Project name: query_structure

Chain sequence(s)	A: AKACTPLLHDCSHDRHSCCRGDMFKYVCDCFYPEGEDKTEVCSCQQPKSHKIAEKIIDKAKTTL
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.8651
• Maximal score value: 1.2812
• Average score: -1.1532
• Total score value: -73.8017

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	A	A	-0.6102
2	K	A	-1.4647
3	A	A	-0.3992
4	C	A	0.0469
5	T	A	-0.7700
6	P	A	-0.2471
7	L	A	0.3133
8	L	A	0.5188
9	H	A	-0.7612
10	D	A	-2.4888
11	C	A	0.0000
12	S	A	-2.6251
13	H	A	-2.8091
14	D	A	-3.7946
15	R	A	-3.5092
16	H	A	-2.6966
17	S	A	-2.0151
18	C	A	-1.5577
19	C	A	-0.8086
20	R	A	-2.2003
21	G	A	-1.6696
22	D	A	-1.6350
23	M	A	0.2904
24	F	A	0.4950
25	K	A	-1.5140
26	Y	A	-0.5112
27	V	A	0.2866
28	C	A	-1.1826
29	D	A	-1.0214
30	C	A	-0.0712
31	F	A	0.5907
32	Y	A	-0.4229
33	P	A	-0.8688
34	E	A	-2.5575
35	G	A	0.0000
36	E	A	-3.4694
37	D	A	-3.8651
38	K	A	-3.6128
39	T	A	-2.4442
40	E	A	-1.9154
41	V	A	-0.5910
42	C	A	-0.9349
43	S	A	0.0000
44	C	A	0.0000
45	Q	A	-0.9077
46	Q	A	-1.2296
47	P	A	-1.4523
48	K	A	-2.5371
49	S	A	-1.7995
50	H	A	-2.1396
51	K	A	-1.9964
52	I	A	0.0946
53	A	A	-0.5799
54	E	A	-1.8861
55	K	A	-1.0779
56	I	A	0.7901
57	I	A	1.0197
58	D	A	-1.2435
59	K	A	-2.0356
60	A	A	-1.3072
61	K	A	-1.8907
62	T	A	-0.7022
63	T	A	0.3008
64	L	A	1.2812