Project name: b01baa357534ef9

Chain sequence(s)	A: AALAAYKTALAAVRTAAAAFLAAVRADLGDSPEVRELEALAARLDAATDALVAALDAKRWAEALALAAEVDKLVAQQVALMDRIVGSLSAAAQAAYAALLTARAATAAAAAALRAAIAAQ
Selected Chain(s)	A
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 A 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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.7587
• Maximal score value: 0.8323
• Average score: -0.8278
• Total score value: -99.3385

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	A	A	0.0745
2	A	A	-0.1122
3	L	A	-0.1975
4	A	A	-0.1331
5	A	A	-0.1715
6	Y	A	0.0000
7	K	A	-1.1219
8	T	A	-0.4692
9	A	A	-0.3455
10	L	A	0.0000
11	A	A	-0.4012
12	A	A	-0.2503
13	V	A	-0.1392
14	R	A	-0.6747
15	T	A	-0.2334
16	A	A	0.0415
17	A	A	-0.0322
18	A	A	-0.0489
19	A	A	0.1283
20	F	A	0.0000
21	L	A	-0.2515
22	A	A	-0.1841
23	A	A	-0.2588
24	V	A	0.0000
25	R	A	-1.5217
26	A	A	-0.7644
27	D	A	-1.0693
28	L	A	-0.9097
29	G	A	-1.6552
30	D	A	-2.6269
31	S	A	-2.1329
32	P	A	-2.1754
33	E	A	-2.6406
34	V	A	0.0000
35	R	A	-3.7587
36	E	A	-3.3040
37	L	A	0.0000
38	E	A	-2.2159
39	A	A	-2.0234
40	L	A	0.0000
41	A	A	-1.3656
42	A	A	-1.4173
43	R	A	-2.2287
44	L	A	-1.8991
45	D	A	-1.9568
46	A	A	-1.5001
47	A	A	0.0000
48	T	A	0.0000
49	D	A	-2.1635
50	A	A	-1.2074
51	L	A	0.0000
52	V	A	-1.0772
53	A	A	-1.5821
54	A	A	0.0000
55	L	A	0.0000
56	D	A	-2.4551
57	A	A	-2.1728
58	K	A	-3.3235
59	R	A	-3.2616
60	W	A	-2.0001
61	A	A	-1.1548
62	E	A	-2.1882
63	A	A	0.0000
64	L	A	-0.4386
65	A	A	-0.5580
66	L	A	-0.9433
67	A	A	-1.0579
68	A	A	-1.4503
69	E	A	-2.1903
70	V	A	-1.8997
71	D	A	-2.7864
72	K	A	-2.8366
73	L	A	-1.7881
74	V	A	-1.0602
75	A	A	-1.0277
76	Q	A	-1.5177
77	Q	A	0.0000
78	V	A	0.1249
79	A	A	-0.7071
80	L	A	-1.2347
81	M	A	0.0000
82	D	A	-2.3890
83	R	A	-2.5917
84	I	A	0.0000
85	V	A	-0.7743
86	G	A	-1.0565
87	S	A	-0.6941
88	L	A	0.0000
89	S	A	-0.3720
90	A	A	-0.1490
91	A	A	-0.1635
92	A	A	0.0000
93	Q	A	-0.4259
94	A	A	-0.0298
95	A	A	0.1350
96	Y	A	0.3246
97	A	A	0.2431
98	A	A	0.2728
99	L	A	0.0000
100	L	A	0.8323
101	T	A	0.3196
102	A	A	0.1542
103	R	A	0.0922
104	A	A	0.1885
105	A	A	0.1527
106	T	A	-0.0260
107	A	A	-0.1260
108	A	A	0.1224
109	A	A	-0.2383
110	A	A	-0.3877
111	A	A	-0.4365
112	A	A	-0.3386
113	L	A	0.0000
114	R	A	-1.3790
115	A	A	-0.7722
116	A	A	-0.5521
117	I	A	-0.9461
118	A	A	-0.5657
119	A	A	-0.6436
120	Q	A	-1.2137