Project name: SH3_W119L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA119L
Energy difference between WT (input) and mutated protein (by FoldX)	0.897781 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: 1.2171
• Average score: -0.8913
• Total score value: -53.4772

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	-0.4503
82	S	A	-0.6820
83	H	A	-0.7912
84	M	A	0.2837
85	T	A	0.0000
86	F	A	-0.0305
87	V	A	-0.5864
88	A	A	0.0000
89	L	A	-0.3037
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3433
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9533
106	E	A	0.0000
107	R	A	-2.0500
108	L	A	0.0000
109	Q	A	-0.2279
110	I	A	0.4138
111	V	A	1.2171
112	N	A	-0.4738
113	N	A	-1.8839
114	T	A	-1.7674
115	E	A	-2.9820
116	G	A	-2.6496
117	D	A	-2.7318
118	W	A	-1.4369
119	L	A	0.0000	mutated: WA119L
120	L	A	0.3154
121	A	A	0.0000
122	H	A	-0.4017
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	-0.4944
130	G	A	0.0000
131	Y	A	0.1570
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3540
135	N	A	-1.2769
136	Y	A	-0.2024
137	V	A	0.0000
138	A	A	-0.0002
139	P	A	-0.1176
140	S	A	-0.1493