Project name: SH3_Y90I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA90I
Energy difference between WT (input) and mutated protein (by FoldX)	0.813324 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: -3.362
• Maximal score value: 1.2498
• Average score: -0.8751
• Total score value: -52.5062

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	-0.0786
87	V	A	-0.5191
88	A	A	0.0000
89	L	A	-0.0024
90	I	A	-0.2949	mutated: YA90I
91	D	A	-2.6416
92	Y	A	-2.0008
93	E	A	-2.8796
94	S	A	0.0000
95	R	A	-2.7833
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3256
100	L	A	0.0000
101	S	A	-1.9022
102	F	A	0.0000
103	K	A	-3.3620
104	K	A	-2.6527
105	G	A	-1.8515
106	E	A	0.0000
107	R	A	-2.0613
108	L	A	0.0000
109	Q	A	-0.2454
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	-2.9363
116	G	A	-2.6118
117	D	A	-2.6914
118	W	A	-1.3557
119	W	A	-0.7040
120	L	A	0.4014
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	0.2142
132	I	A	0.0000
133	P	A	-0.5735
134	S	A	-1.3096
135	N	A	-1.2111
136	Y	A	-0.0945
137	V	A	0.0000
138	A	A	0.0084
139	P	A	-0.1422
140	S	A	-0.1672