Project name: query_structure

Chain sequence(s)	A: EFHGPSWCLTPADRGLCRANENRFYYNSVIGKCRPFKYSGCGGNENNFTSKQECLRACKKG
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -4.1834
• Maximal score value: 2.4733
• Average score: -1.2562
• Total score value: -76.6284

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	-1.1768
2	F	A	0.3909
3	H	A	-0.7895
4	G	A	-0.4724
5	P	A	-0.1526
6	S	A	-0.2531
7	W	A	0.0562
8	C	A	0.3536
9	L	A	1.6974
10	T	A	0.3129
11	P	A	-0.2822
12	A	A	-1.3017
13	D	A	-2.0325
14	R	A	-2.8024
15	G	A	-1.2744
16	L	A	0.2856
17	C	A	-0.4790
18	R	A	-2.0227
19	A	A	-1.9769
20	N	A	-3.2523
21	E	A	-3.2879
22	N	A	-3.0687
23	R	A	-2.0898
24	F	A	-1.5469
25	Y	A	-1.0135
26	Y	A	-0.2667
27	N	A	0.2487
28	S	A	1.2493
29	V	A	2.4733
30	I	A	1.9803
31	G	A	0.0855
32	K	A	-1.6189
33	C	A	0.0000
34	R	A	-2.2390
35	P	A	-1.9767
36	F	A	-2.2131
37	K	A	-3.4642
38	Y	A	0.0000
39	S	A	-2.1840
40	G	A	-1.2745
41	C	A	0.3689
42	G	A	-0.5900
43	G	A	-1.4234
44	N	A	-2.0453
45	E	A	-2.2576
46	N	A	0.0000
47	N	A	-1.0430
48	F	A	-1.0661
49	T	A	-1.1566
50	S	A	-1.5579
51	K	A	-2.8964
52	Q	A	-3.1952
53	E	A	-3.6611
54	C	A	0.0000
55	L	A	-3.1413
56	R	A	-4.1834
57	A	A	-2.6127
58	C	A	-1.4927
59	K	A	-3.3707
60	K	A	-3.7591
61	G	A	-2.1661