Project name: 16abn [mutate: GR16A]

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	GR16A
Energy difference between WT (input) and mutated protein (by FoldX)	3.71878 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                        (00:00:38)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.2905
• Maximal score value: 0.2157
• Average score: -1.1525
• Total score value: -148.6787

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	-1.4319
2	V	A	0.0990
3	F	A	0.0000
4	G	A	-1.0152
5	R	A	-1.2975
6	C	A	-1.0679
7	E	A	-1.1085
8	L	A	0.0000
9	A	A	0.0000
10	A	A	-1.2973
11	A	A	-1.5349
12	M	A	0.0000
13	K	A	-2.3826
14	R	A	-2.8300
15	H	A	-2.5868
16	R	A	-3.2905	mutated: GR16A
17	L	A	0.0000
18	D	A	-2.4014
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	-1.0845
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	-1.3209
34	F	A	-0.7569
35	E	A	-0.7511
36	S	A	0.0000
37	N	A	-1.3925
38	F	A	0.0000
39	N	A	-1.1086
40	T	A	0.0000
41	Q	A	-1.4427
42	A	A	-1.1647
43	T	A	-1.3775
44	N	A	-1.9873
45	R	A	-2.7858
46	N	A	-2.2416
47	T	A	-1.6399
48	D	A	-2.4435
49	G	A	-2.0698
50	S	A	0.0000
51	T	A	0.0000
52	D	A	-1.3451
53	Y	A	0.0000
54	G	A	0.0000
55	I	A	0.0000
56	L	A	0.0000
57	Q	A	-0.5946
58	I	A	0.0000
59	N	A	-1.2668
60	S	A	0.0000
61	R	A	-2.2664
62	W	A	-0.8004
63	W	A	0.0000
64	C	A	0.0000
65	N	A	-2.6221
66	D	A	-2.2067
67	G	A	-1.8021
68	R	A	-2.2286
69	T	A	-2.1581
70	P	A	-1.6471
71	G	A	-1.3268
72	S	A	-2.0655
73	R	A	-2.4726
74	N	A	-1.7470
75	L	A	-0.5348
76	C	A	-0.9811
77	N	A	-1.4804
78	I	A	-0.7962
79	P	A	-1.1412
80	C	A	0.0000
81	S	A	-0.6200
82	A	A	-0.4660
83	L	A	0.0000
84	L	A	-1.0409
85	S	A	-1.3468
86	S	A	-1.5929
87	D	A	-2.1189
88	I	A	0.0000
89	T	A	-1.2000
90	A	A	-0.8682
91	S	A	0.0000
92	V	A	0.0000
93	N	A	-1.9004
94	C	A	0.0000
95	A	A	0.0000
96	K	A	-2.0183
97	K	A	-2.0321
98	I	A	0.0000
99	V	A	0.0000
100	S	A	-2.2278
101	D	A	-2.7496
102	G	A	-2.1491
103	N	A	-2.1397
104	G	A	-1.9069
105	M	A	0.0000
106	N	A	-1.3381
107	A	A	-0.6605
108	W	A	0.0000
109	V	A	0.2157
110	A	A	-0.9893
111	W	A	0.0000
112	R	A	-3.0429
113	N	A	-2.9616
114	R	A	-3.1435
115	C	A	0.0000
116	K	A	-3.1461
117	G	A	-2.2478
118	T	A	-2.3869
119	D	A	-2.4591
120	V	A	0.0000
121	Q	A	-2.0557
122	A	A	-1.5835
123	W	A	-1.0722
124	I	A	-1.0585
125	R	A	-2.2202
126	G	A	-1.4008
127	C	A	-1.2307
128	R	A	-1.4872
129	L	A	-0.0342