Project name: SH3_H122F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.895663 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.4838
• Maximal score value: 1.4594
• Average score: -0.8409
• Total score value: -50.4568

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
81	G	A	-0.4369
82	S	A	-0.6637
83	H	A	-0.7777
84	M	A	0.2911
85	T	A	0.0000
86	F	A	-0.0733
87	V	A	-0.6063
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2417
99	D	A	-1.3232
100	L	A	0.0000
101	S	A	-1.9037
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-1.9709
108	L	A	0.0000
109	Q	A	0.1138
110	I	A	0.6849
111	V	A	1.4594
112	N	A	-0.3227
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6178
120	L	A	0.5835
121	A	A	0.0000
122	F	A	0.3931	mutated: HA122F
123	S	A	0.0000
124	L	A	-0.1576
125	T	A	-0.7234
126	T	A	-0.7878
127	G	A	-0.6503
128	Q	A	-1.2061
129	T	A	-0.1686
130	G	A	0.0000
131	Y	A	0.3273
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1376
140	S	A	-0.1759