Project name: SH3_D99E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99E
Energy difference between WT (input) and mutated protein (by FoldX)	0.173533 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: -3.4903
• Maximal score value: 1.2527
• Average score: -0.9019
• Total score value: -54.1137

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	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3154
90	Y	A	-0.7430
91	D	A	-2.8653
92	Y	A	-2.1408
93	E	A	-2.9066
94	S	A	0.0000
95	R	A	-2.8027
96	T	A	-2.1780
97	E	A	-2.3746
98	T	A	-1.2769
99	E	A	-1.4043	mutated: DA99E
100	L	A	0.0000
101	S	A	-1.9289
102	F	A	0.0000
103	K	A	-3.4903
104	K	A	-2.8658
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4400
111	V	A	1.2527
112	N	A	-0.4191
113	N	A	-1.8152
114	T	A	-1.7353
115	E	A	-2.9413
116	G	A	-2.6136
117	D	A	-2.6908
118	W	A	-1.3644
119	W	A	-0.7084
120	L	A	0.3977
121	A	A	0.0000
122	H	A	-0.3806
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4207
129	T	A	-0.5054
130	G	A	0.0000
131	Y	A	0.2021
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2883
135	N	A	-1.2510
136	Y	A	-0.2098
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759