Project name: KFDV_C

Chain sequence(s)	A: MAKGAVLKGKGGGPPRRVPKETAKKTRQGPGRLPNGLVLMRMMGVLWHMVAGTARNPILKRFWATVPVRQAIAALRKIRKTVGLLLDSLNKRRGKRRSTTGLLTPILLACLATLVFS
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                                          (00:03:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:22)

• Minimal score value: -4.9976
• Maximal score value: 3.7291
• Average score: -0.5623
• Total score value: -65.7949

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	0.6319
2	A	A	-0.3664
3	K	A	-1.4150
4	G	A	-0.4711
5	A	A	0.4431
6	V	A	1.6834
7	L	A	1.1709
8	K	A	-1.1899
9	G	A	-1.6373
10	K	A	-2.5516
11	G	A	-2.0527
12	G	A	-1.4921
13	G	A	-1.4287
14	P	A	-1.4886
15	P	A	-1.6810
16	R	A	-2.5128
17	R	A	-2.3196
18	V	A	-0.5702
19	P	A	-1.5071
20	K	A	-2.7277
21	E	A	-3.1881
22	T	A	-2.4172
23	A	A	-2.6244
24	K	A	-3.9080
25	K	A	-3.4937
26	T	A	-2.6682
27	R	A	-3.5262
28	Q	A	-3.3209
29	G	A	-2.2523
30	P	A	-1.6779
31	G	A	-1.7646
32	R	A	-2.6252
33	L	A	-1.4144
34	P	A	-1.2642
35	N	A	-1.4523
36	G	A	-0.6411
37	L	A	0.0069
38	V	A	0.0000
39	L	A	0.2981
40	M	A	0.5645
41	R	A	-0.2977
42	M	A	0.0000
43	M	A	1.0134
44	G	A	0.8813
45	V	A	0.0000
46	L	A	1.9382
47	W	A	2.0266
48	H	A	1.0875
49	M	A	1.7372
50	V	A	2.3831
51	A	A	1.1490
52	G	A	0.1119
53	T	A	-0.3792
54	A	A	-0.9920
55	R	A	-2.0069
56	N	A	-1.3315
57	P	A	-1.2088
58	I	A	-0.6960
59	L	A	-0.6779
60	K	A	-2.0291
61	R	A	-2.0742
62	F	A	0.0000
63	W	A	0.4700
64	A	A	-0.2479
65	T	A	-0.2308
66	V	A	0.0000
67	P	A	-0.1125
68	V	A	0.7365
69	R	A	-1.0087
70	Q	A	-1.0291
71	A	A	0.0000
72	I	A	0.1904
73	A	A	-0.7925
74	A	A	0.0000
75	L	A	-0.6540
76	R	A	-2.7313
77	K	A	-2.8295
78	I	A	-1.2037
79	R	A	-2.4580
80	K	A	-2.4487
81	T	A	-0.7760
82	V	A	-0.0910
83	G	A	-0.2707
84	L	A	1.0292
85	L	A	1.1519
86	L	A	-0.0365
87	D	A	-1.8453
88	S	A	-1.3668
89	L	A	-1.6698
90	N	A	-3.5250
91	K	A	-4.2490
92	R	A	-4.3371
93	R	A	-4.9976
94	G	A	-4.0900
95	K	A	-4.3640
96	R	A	-4.1449
97	R	A	-3.6154
98	S	A	-1.9794
99	T	A	-0.3739
100	T	A	0.1087
101	G	A	0.5433
102	L	A	2.5420
103	L	A	3.1426
104	T	A	2.2472
105	P	A	2.4400
106	I	A	3.7291
107	L	A	3.2403
108	L	A	3.0666
109	A	A	2.5694
110	C	A	2.5875
111	L	A	2.9807
112	A	A	2.7008
113	T	A	2.4705
114	L	A	3.4079
115	V	A	3.6598
116	F	A	3.2030
117	S	A	1.6836