Project name: SH3_D99A

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.121923 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: -3.4551
• Maximal score value: 1.2555
• Average score: -0.8981
• Total score value: -53.8845

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1084
87	V	A	-0.6277
88	A	A	0.0000
89	L	A	-0.3115
90	Y	A	-0.7187
91	D	A	-2.8030
92	Y	A	-1.9643
93	E	A	-2.7869
94	S	A	-2.0505
95	R	A	-2.7181
96	T	A	-2.0512
97	E	A	-2.2540
98	T	A	-1.0674
99	A	A	-0.9497	mutated: DA99A
100	L	A	0.0000
101	S	A	-1.7882
102	F	A	0.0000
103	K	A	-3.4551
104	K	A	-2.8481
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4427
111	V	A	1.2555
112	N	A	-0.4082
113	N	A	-1.8012
114	T	A	-1.7271
115	E	A	-2.9253
116	G	A	-2.5975
117	D	A	-2.6607
118	W	A	-1.2533
119	W	A	-0.6241
120	L	A	0.4883
121	A	A	0.0000
122	H	A	-0.3775
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3767
129	T	A	-0.4254
130	G	A	0.0000
131	Y	A	0.4182
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2791
135	N	A	-1.2608
136	Y	A	-0.2190
137	V	A	0.0000
138	A	A	-0.0288
139	P	A	-0.1505
140	S	A	-0.1759