Project name: RFC13

Chain sequence(s)	A: SLEETARKFAQMVLDNVKTGSKGAKRVTVNIKYIGGKDIEKAEEIMKQTEKEITDYVTNKAKAELASINLKILSPTEPIKPGESYSIEQHTVTTTAPEPP
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)

• Minimal score value: -3.8606
• Maximal score value: 1.2969
• Average score: -1.5147
• Total score value: -151.47

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	S	A	-0.9974
2	L	A	-1.4319
3	E	A	-2.5414
4	E	A	-2.5669
5	T	A	-2.0085
6	A	A	0.0000
7	R	A	-3.4015
8	K	A	-3.0463
9	F	A	-1.4588
10	A	A	0.0000
11	Q	A	-2.1606
12	M	A	-1.2398
13	V	A	0.0000
14	L	A	-1.5140
15	D	A	-1.7687
16	N	A	-2.0339
17	V	A	0.0000
18	K	A	-2.0840
19	T	A	-1.8350
20	G	A	-1.7966
21	S	A	0.0000
22	K	A	-2.8758
23	G	A	-2.2334
24	A	A	-2.7284
25	K	A	-3.6772
26	R	A	-3.5017
27	V	A	0.0000
28	T	A	-0.8943
29	V	A	0.0000
30	N	A	-1.5731
31	I	A	0.0000
32	K	A	-1.9905
33	Y	A	-0.2307
34	I	A	0.4337
35	G	A	-0.3415
36	G	A	-1.3176
37	K	A	-2.8902
38	D	A	-2.8870
39	I	A	-2.3095
40	E	A	-3.5678
41	K	A	-3.6119
42	A	A	0.0000
43	E	A	-2.9519
44	E	A	-3.5428
45	I	A	-2.7674
46	M	A	0.0000
47	K	A	-3.0779
48	Q	A	-3.0917
49	T	A	0.0000
50	E	A	-2.8467
51	K	A	-3.5670
52	E	A	-3.1167
53	I	A	0.0000
54	T	A	-2.3077
55	D	A	-2.9408
56	Y	A	-2.4390
57	V	A	0.0000
58	T	A	-2.5234
59	N	A	-3.1263
60	K	A	-3.2968
61	A	A	-3.1411
62	K	A	-3.8606
63	A	A	0.0000
64	E	A	-3.3608
65	L	A	-1.5845
66	A	A	-1.0640
67	S	A	-0.5789
68	I	A	-0.3090
69	N	A	-0.9109
70	L	A	-1.0977
71	K	A	-1.2013
72	I	A	-0.1931
73	L	A	0.1192
74	S	A	-0.5233
75	P	A	-0.5544
76	T	A	-1.2138
77	E	A	-2.1158
78	P	A	-0.8913
79	I	A	-0.4186
80	K	A	-2.0585
81	P	A	-1.6152
82	G	A	-1.6883
83	E	A	-2.2499
84	S	A	-0.9845
85	Y	A	-0.0123
86	S	A	-0.3030
87	I	A	-0.1148
88	E	A	-1.7736
89	Q	A	-1.8381
90	H	A	-1.5122
91	T	A	-0.4955
92	V	A	1.2969
93	T	A	0.4566
94	T	A	0.2991
95	T	A	-0.1809
96	A	A	-0.6085
97	P	A	-1.2172
98	E	A	-2.1212
99	P	A	-1.3061
100	P	A	-0.8646