Project name: RFC9

Chain sequence(s)	A: NVTATTTPAKGSGKEITSSASGTLAAAPSVTVTTVKKIEKVEVDPNENIELTQDNTVTTTPTATTVSANISAKSKGSKPVKYVNASSSITVTSPA
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.2952
• Maximal score value: 1.1384
• Average score: -0.8329
• Total score value: -79.1216

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	N	A	-1.2300
2	V	A	0.0000
3	T	A	-0.3601
4	A	A	0.0000
5	T	A	-0.1051
6	T	A	0.0000
7	T	A	-0.5467
8	P	A	-0.8865
9	A	A	0.0000
10	K	A	-2.0586
11	G	A	-1.5825
12	S	A	-1.7301
13	G	A	-1.9152
14	K	A	-3.0084
15	E	A	-3.0134
16	I	A	-1.4576
17	T	A	-0.9027
18	S	A	-0.5086
19	S	A	-0.7793
20	A	A	-0.4072
21	S	A	-0.3945
22	G	A	-0.2913
23	T	A	-0.1863
24	L	A	-0.1052
25	A	A	-0.0812
26	A	A	0.0209
27	A	A	-0.0276
28	P	A	-0.2315
29	S	A	0.0662
30	V	A	0.5292
31	T	A	0.4052
32	V	A	1.1384
33	T	A	0.8504
34	T	A	0.5976
35	V	A	0.5858
36	K	A	-1.8082
37	K	A	-2.0147
38	I	A	-1.2229
39	E	A	-2.5060
40	K	A	-2.4637
41	V	A	-1.1930
42	E	A	-1.5398
43	V	A	-1.3869
44	D	A	-1.6639
45	P	A	-1.3736
46	N	A	-2.0023
47	E	A	-2.2084
48	N	A	-2.6778
49	I	A	-2.0890
50	E	A	-2.1485
51	L	A	-0.7928
52	T	A	-0.9536
53	Q	A	-1.6026
54	D	A	-2.4182
55	N	A	-1.2989
56	T	A	-0.4413
57	V	A	0.5875
58	T	A	0.1947
59	T	A	0.1767
60	T	A	-0.2273
61	P	A	-0.3356
62	T	A	-0.1595
63	A	A	-0.0620
64	T	A	0.0000
65	T	A	0.0552
66	V	A	0.0000
67	S	A	-0.6351
68	A	A	0.0000
69	N	A	-1.3757
70	I	A	0.0000
71	S	A	-1.2168
72	A	A	0.0000
73	K	A	-2.8854
74	S	A	0.0000
75	K	A	-3.2952
76	G	A	-2.3916
77	S	A	-1.8468
78	K	A	-2.4845
79	P	A	-2.5039
80	V	A	0.0000
81	K	A	-1.9565
82	Y	A	-1.3317
83	V	A	0.0000
84	N	A	-1.7850
85	A	A	0.0000
86	S	A	-1.1449
87	S	A	0.0000
88	S	A	-0.2877
89	I	A	0.0000
90	T	A	0.2691
91	V	A	0.0000
92	T	A	-0.2226
93	S	A	-0.1809
94	P	A	-0.3718
95	A	A	-0.2823