Project name: H72Y [mutate: HY72F]

Chain sequence(s)	F: AATTKAVCVLKGGDDGGPPVVQGIINFEQKESNGPVKKVWGSIKGLTEGLHGFHVHEFGDNNTAGCTSAGPHFNPLSSRKHGGPKDEEERHVGDLGNVTADKDGVADDVSIEEDSVISLSSGGDDHCCIIGRTLVVHEKKADDLGKKGGNNEEESTKTGNAGSRLACGVIGIAQ
Selected Chain(s)	F
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	HY72F
Energy difference between WT (input) and mutated protein (by FoldX)	12.1381 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 F 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                                                       (00:02:55)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)

• Minimal score value: -3.8777
• Maximal score value: 1.8032
• Average score: -0.915
• Total score value: -139.9895

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
2	A	F	-1.6629
3	T	F	-1.3055
4	K	F	-0.9886
5	A	F	0.0000
6	V	F	1.2384
7	C	F	0.0000
8	V	F	1.3002
9	L	F	0.0000
10	K	F	-2.0620
11	G	F	-2.2739
12	D	F	-2.6741
13	G	F	-2.1366
14	P	F	-2.1994
15	V	F	0.0000
16	Q	F	-1.8968
17	G	F	0.0000
18	I	F	1.2409
19	I	F	0.0000
20	N	F	-0.0045
21	F	F	0.0000
22	E	F	-2.2561
23	Q	F	0.0000
24	K	F	-3.2711
25	E	F	-3.3304
26	S	F	-2.2466
27	N	F	-2.3226
28	G	F	-2.1897
29	P	F	-1.7870
30	V	F	0.0000
31	K	F	-2.2387
32	V	F	0.0000
33	W	F	-0.5775
34	G	F	-0.1079
35	S	F	-0.8006
36	I	F	0.0000
37	K	F	-2.4695
38	G	F	-2.2217
39	L	F	0.0000
40	T	F	-2.2627
41	E	F	-3.1507
42	G	F	-1.2589
43	L	F	-0.0913
44	H	F	0.0000
45	G	F	0.0000
46	F	F	0.0000
47	H	F	0.0000
48	V	F	0.0000
49	H	F	0.0000
50	E	F	-0.0834
51	F	F	0.7368
52	G	F	-0.0854
53	D	F	-0.8172
54	N	F	-0.8929
55	T	F	-0.7443
56	A	F	-0.4621
57	G	F	-0.8816
58	C	F	-0.5258
59	T	F	-0.3764
60	S	F	-0.4256
61	A	F	0.0000
62	G	F	-0.1581
63	P	F	-0.3736
64	H	F	0.0000
65	F	F	0.0000
66	N	F	-0.7867
67	P	F	-0.4540
68	L	F	-0.0155
69	S	F	-1.0494
70	R	F	-2.9055
71	K	F	-3.1871
72	Y	F	0.0000	mutated: HY72F
73	G	F	0.0000
74	G	F	0.0000
75	P	F	-1.7736
76	K	F	-2.7629
77	D	F	-3.1888
78	E	F	-3.6462
79	E	F	-3.5365
80	R	F	0.0000
81	H	F	0.0000
82	V	F	0.0000
83	G	F	0.0000
84	D	F	0.0000
85	L	F	0.0000
86	G	F	0.0000
87	N	F	-0.1137
88	V	F	0.0000
89	T	F	-0.9035
90	A	F	0.0000
91	D	F	-3.7630
92	K	F	-3.8777
93	D	F	-3.6565
94	G	F	0.0000
95	V	F	-2.4977
96	A	F	0.0000
97	D	F	-2.1109
98	V	F	0.0000
99	S	F	-1.0163
100	I	F	-1.1314
101	E	F	-2.1601
102	D	F	0.0000
103	S	F	-0.8408
104	V	F	-0.1010
105	I	F	0.0000
106	S	F	-0.9499
107	L	F	0.0000
108	S	F	-1.0830
109	G	F	-1.4262
110	D	F	-2.1402
111	H	F	-0.9547
112	C	F	-0.7224
113	I	F	0.0000
114	I	F	0.6185
115	G	F	0.3038
116	R	F	-0.0026
117	T	F	0.0000
118	L	F	0.0000
119	V	F	0.0000
120	V	F	0.0000
121	H	F	0.0000
122	E	F	-2.0821
123	K	F	-1.8715
124	A	F	-0.7256
125	D	F	0.0000
126	D	F	-1.4751
127	L	F	-1.1918
128	G	F	0.0000
129	K	F	-2.6081
130	G	F	-2.3859
131	G	F	-2.2957
132	N	F	-3.0250
133	E	F	-3.6534
134	E	F	-3.6141
135	S	F	0.0000
136	T	F	-3.2028
137	K	F	-3.1297
138	T	F	-1.8184
139	G	F	0.0000
140	N	F	-2.0928
141	A	F	0.0000
142	G	F	-1.3480
143	S	F	-1.2264
144	R	F	-1.2040
145	L	F	-1.4960
146	A	F	0.0000
147	C	F	0.0000
148	G	F	0.0000
149	V	F	1.1385
150	I	F	0.0000
151	G	F	1.1277
152	I	F	1.8032
153	A	F	0.1674
154	Q	F	-0.8470