Project name: H72Y SOD [mutate: HY72A]

Chain sequence(s)	A: MATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	HY72A
Energy difference between WT (input) and mutated protein (by FoldX)	9.92959 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       FoldX:    Building mutant model                                                       (00:04:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:05:12)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:39)

• Minimal score value: -3.8943
• Maximal score value: 1.7973
• Average score: -0.9155
• Total score value: -140.988

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	0.2740
2	A	A	-1.1576
3	T	A	-0.8614
4	K	A	-0.6758
5	A	A	0.0000
6	V	A	1.1303
7	C	A	0.0000
8	V	A	0.8660
9	L	A	0.0000
10	K	A	-2.1739
11	G	A	-2.2700
12	D	A	-2.5706
13	G	A	-1.7628
14	P	A	-1.7058
15	V	A	0.0000
16	Q	A	-2.2696
17	G	A	0.0000
18	I	A	0.9725
19	I	A	0.0000
20	N	A	0.1433
21	F	A	0.0000
22	E	A	-2.0934
23	Q	A	0.0000
24	K	A	-2.9650
25	E	A	-3.0618
26	S	A	-2.0664
27	N	A	-2.2591
28	G	A	-2.0058
29	P	A	-1.7936
30	V	A	0.0000
31	K	A	-2.2521
32	V	A	0.0000
33	W	A	-0.5750
34	G	A	-0.1279
35	S	A	-0.9943
36	I	A	0.0000
37	K	A	-2.7285
38	G	A	-1.9142
39	L	A	0.0000
40	T	A	-2.2285
41	E	A	-3.1566
42	G	A	-1.3379
43	L	A	-0.1955
44	H	A	0.0000
45	G	A	0.0000
46	F	A	0.0000
47	H	A	0.0000
48	V	A	0.0000
49	H	A	0.0000
50	E	A	-0.2194
51	F	A	0.6171
52	G	A	-0.1155
53	D	A	-0.7783
54	N	A	-0.8281
55	T	A	-0.6874
56	A	A	-0.4601
57	G	A	-1.2359
58	C	A	-0.7997
59	T	A	-0.4102
60	S	A	-0.4458
61	A	A	0.0000
62	G	A	-0.1950
63	P	A	-0.5002
64	H	A	0.0000
65	F	A	0.0000
66	N	A	-0.8681
67	P	A	-0.6473
68	L	A	-0.5729
69	S	A	-1.0803
70	R	A	-2.6641
71	K	A	-3.1724
72	Y	A	0.0000	mutated: HY72A
73	G	A	0.0000
74	G	A	0.0000
75	P	A	-1.7203
76	K	A	-2.7280
77	D	A	-3.0876
78	E	A	-3.6240
79	E	A	-3.5891
80	R	A	0.0000
81	H	A	0.0000
82	V	A	0.0000
83	G	A	0.0000
84	D	A	0.0000
85	L	A	0.0000
86	G	A	0.0000
87	N	A	-0.1383
88	V	A	0.0000
89	T	A	-0.7963
90	A	A	0.0000
91	D	A	-3.8399
92	K	A	-3.8943
93	D	A	-3.7038
94	G	A	0.0000
95	V	A	-2.8845
96	A	A	0.0000
97	D	A	-2.2170
98	V	A	0.0000
99	S	A	-1.0030
100	I	A	-1.1193
101	E	A	-2.1793
102	D	A	0.0000
103	S	A	-0.9485
104	V	A	-0.3907
105	I	A	0.0000
106	S	A	-0.9585
107	L	A	0.0000
108	S	A	-0.9988
109	G	A	-1.5021
110	D	A	-2.0339
111	H	A	-0.9476
112	C	A	-0.6108
113	I	A	0.0000
114	I	A	0.7765
115	G	A	0.2816
116	R	A	0.0333
117	T	A	0.0000
118	L	A	0.0000
119	V	A	0.0000
120	V	A	0.0000
121	H	A	0.0000
122	E	A	-1.8739
123	K	A	-1.8054
124	A	A	-0.6770
125	D	A	0.0000
126	D	A	-1.2032
127	L	A	-1.1524
128	G	A	-2.5692
129	K	A	-2.3026
130	G	A	-2.3693
131	G	A	-2.2597
132	N	A	-2.9882
133	E	A	-3.4081
134	E	A	-3.2099
135	S	A	0.0000
136	T	A	-3.2976
137	K	A	-3.2417
138	T	A	-1.8373
139	G	A	0.0000
140	N	A	-2.0731
141	A	A	0.0000
142	G	A	-1.3514
143	S	A	-1.2156
144	R	A	-1.2569
145	L	A	-1.4393
146	A	A	0.0000
147	C	A	0.0000
148	G	A	0.0000
149	V	A	0.9381
150	I	A	0.0000
151	G	A	1.1464
152	I	A	1.7973
153	A	A	0.1925
154	Q	A	-0.8257