Project name: RFC16

Chain sequence(s)	A: MKTTKKETTATSSKNTTISASETVAGGETKKVTLNLELTTPKGKMKQTKTFSGKVAEGGTYTLNSTLEYSTNDSSIVPNIKAKATTEVETE
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:28)

• Minimal score value: -3.4954
• Maximal score value: 0.811
• Average score: -1.2971
• Total score value: -118.0367

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	M	A	-0.4909
2	K	A	-1.8198
3	T	A	-1.8481
4	T	A	-2.0347
5	K	A	-3.2846
6	K	A	-3.4954
7	E	A	-3.3024
8	T	A	-1.5515
9	T	A	-1.1087
10	A	A	-0.6818
11	T	A	-1.3006
12	S	A	-1.3267
13	S	A	-1.7168
14	K	A	-2.8602
15	N	A	-2.6548
16	T	A	0.0000
17	T	A	-1.1196
18	I	A	0.0000
19	S	A	-0.9461
20	A	A	-1.1882
21	S	A	-1.0367
22	E	A	-0.8156
23	T	A	-0.3371
24	V	A	0.0000
25	A	A	-0.7931
26	G	A	-1.6419
27	G	A	-1.8680
28	E	A	-2.3711
29	T	A	-2.2338
30	K	A	0.0000
31	K	A	-2.2124
32	V	A	0.0000
33	T	A	-1.0975
34	L	A	0.0000
35	N	A	-1.5809
36	L	A	0.0000
37	E	A	-2.2420
38	L	A	0.0000
39	T	A	-2.1518
40	T	A	-1.5704
41	P	A	-1.5570
42	K	A	-2.2432
43	G	A	-1.8541
44	K	A	-2.6767
45	M	A	-1.8573
46	K	A	-2.6268
47	Q	A	-1.7087
48	T	A	-1.2301
49	K	A	-0.8713
50	T	A	-0.6201
51	F	A	-0.5194
52	S	A	-1.0950
53	G	A	-1.4093
54	K	A	-2.6551
55	V	A	0.0000
56	A	A	-1.6956
57	E	A	-2.5559
58	G	A	-1.4829
59	G	A	-1.1688
60	T	A	-0.4633
61	Y	A	-0.0783
62	T	A	-0.3265
63	L	A	-0.6409
64	N	A	-1.4663
65	S	A	0.0000
66	T	A	-0.9703
67	L	A	0.0000
68	E	A	-2.0196
69	Y	A	-1.4668
70	S	A	-1.9088
71	T	A	-1.8153
72	N	A	-2.4028
73	D	A	-1.7451
74	S	A	-0.9921
75	S	A	-0.2976
76	I	A	0.0000
77	V	A	0.8110
78	P	A	-0.6703
79	N	A	-1.4987
80	I	A	0.0000
81	K	A	-1.9676
82	A	A	0.0000
83	K	A	-1.8727
84	A	A	0.0000
85	T	A	-2.1799
86	T	A	0.0000
87	E	A	-2.4664
88	V	A	0.0000
89	E	A	-2.3071
90	T	A	-2.1818
91	E	A	-2.5990