Project name: 0b888ee0bfbfc8f088e6fa6f0e56ef32

Chain sequence(s)	B: SAVEELAKVKDPEVREVALRVAELEAEHYAARAALAAARAAGASGEEIAALEARIEAVNEEAKELAKKAKKPEESKKAVRLVGEAAREDPSADAAIAALEGSGC
Selected Chain(s)	B
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 B 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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -4.5115
• Maximal score value: 0.049
• Average score: -1.8986
• Total score value: -197.456

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	S	B	-1.1494
2	A	B	0.0000
3	V	B	-1.6927
4	E	B	-2.6229
5	E	B	-2.5008
6	L	B	0.0000
7	A	B	-2.4213
8	K	B	-2.9274
9	V	B	-2.8037
10	K	B	-2.6340
11	D	B	-2.5442
12	P	B	-2.1432
13	E	B	-3.2123
14	V	B	0.0000
15	R	B	-2.6109
16	E	B	-2.7492
17	V	B	-2.1642
18	A	B	0.0000
19	L	B	-1.3821
20	R	B	-1.4573
21	V	B	0.0000
22	A	B	0.0000
23	E	B	-1.6593
24	L	B	0.0000
25	E	B	-1.3743
26	A	B	-1.4187
27	E	B	-1.4137
28	H	B	-1.4556
29	Y	B	-0.2685
30	A	B	-0.4536
31	A	B	0.0000
32	R	B	-1.8701
33	A	B	-0.8257
34	A	B	-0.6943
35	L	B	0.0000
36	A	B	-0.9475
37	A	B	-0.7448
38	A	B	-1.3841
39	R	B	-2.0963
40	A	B	-0.9323
41	A	B	-0.7320
42	G	B	-1.2551
43	A	B	-1.5141
44	S	B	-1.7869
45	G	B	-2.1065
46	E	B	-2.7468
47	E	B	-3.0127
48	I	B	-1.8397
49	A	B	-1.5916
50	A	B	-1.7004
51	L	B	-1.8514
52	E	B	-2.4380
53	A	B	-1.6933
54	R	B	-2.6415
55	I	B	-2.4765
56	E	B	-3.2221
57	A	B	-2.6074
58	V	B	0.0000
59	N	B	-3.3255
60	E	B	-4.0679
61	E	B	-3.3661
62	A	B	-3.0701
63	K	B	-4.1826
64	E	B	-4.3582
65	L	B	-3.1442
66	A	B	-3.2567
67	K	B	-3.8239
68	K	B	-3.7466
69	A	B	-3.8060
70	K	B	-3.6608
71	K	B	-3.8566
72	P	B	-3.7019
73	E	B	-4.1463
74	E	B	-4.5115
75	S	B	0.0000
76	K	B	-3.9354
77	K	B	-3.6372
78	A	B	0.0000
79	V	B	-2.0715
80	R	B	-2.9568
81	L	B	-2.2038
82	V	B	0.0000
83	G	B	-2.0782
84	E	B	-2.7176
85	A	B	0.0000
86	A	B	-2.6551
87	R	B	-3.3720
88	E	B	-3.2401
89	D	B	-2.4876
90	P	B	-1.8577
91	S	B	-1.5532
92	A	B	0.0000
93	D	B	-1.8904
94	A	B	-1.3740
95	A	B	0.0000
96	I	B	-1.0478
97	A	B	-0.9961
98	A	B	-1.5675
99	L	B	0.0000
100	E	B	-2.1980
101	G	B	-1.3225
102	S	B	-1.4992
103	G	B	-1.0480
104	C	B	0.0490