Project name: SH3_D117L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117L
Energy difference between WT (input) and mutated protein (by FoldX)	-0.24534 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: -3.4794
• Maximal score value: 1.2498
• Average score: -0.7086
• Total score value: -42.5136

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	-0.1042
87	V	A	-0.6199
88	A	A	0.0000
89	L	A	-0.3035
90	Y	A	-0.7189
91	D	A	-2.8440
92	Y	A	-2.1008
93	E	A	-2.8812
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1535
97	E	A	-2.3521
98	T	A	-1.2405
99	D	A	-1.3233
100	L	A	0.0000
101	S	A	-1.9030
102	F	A	0.0000
103	K	A	-3.4794
104	K	A	-2.8541
105	G	A	-1.9589
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4373
111	V	A	1.2498
112	N	A	-0.4224
113	N	A	-1.3329
114	T	A	-1.3357
115	E	A	-1.9831
116	G	A	-0.9819
117	L	A	0.6440	mutated: DA117L
118	W	A	0.2621
119	W	A	0.0563
120	L	A	0.4010
121	A	A	0.0000
122	H	A	-0.3840
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	-1.4117
129	T	A	-0.4947
130	G	A	0.0000
131	Y	A	0.5676
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.2384
135	N	A	-0.6466
136	Y	A	-0.1991
137	V	A	0.0000
138	A	A	-0.0208
139	P	A	-0.1505
140	S	A	-0.1759