Project name: 16abn [mutate: GR16A] [mutate: GA4A]

Chain sequence(s)	A: KVFGRCELAAAMKRHRLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	GA4A
Energy difference between WT (input) and mutated protein (by FoldX)	0.278747 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:22)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.2912
• Maximal score value: 0.2155
• Average score: -1.1396
• Total score value: -147.0076

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	-1.4016
2	V	A	0.2019
3	F	A	0.0000
4	A	A	-0.5802	mutated: GA4A
5	R	A	-1.0330
6	C	A	-0.8540
7	E	A	-0.7640
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.1888
11	A	A	-1.4833
12	M	A	0.0000
13	K	A	-2.3831
14	R	A	-2.8307
15	H	A	-2.5883
16	R	A	-3.2912
17	L	A	0.0000
18	D	A	-2.4016
19	N	A	-2.3657
20	Y	A	-1.9710
21	R	A	-2.3153
22	G	A	-1.7552
23	Y	A	-1.1685
24	S	A	-1.2259
25	L	A	0.0000
26	G	A	0.0000
27	N	A	-1.0846
28	W	A	0.0000
29	V	A	0.0000
30	C	A	0.0000
31	A	A	0.0000
32	A	A	0.0000
33	K	A	-1.2797
34	F	A	-0.7550
35	E	A	-0.7516
36	S	A	0.0000
37	N	A	-1.3493
38	F	A	0.0000
39	N	A	-1.0703
40	T	A	0.0000
41	Q	A	-1.4445
42	A	A	-1.1659
43	T	A	-1.3769
44	N	A	-1.9868
45	R	A	-2.7855
46	N	A	-2.2448
47	T	A	-1.6406
48	D	A	-2.4489
49	G	A	-2.0777
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.3468
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	-0.5930
58	I	A	0.0000
59	N	A	-1.2725
60	S	A	0.0000
61	R	A	-2.3010
62	W	A	-0.8180
63	W	A	0.0000
64	C	A	0.0000
65	N	A	-2.6265
66	D	A	-2.2124
67	G	A	-1.8056
68	R	A	-2.2397
69	T	A	-2.1708
70	P	A	-1.6546
71	G	A	-1.3347
72	S	A	-2.0796
73	R	A	-2.4795
74	N	A	-1.7465
75	L	A	-0.5200
76	C	A	-0.9716
77	N	A	-1.4744
78	I	A	-0.7933
79	P	A	-1.1415
80	C	A	0.0000
81	S	A	-0.6200
82	A	A	-0.4660
83	L	A	0.0000
84	L	A	-1.0421
85	S	A	-1.3483
86	S	A	-1.5957
87	D	A	-2.1200
88	I	A	0.0000
89	T	A	-1.2003
90	A	A	-0.8682
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.8992
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-2.0152
97	K	A	-2.0226
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.2257
101	D	A	-2.7480
102	G	A	-2.1484
103	N	A	-2.1397
104	G	A	-1.9062
105	M	A	0.0000
106	N	A	-1.3381
107	A	A	-0.6605
108	W	A	0.0000
109	V	A	0.2155
110	A	A	-0.9891
111	W	A	0.0000
112	R	A	-3.0429
113	N	A	-2.9614
114	R	A	-3.1432
115	C	A	0.0000
116	K	A	-3.1461
117	G	A	-2.2479
118	T	A	-2.3872
119	D	A	-2.4593
120	V	A	0.0000
121	Q	A	-2.0558
122	A	A	-1.5836
123	W	A	-1.0679
124	I	A	-1.0337
125	R	A	-2.2189
126	G	A	-1.4036
127	C	A	-1.1971
128	R	A	-1.4647
129	L	A	-0.0129