
23	C	A	0.0000
24	K	A	-4.1807
25	E	A	-3.8429
26	E	A	-2.8254
27	G	A	-2.4361
28	R	A	-2.7202
29	S	A	-2.2750
30	S	A	-3.0429
31	G	A	0.0000
32	H	A	-1.8602
33	C	A	0.0000
34	S	A	0.0000
35	P	A	-0.0851
36	S	A	-0.1377
37	L	A	0.0945
38	K	A	-0.7755
39	C	A	0.0000
40	W	A	-0.6760
41	C	A	0.0000
42	E	A	-2.9336
43	G	A	-1.6233
44	C	A	-0.4687