Project name: RFC5

Chain sequence(s)	A: GPTDTLNVMVNGEKKTLTGTGTKAAANDDYTFTPLTYTKDITSNVVKVKVVDTDTTTGGDATDTEVDVVEITSNSNSTKLTVKHTRTLTTAP
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.4916
• Maximal score value: 0.8485
• Average score: -1.011
• Total score value: -93.0161

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	-0.8634
2	P	A	-0.7126
3	T	A	-0.4838
4	D	A	0.0000
5	T	A	-0.5950
6	L	A	0.0000
7	N	A	-1.0304
8	V	A	0.0000
9	M	A	-2.3095
10	V	A	0.0000
11	N	A	-2.5467
12	G	A	-2.8063
13	E	A	-3.4916
14	K	A	-3.3436
15	K	A	-1.9892
16	T	A	-0.6659
17	L	A	-0.3077
18	T	A	-0.1812
19	G	A	0.0000
20	T	A	-0.4840
21	G	A	0.0000
22	T	A	-1.2002
23	K	A	-2.4420
24	A	A	-1.6198
25	A	A	-1.0155
26	A	A	-1.1840
27	N	A	-2.4434
28	D	A	-2.9062
29	D	A	-2.0524
30	Y	A	-1.4929
31	T	A	-0.6196
32	F	A	0.0000
33	T	A	-0.2482
34	P	A	-0.3384
35	L	A	0.0000
36	T	A	-0.3568
37	Y	A	-0.2479
38	T	A	-0.9992
39	K	A	-1.8037
40	D	A	-2.3808
41	I	A	-0.9438
42	T	A	-0.8150
43	S	A	-0.3516
44	N	A	-0.3363
45	V	A	0.8485
46	V	A	-0.0735
47	K	A	-1.8389
48	V	A	-1.1875
49	K	A	-1.6089
50	V	A	-0.3824
51	V	A	-0.3833
52	D	A	-1.6457
53	T	A	-1.4219
54	D	A	-2.2194
55	T	A	-0.9190
56	T	A	-0.9775
57	T	A	-0.8053
58	G	A	-1.1149
59	G	A	-1.6094
60	D	A	-2.2400
61	A	A	-1.3737
62	T	A	-0.9280
63	D	A	-1.5936
64	T	A	-1.0025
65	E	A	-1.7025
66	V	A	0.0025
67	D	A	-0.8299
68	V	A	0.4471
69	V	A	0.6285
70	E	A	-0.5518
71	I	A	0.1879
72	T	A	-0.7411
73	S	A	-1.2507
74	N	A	-2.0501
75	S	A	-1.5327
76	N	A	-1.9745
77	S	A	-1.8848
78	T	A	-1.6672
79	K	A	-2.0352
80	L	A	0.0000
81	T	A	-0.6172
82	V	A	0.0000
83	K	A	-0.7572
84	H	A	0.0000
85	T	A	-0.5996
86	R	A	0.0000
87	T	A	-0.6181
88	L	A	0.0000
89	T	A	-1.3804
90	T	A	-1.5305
91	A	A	-1.2899
92	P	A	-1.1832