Project name: 3cbc481fcc02ae6dacd1ed77fde2296d

Chain sequence(s)	B: CGSGSAEEIEELEKKIEEAEEKLKEELPLVREAAELALEVIEANPESGVDPEPVREALEGVERGEDAAELLDKVYDAIIAALDADANPEGAKEAKEKADEALEKIIEVVKKRAKLKKKLKKLEL
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                                          (00:06:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:35)

• Minimal score value: -5.2377
• Maximal score value: 0.2055
• Average score: -2.1359
• Total score value: -264.8543

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	0.2055
2	G	B	-0.6272
3	S	B	-1.1067
4	G	B	-1.5671
5	S	B	-1.6437
6	A	B	-2.1062
7	E	B	-3.6862
8	E	B	-3.3657
9	I	B	-3.6385
10	E	B	-4.5449
11	E	B	-4.8404
12	L	B	0.0000
13	E	B	-5.1414
14	K	B	-5.2265
15	K	B	-4.6031
16	I	B	0.0000
17	E	B	-5.2377
18	E	B	-5.0383
19	A	B	0.0000
20	E	B	-4.4107
21	E	B	-4.8140
22	K	B	-4.0145
23	L	B	0.0000
24	K	B	-3.6937
25	E	B	-3.4539
26	E	B	-2.2466
27	L	B	0.0000
28	P	B	-1.3880
29	L	B	-1.3366
30	V	B	0.0000
31	R	B	-1.8745
32	E	B	-1.9103
33	A	B	0.0000
34	A	B	0.0000
35	E	B	-2.2962
36	L	B	-1.9476
37	A	B	0.0000
38	L	B	-2.1881
39	E	B	-2.5647
40	V	B	0.0000
41	I	B	0.0000
42	E	B	-2.4974
43	A	B	-1.6359
44	N	B	-1.9917
45	P	B	-1.9967
46	E	B	-2.2958
47	S	B	-2.2315
48	G	B	-1.6938
49	V	B	-1.7790
50	D	B	-2.6809
51	P	B	-2.7576
52	E	B	-3.2101
53	P	B	-2.9977
54	V	B	0.0000
55	R	B	-3.2403
56	E	B	-3.6031
57	A	B	0.0000
58	L	B	-3.0779
59	E	B	-3.7933
60	G	B	0.0000
61	V	B	-2.8895
62	E	B	-3.6207
63	R	B	-3.4256
64	G	B	-2.8301
65	E	B	-2.9823
66	D	B	-2.5475
67	A	B	0.0000
68	A	B	-1.6863
69	E	B	-3.0114
70	L	B	0.0000
71	L	B	0.0000
72	D	B	-3.0437
73	K	B	-3.0286
74	V	B	0.0000
75	Y	B	-1.5978
76	D	B	-2.0411
77	A	B	0.0000
78	I	B	0.0000
79	I	B	-0.4610
80	A	B	-1.0291
81	A	B	0.0000
82	L	B	-1.7510
83	D	B	-1.9258
84	A	B	-1.8891
85	D	B	-2.6310
86	A	B	0.0000
87	N	B	-2.3864
88	P	B	-2.7058
89	E	B	-3.2606
90	G	B	-2.6941
91	A	B	0.0000
92	K	B	-3.4686
93	E	B	-3.5102
94	A	B	0.0000
95	K	B	-2.7624
96	E	B	-3.6021
97	K	B	-2.7831
98	A	B	0.0000
99	D	B	-2.6057
100	E	B	-2.7275
101	A	B	0.0000
102	L	B	-1.5607
103	E	B	-2.6217
104	K	B	-2.5226
105	I	B	0.0000
106	I	B	-0.7963
107	E	B	-2.5166
108	V	B	0.0000
109	V	B	-1.3431
110	K	B	-2.5476
111	K	B	-2.5684
112	R	B	-3.1226
113	A	B	-2.6357
114	K	B	-3.7776
115	L	B	-3.5632
116	K	B	-4.4173
117	K	B	-4.6389
118	K	B	-4.0437
119	L	B	-3.9477
120	K	B	-4.0104
121	K	B	-3.3128
122	L	B	-1.9089
123	E	B	-2.1374
124	L	B	-0.1728