Project name: RFC22

Chain sequence(s)	A: GDAEVEENVNIDIKGSEKKKLNIEIKVKAANGASITIEINTTIDTTKKDQKLTTKSIKNYISRQGGDVTVNYNLEIDMEGDGELKININVKVKVEGNASIEKSKVTLEDIK
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                                          (00:02:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -4.3235
• Maximal score value: 1.0118
• Average score: -1.6075
• Total score value: -178.4343

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	G	A	-2.1209
2	D	A	-3.3316
3	A	A	-2.4825
4	E	A	-2.8480
5	V	A	-1.8819
6	E	A	-2.9376
7	E	A	-2.0800
8	N	A	-2.5475
9	V	A	0.0000
10	N	A	-2.5980
11	I	A	0.0000
12	D	A	-3.3441
13	I	A	0.0000
14	K	A	-3.3996
15	G	A	-3.0081
16	S	A	-2.6280
17	E	A	-2.7276
18	K	A	-2.6724
19	K	A	-2.4278
20	K	A	-1.8948
21	L	A	0.0000
22	N	A	-0.8321
23	I	A	0.0000
24	E	A	-1.4623
25	I	A	0.0000
26	K	A	-2.3385
27	V	A	0.0000
28	K	A	-2.9714
29	A	A	0.0000
30	A	A	-1.8322
31	N	A	-2.0627
32	G	A	-1.4777
33	A	A	-1.7777
34	S	A	-1.1819
35	I	A	-0.6329
36	T	A	-0.5874
37	I	A	-0.1119
38	E	A	-1.2827
39	I	A	-0.8822
40	N	A	-1.7427
41	T	A	-0.8493
42	T	A	-0.7424
43	I	A	0.2521
44	D	A	-2.0063
45	T	A	-1.7967
46	T	A	-2.8288
47	K	A	-3.8463
48	K	A	-4.3235
49	D	A	-4.2171
50	Q	A	-3.9460
51	K	A	-3.3446
52	L	A	-1.7047
53	T	A	-1.1824
54	T	A	-0.9788
55	K	A	-1.4129
56	S	A	-0.6603
57	I	A	0.4792
58	K	A	-0.8362
59	N	A	-0.5414
60	Y	A	0.6648
61	I	A	1.0118
62	S	A	-0.6501
63	R	A	-2.6359
64	Q	A	-2.6925
65	G	A	-2.2535
66	G	A	-2.2247
67	D	A	-2.6175
68	V	A	0.0000
69	T	A	0.0000
70	V	A	0.0000
71	N	A	-0.4408
72	Y	A	-0.0559
73	N	A	-0.7750
74	L	A	0.0000
75	E	A	-1.5669
76	I	A	0.0000
77	D	A	-2.0613
78	M	A	0.0000
79	E	A	-3.5296
80	G	A	-3.7234
81	D	A	-4.2738
82	G	A	0.0000
83	E	A	-3.5081
84	L	A	0.0000
85	K	A	-2.8117
86	I	A	0.0000
87	N	A	-2.6094
88	I	A	0.0000
89	N	A	-2.2734
90	V	A	0.0000
91	K	A	-2.2206
92	V	A	0.0000
93	K	A	-2.1094
94	V	A	0.0000
95	E	A	-2.7225
96	G	A	-2.3625
97	N	A	-2.7849
98	A	A	-2.6525
99	S	A	-1.9661
100	I	A	-1.7121
101	E	A	-2.6273
102	K	A	-2.5667
103	S	A	-2.0271
104	K	A	-1.9931
105	V	A	-0.6164
106	T	A	-0.3433
107	L	A	-0.5337
108	E	A	-2.3499
109	D	A	-3.0234
110	I	A	-1.9806
111	K	A	-2.2222