Project name: SH3_D117S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117S
Energy difference between WT (input) and mutated protein (by FoldX)	0.300277 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: 1.252
• Average score: -0.8019
• Total score value: -48.1168

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	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1053
93	E	A	-2.8812
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1532
97	E	A	-2.3518
98	T	A	-1.2397
99	D	A	-1.3120
100	L	A	0.0000
101	S	A	-1.9027
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4387
111	V	A	1.2520
112	N	A	-0.4075
113	N	A	-1.5701
114	T	A	-1.5339
115	E	A	-2.4651
116	G	A	-1.8192
117	S	A	-1.0761	mutated: DA117S
118	W	A	-0.5093
119	W	A	-0.3030
120	L	A	0.4233
121	A	A	0.0000
122	H	A	-0.3830
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	-0.4938
130	G	A	0.0000
131	Y	A	0.4085
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.7679
135	N	A	-0.9555
136	Y	A	-0.1973
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759