Project name: ebc3591fa6d395f35497b12d17852c21

Chain sequence(s)	B: SMEEARALFEEAKALARELRAESRAAVAAGDYAAAARVALRVLEAAGEVVEALGDNEEARELLERARAAAEEAAATGDRAALLEATRLIGELARAIKEAVGSGC
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:44)

• Minimal score value: -4.448
• Maximal score value: 0.4179
• Average score: -1.8528
• Total score value: -192.6923

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	-1.3941
2	M	B	-1.4896
3	E	B	-2.8646
4	E	B	-2.9750
5	A	B	0.0000
6	R	B	-2.7174
7	A	B	-2.2359
8	L	B	-2.3435
9	F	B	-2.6502
10	E	B	-3.0486
11	E	B	-3.1295
12	A	B	0.0000
13	K	B	-2.8755
14	A	B	-2.7570
15	L	B	-2.4855
16	A	B	-3.0012
17	R	B	-3.8918
18	E	B	-3.5595
19	L	B	-3.2715
20	R	B	-3.9649
21	A	B	-2.8196
22	E	B	-3.1128
23	S	B	-2.6515
24	R	B	-2.4063
25	A	B	-1.4215
26	A	B	-0.9774
27	V	B	0.2321
28	A	B	-0.0519
29	A	B	-0.0794
30	G	B	-0.6276
31	D	B	-1.1759
32	Y	B	-0.6709
33	A	B	-1.4499
34	A	B	-0.8136
35	A	B	0.0000
36	A	B	0.0000
37	R	B	-2.2945
38	V	B	-1.8499
39	A	B	-1.5889
40	L	B	-2.1205
41	R	B	-2.5920
42	V	B	-1.6373
43	L	B	0.0000
44	E	B	-2.8172
45	A	B	-2.1589
46	A	B	0.0000
47	G	B	-2.5955
48	E	B	-2.9682
49	V	B	0.0000
50	V	B	0.0000
51	E	B	-2.9272
52	A	B	-2.2887
53	L	B	-2.1070
54	G	B	-1.9631
55	D	B	-3.1544
56	N	B	-3.3455
57	E	B	-4.1417
58	E	B	-3.9315
59	A	B	0.0000
60	R	B	-4.2806
61	E	B	-4.4480
62	L	B	-3.1191
63	L	B	-3.0642
64	E	B	-3.7037
65	R	B	-3.6899
66	A	B	0.0000
67	R	B	-3.1602
68	A	B	-2.5609
69	A	B	-2.3362
70	A	B	0.0000
71	E	B	-3.3596
72	E	B	-3.0030
73	A	B	0.0000
74	A	B	-2.1484
75	A	B	-1.4627
76	T	B	-1.3894
77	G	B	-1.7462
78	D	B	-2.1860
79	R	B	-2.0026
80	A	B	-1.0464
81	A	B	-1.5640
82	L	B	0.0000
83	L	B	0.0021
84	E	B	-1.0670
85	A	B	0.0000
86	T	B	-0.6228
87	R	B	-1.6548
88	L	B	0.0000
89	I	B	-0.9638
90	G	B	-1.3995
91	E	B	-2.0786
92	L	B	0.0000
93	A	B	-1.8880
94	R	B	-3.1799
95	A	B	-2.7360
96	I	B	0.0000
97	K	B	-3.4595
98	E	B	-3.3118
99	A	B	-2.1035
100	V	B	0.0000
101	G	B	-1.4137
102	S	B	-1.0428
103	G	B	-0.7560
104	C	B	0.4179