Project name: khj

Chain sequence(s)	A: ALILLMWRTGEIMDYEYFVQYNMMQALHFGKMHLNSCGRQGTGMIRKDGDQGAGEGRDAERLRQKHSDR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -4.845
• Maximal score value: 3.0005
• Average score: -0.9685
• Total score value: -66.8269

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	-0.0835
2	L	A	1.3824
3	I	A	0.0000
4	L	A	2.0496
5	L	A	1.6950
6	M	A	0.5362
7	W	A	0.4855
8	R	A	-0.8285
9	T	A	0.0000
10	G	A	-1.0943
11	E	A	-1.4450
12	I	A	-0.4301
13	M	A	0.0000
14	D	A	0.1238
15	Y	A	1.3497
16	E	A	1.1639
17	Y	A	1.7050
18	F	A	3.0005
19	V	A	2.7159
20	Q	A	0.9759
21	Y	A	1.9817
22	N	A	0.8188
23	M	A	0.0412
24	M	A	0.6039
25	Q	A	0.0824
26	A	A	0.0000
27	L	A	-0.5005
28	H	A	-0.2938
29	F	A	0.3215
30	G	A	0.0000
31	K	A	-1.6711
32	M	A	-0.3022
33	H	A	-0.9019
34	L	A	-1.1136
35	N	A	-1.7709
36	S	A	-1.6063
37	C	A	0.0000
38	G	A	-1.9880
39	R	A	-3.0394
40	Q	A	-2.3318
41	G	A	-1.2336
42	T	A	-0.6891
43	G	A	-0.0758
44	M	A	0.2596
45	I	A	0.4322
46	R	A	-2.2514
47	K	A	-2.4881
48	D	A	0.0000
49	G	A	-1.9669
50	D	A	-3.2025
51	Q	A	-2.4826
52	G	A	-1.7357
53	A	A	-2.0245
54	G	A	-2.3059
55	E	A	-2.9692
56	G	A	-2.7213
57	R	A	-4.2522
58	D	A	-4.4085
59	A	A	0.0000
60	E	A	-4.8450
61	R	A	-4.8020
62	L	A	-3.3035
63	R	A	-3.5868
64	Q	A	-4.2966
65	K	A	-4.0547
66	H	A	0.0000
67	S	A	-2.7436
68	D	A	-3.5880
69	R	A	-3.1232