Project name: SH3_Y90S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA90S
Energy difference between WT (input) and mutated protein (by FoldX)	0.621007 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: -3.7316
• Maximal score value: 1.2498
• Average score: -0.9431
• Total score value: -56.5873

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	-0.0498
87	V	A	-0.6549
88	A	A	0.0000
89	L	A	-0.5609
90	S	A	-1.7523	mutated: YA90S
91	D	A	-3.3612
92	Y	A	-2.3569
93	E	A	-2.8827
94	S	A	0.0000
95	R	A	-2.7839
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3232
100	L	A	0.0000
101	S	A	-1.9042
102	F	A	0.0000
103	K	A	-3.7316
104	K	A	-3.2385
105	G	A	-2.0921
106	E	A	0.0000
107	R	A	-2.0624
108	L	A	0.0000
109	Q	A	-0.2458
110	I	A	0.4371
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8143
114	T	A	-1.7328
115	E	A	-2.9364
116	G	A	-2.6087
117	D	A	-2.6847
118	W	A	-1.3378
119	W	A	-0.6980
120	L	A	0.4046
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	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2196
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2709
135	N	A	-1.3139
136	Y	A	-0.3792
137	V	A	0.0000
138	A	A	0.0615
139	P	A	-0.1430
140	S	A	-0.1681