Project name: 2dfeb73169f51539b933bbfb239c1cab

Chain sequence(s)	B: HEREELIARAELMREALEYAIRFLREYADADPSVDAAAVVERAEEALEVVEEALEAARAGDLERARELLEEAEPAVREAAEAAARVRAAAAAFAAAAAAAGSGC
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -4.8408
• Maximal score value: 1.9066
• Average score: -1.6448
• Total score value: -171.0602

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	H	B	-3.1958
2	E	B	-3.8288
3	R	B	-4.6597
4	E	B	-4.4079
5	E	B	-4.3247
6	L	B	0.0000
7	I	B	-2.8504
8	A	B	-2.2289
9	R	B	-2.4021
10	A	B	0.0000
11	E	B	-2.5835
12	L	B	-0.6828
13	M	B	0.0000
14	R	B	-2.6646
15	E	B	-2.2197
16	A	B	-1.1115
17	L	B	0.0000
18	E	B	-1.7963
19	Y	B	-0.3240
20	A	B	0.0000
21	I	B	-1.8324
22	R	B	-2.4172
23	F	B	-1.6714
24	L	B	0.0000
25	R	B	-3.2034
26	E	B	-2.9833
27	Y	B	-1.7433
28	A	B	-2.0533
29	D	B	-2.3795
30	A	B	-1.2081
31	D	B	-1.6320
32	P	B	-1.2295
33	S	B	-1.1923
34	V	B	-1.4821
35	D	B	-2.0032
36	A	B	0.0000
37	A	B	-1.3651
38	A	B	-1.4989
39	V	B	0.0000
40	V	B	0.0000
41	E	B	-3.1598
42	R	B	-2.9365
43	A	B	0.0000
44	E	B	-3.8159
45	E	B	-3.8081
46	A	B	0.0000
47	L	B	-3.2651
48	E	B	-3.5761
49	V	B	-3.2539
50	V	B	0.0000
51	E	B	-3.5390
52	E	B	-3.6778
53	A	B	0.0000
54	L	B	0.0000
55	E	B	-3.6844
56	A	B	-3.5578
57	A	B	0.0000
58	R	B	-3.3904
59	A	B	-2.0600
60	G	B	-2.5411
61	D	B	-3.4346
62	L	B	-3.6430
63	E	B	-4.0349
64	R	B	-4.3917
65	A	B	0.0000
66	R	B	-4.8408
67	E	B	-4.7545
68	L	B	0.0000
69	L	B	0.0000
70	E	B	-4.2876
71	E	B	-3.7313
72	A	B	0.0000
73	E	B	-3.0234
74	P	B	-2.3255
75	A	B	-2.7594
76	V	B	0.0000
77	R	B	-3.0182
78	E	B	-2.5321
79	A	B	0.0000
80	A	B	-1.8746
81	E	B	-3.2217
82	A	B	0.0000
83	A	B	0.0000
84	A	B	-2.2098
85	R	B	-2.9112
86	V	B	0.0000
87	R	B	-2.2523
88	A	B	-1.1927
89	A	B	-0.6878
90	A	B	-0.2940
91	A	B	0.0885
92	A	B	0.8618
93	F	B	1.9066
94	A	B	1.1724
95	A	B	0.8132
96	A	B	0.8278
97	A	B	0.5835
98	A	B	0.2164
99	A	B	0.1540
100	A	B	-0.1394
101	G	B	-0.3684
102	S	B	-0.3381
103	G	B	-0.3098
104	C	B	0.3340