Project name: 4d4a01162a08255ea7902f616689dd00

Chain sequence(s)	B: CGSGLAPNNKISEEAAKNVAEYYEETKKKYEEGKASEEELKEAEKLAENVKEAAKKSGTKFKEP
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]                                                (00:00:01)
[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 B 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                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:49)

• Minimal score value: -4.9936
• Maximal score value: 0.3842
• Average score: -2.7399
• Total score value: -175.3511

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	0.3842
2	G	B	-0.0918
3	S	B	-0.4913
4	G	B	-1.1021
5	L	B	-0.8015
6	A	B	-1.1281
7	P	B	-1.4314
8	N	B	-2.5407
9	N	B	-2.9040
10	K	B	-3.3718
11	I	B	0.0000
12	S	B	-2.6444
13	E	B	-3.9928
14	E	B	-3.6760
15	A	B	-2.2912
16	A	B	0.0000
17	K	B	-3.9368
18	N	B	-3.1199
19	V	B	0.0000
20	A	B	0.0000
21	E	B	-3.3635
22	Y	B	-1.7706
23	Y	B	-3.3258
24	E	B	-3.4492
25	E	B	-3.3437
26	T	B	0.0000
27	K	B	-4.2543
28	K	B	-4.3966
29	K	B	-4.2739
30	Y	B	-3.8838
31	E	B	-4.2340
32	E	B	-4.1025
33	G	B	-3.2694
34	K	B	-3.4695
35	A	B	-3.2343
36	S	B	-3.1238
37	E	B	-4.1359
38	E	B	-4.5016
39	E	B	-4.5381
40	L	B	-4.4997
41	K	B	-4.9936
42	E	B	-4.8969
43	A	B	0.0000
44	E	B	-3.9826
45	K	B	-4.0990
46	L	B	-2.4434
47	A	B	0.0000
48	E	B	-3.4665
49	N	B	-2.6948
50	V	B	0.0000
51	K	B	-3.8324
52	E	B	-3.4309
53	A	B	-3.4621
54	A	B	0.0000
55	K	B	-3.9660
56	K	B	-3.7336
57	S	B	-3.0141
58	G	B	-2.5523
59	T	B	-3.2407
60	K	B	-3.6161
61	F	B	-3.5461
62	K	B	-4.0207
63	E	B	-3.7007
64	P	B	-2.3488