Project name: 9385d21b79b164d

Chain sequence(s)	A: RLEETWELLEKYLEEKRKLKLEIGKLEAELAALEEKYREESETATPEESYELLEKYLEEKRKLNLKIGKLEKKIEELEDEYREAIE
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                                          (00:03:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:21)

• Minimal score value: -5.3415
• Maximal score value: 0.0
• Average score: -2.795
• Total score value: -240.3704

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	R	A	-1.9961
2	L	A	-0.4493
3	E	A	-1.9624
4	E	A	-2.3971
5	T	A	-1.3288
6	W	A	-0.9380
7	E	A	-2.4899
8	L	A	-1.4690
9	L	A	-1.1458
10	E	A	-2.8528
11	K	A	-3.1878
12	Y	A	-2.4180
13	L	A	-2.4868
14	E	A	-4.2560
15	E	A	-3.8380
16	K	A	-3.6793
17	R	A	-3.7508
18	K	A	-3.4648
19	L	A	-2.7566
20	K	A	-2.7214
21	L	A	-1.2637
22	E	A	-2.1739
23	I	A	0.0000
24	G	A	-2.1315
25	K	A	-2.7875
26	L	A	-2.6725
27	E	A	-3.1312
28	A	A	-2.4300
29	E	A	-3.1581
30	L	A	-3.0872
31	A	A	-2.1570
32	A	A	-2.1303
33	L	A	-2.5997
34	E	A	-3.4473
35	E	A	-4.6009
36	K	A	-4.4464
37	Y	A	-3.9401
38	R	A	-5.0117
39	E	A	-5.3415
40	E	A	-4.5839
41	S	A	-3.5685
42	E	A	-3.4782
43	T	A	-2.2405
44	A	A	-2.3067
45	T	A	-1.7345
46	P	A	-1.6861
47	E	A	-2.5798
48	E	A	-2.6244
49	S	A	-2.2759
50	Y	A	-1.0164
51	E	A	-2.6861
52	L	A	-2.4259
53	L	A	-1.6126
54	E	A	-2.7380
55	K	A	-3.2738
56	Y	A	0.0000
57	L	A	-2.8073
58	E	A	-4.2285
59	E	A	-4.3880
60	K	A	-3.9130
61	R	A	-3.8893
62	K	A	-3.6460
63	L	A	0.0000
64	N	A	-2.6230
65	L	A	-1.2610
66	K	A	-2.5024
67	I	A	0.0000
68	G	A	-2.2976
69	K	A	-3.2888
70	L	A	-3.1227
71	E	A	-3.8736
72	K	A	-4.7156
73	K	A	-4.3172
74	I	A	0.0000
75	E	A	-5.0222
76	E	A	-4.8724
77	L	A	0.0000
78	E	A	-4.3786
79	D	A	-5.2168
80	E	A	-4.4870
81	Y	A	-3.3694
82	R	A	-4.2304
83	E	A	-4.2044
84	A	A	-2.3862
85	I	A	-1.7380
86	E	A	-2.6605