Project name: RFC4

Chain sequence(s)	A: KKVKIKLTQVVSSTAENVTINATFTATGDTKVTLELTDESGNLIDKDTDEVTGNETATATASYSAATGSTVTITGTAESTDGKVPTNIELNVTVTTG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.2203
• Maximal score value: 1.1784
• Average score: -0.9337
• Total score value: -90.5668

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	K	A	-3.0659
2	K	A	-3.2203
3	V	A	-1.9166
4	K	A	-2.6065
5	I	A	-1.0718
6	K	A	-1.6847
7	L	A	-0.5112
8	T	A	-0.2151
9	Q	A	0.3074
10	V	A	1.1784
11	V	A	0.9940
12	S	A	0.0581
13	S	A	-0.5947
14	T	A	-0.9784
15	A	A	-1.4743
16	E	A	-2.6889
17	N	A	-2.3631
18	V	A	0.0000
19	T	A	-0.6425
20	I	A	0.0000
21	N	A	-0.8363
22	A	A	0.0000
23	T	A	-0.6965
24	F	A	0.0000
25	T	A	-0.8119
26	A	A	0.0000
27	T	A	-1.3816
28	G	A	0.0000
29	D	A	-2.0736
30	T	A	0.0000
31	K	A	-1.8899
32	V	A	0.0000
33	T	A	0.0000
34	L	A	0.0000
35	E	A	-1.2440
36	L	A	0.0000
37	T	A	-0.9013
38	D	A	-1.5114
39	E	A	-2.2974
40	S	A	-1.7386
41	G	A	-1.6193
42	N	A	-1.4879
43	L	A	-0.3735
44	I	A	-0.1810
45	D	A	-1.2787
46	K	A	-2.1938
47	D	A	-1.8533
48	T	A	-1.5850
49	D	A	-1.7560
50	E	A	-2.5995
51	V	A	-1.9365
52	T	A	-1.7149
53	G	A	-1.8326
54	N	A	-2.4755
55	E	A	-2.8631
56	T	A	-1.8091
57	A	A	0.0000
58	T	A	-0.9761
59	A	A	0.0000
60	T	A	-0.9899
61	A	A	0.0000
62	S	A	-0.7287
63	Y	A	-0.0015
64	S	A	-0.3536
65	A	A	0.0000
66	A	A	-0.7157
67	T	A	-1.1877
68	G	A	-0.8207
69	S	A	-0.7837
70	T	A	-0.5606
71	V	A	0.0000
72	T	A	-0.1404
73	I	A	0.0000
74	T	A	-0.5345
75	G	A	0.0000
76	T	A	-1.0203
77	A	A	0.0000
78	E	A	-2.1057
79	S	A	0.0000
80	T	A	-1.8548
81	D	A	-1.9203
82	G	A	-2.4635
83	K	A	-1.9951
84	V	A	0.3265
85	P	A	0.0000
86	T	A	-0.8392
87	N	A	-1.3942
88	I	A	-0.6705
89	E	A	-1.4050
90	L	A	-0.8844
91	N	A	-0.9712
92	V	A	-0.1785
93	T	A	0.0494
94	V	A	0.7429
95	T	A	-0.2930
96	T	A	-0.9824
97	G	A	-1.4761