Project name: 406

Chain sequence(s)	A: DPRLEQLQALLAQVRAGQVKDVYQVLAQVSVLLGQAPKEKSKELLEAATELLKAILRQANPGLLTDEQIEEQAKRILRYLLGFP
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                                          (00:02:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:27)

• Minimal score value: -4.8197
• Maximal score value: 1.2965
• Average score: -1.3147
• Total score value: -110.4389

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	-2.6291
2	P	A	-2.1264
3	R	A	-1.8843
4	L	A	-2.4680
5	E	A	-2.9739
6	Q	A	-2.1009
7	L	A	0.0000
8	Q	A	-2.2051
9	A	A	-1.3276
10	L	A	-1.1947
11	L	A	0.0000
12	A	A	-1.4260
13	Q	A	-2.0578
14	V	A	0.0000
15	R	A	-2.5614
16	A	A	-1.5397
17	G	A	-1.9217
18	Q	A	-2.3301
19	V	A	-2.0543
20	K	A	-2.5379
21	D	A	-1.8211
22	V	A	-0.4809
23	Y	A	0.3512
24	Q	A	-0.9858
25	V	A	0.0000
26	L	A	0.5359
27	A	A	0.3721
28	Q	A	0.0728
29	V	A	0.0000
30	S	A	0.5572
31	V	A	0.9305
32	L	A	0.0000
33	L	A	0.0000
34	G	A	-0.8365
35	Q	A	-1.3852
36	A	A	0.0000
37	P	A	-2.1395
38	K	A	-3.0673
39	E	A	-3.1073
40	K	A	-2.4136
41	S	A	-2.6506
42	K	A	-3.2733
43	E	A	-3.3682
44	L	A	0.0000
45	L	A	-1.8645
46	E	A	-3.0649
47	A	A	0.0000
48	A	A	0.0000
49	T	A	-2.2016
50	E	A	-2.5053
51	L	A	0.0000
52	L	A	0.0000
53	K	A	-2.6513
54	A	A	-1.7631
55	I	A	0.0000
56	L	A	-1.4114
57	R	A	-2.5416
58	Q	A	-2.1613
59	A	A	-0.9169
60	N	A	-0.6629
61	P	A	-0.7534
62	G	A	-0.3955
63	L	A	0.7621
64	L	A	-0.6970
65	T	A	-2.1204
66	D	A	-3.8691
67	E	A	-4.1986
68	Q	A	-3.4498
69	I	A	0.0000
70	E	A	-4.8197
71	E	A	-4.4883
72	Q	A	-3.2191
73	A	A	0.0000
74	K	A	-3.1492
75	R	A	-2.1416
76	I	A	-0.7064
77	L	A	0.0000
78	R	A	-1.0648
79	Y	A	0.6853
80	L	A	0.7068
81	L	A	0.1991
82	G	A	0.3701
83	F	A	1.2965
84	P	A	0.4074