Project name: c7cee744de29760a79690f3fd0c75471

Chain sequence(s)	B: CGSGSNAEIRARANALIATEASPAFKAAYAAASKVVAAVMAKKGKATEEDIRTLGLEAGFSEEEVEAAVETFRLAVVVTDYVKKELAGTATEEERAAAEAALAA
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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -4.1118
• Maximal score value: 0.4728
• Average score: -1.3669
• Total score value: -142.1599

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	C	B	0.4728
2	G	B	-0.1649
3	S	B	-0.8388
4	G	B	-1.5934
5	S	B	-1.9120
6	N	B	-2.7468
7	A	B	-2.3539
8	E	B	-3.3956
9	I	B	0.0000
10	R	B	-3.6394
11	A	B	-2.6425
12	R	B	-2.7202
13	A	B	0.0000
14	N	B	-2.3961
15	A	B	-1.4246
16	L	B	-1.3994
17	I	B	0.0000
18	A	B	-1.0301
19	T	B	-1.1370
20	E	B	-2.2772
21	A	B	0.0000
22	S	B	-0.7218
23	P	B	-0.6536
24	A	B	-0.2115
25	F	B	0.0000
26	K	B	-0.8074
27	A	B	-0.2099
28	A	B	-0.5382
29	Y	B	-0.2083
30	A	B	-0.3200
31	A	B	-0.7104
32	A	B	0.0000
33	S	B	-0.7141
34	K	B	-1.6713
35	V	B	0.0000
36	V	B	-0.7305
37	A	B	-0.8508
38	A	B	-0.9598
39	V	B	0.0000
40	M	B	-1.2259
41	A	B	-1.2078
42	K	B	-2.4544
43	K	B	-2.7192
44	G	B	-2.1105
45	K	B	-2.3904
46	A	B	-1.7184
47	T	B	-1.7961
48	E	B	-2.7195
49	E	B	-2.6411
50	D	B	0.0000
51	I	B	0.0000
52	R	B	-2.9065
53	T	B	-1.5789
54	L	B	-1.4001
55	G	B	0.0000
56	L	B	-1.5069
57	E	B	-1.6470
58	A	B	-1.0702
59	G	B	-1.0590
60	F	B	-1.7776
61	S	B	-2.5410
62	E	B	-3.7991
63	E	B	-3.9987
64	E	B	-3.9917
65	V	B	0.0000
66	E	B	-4.1118
67	A	B	-3.0074
68	A	B	0.0000
69	V	B	0.0000
70	E	B	-2.8825
71	T	B	0.0000
72	F	B	-1.0753
73	R	B	-1.8941
74	L	B	-0.7215
75	A	B	0.0000
76	V	B	0.0748
77	V	B	-0.2499
78	V	B	0.0000
79	T	B	-1.3544
80	D	B	-1.4470
81	Y	B	0.0000
82	V	B	0.0000
83	K	B	-2.6771
84	K	B	-1.9184
85	E	B	-1.5546
86	L	B	-0.8888
87	A	B	-0.6003
88	G	B	-0.7334
89	T	B	-0.9287
90	A	B	-1.9888
91	T	B	-2.3824
92	E	B	-3.4800
93	E	B	-3.6533
94	E	B	-3.1628
95	R	B	-3.7595
96	A	B	-2.6630
97	A	B	-1.8005
98	A	B	0.0000
99	E	B	-2.5706
100	A	B	-0.9600
101	A	B	0.0000
102	L	B	0.0000
103	A	B	-0.7792
104	A	B	-0.2227