Project name: SH3_W118L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118L
Energy difference between WT (input) and mutated protein (by FoldX)	0.420114 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: -3.4627
• Maximal score value: 1.2667
• Average score: -0.8949
• Total score value: -53.6969

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	-0.3030
90	Y	A	-0.7161
91	D	A	-2.8120
92	Y	A	-2.0232
93	E	A	-2.8370
94	S	A	0.0000
95	R	A	-2.7704
96	T	A	-2.1625
97	E	A	-2.3618
98	T	A	-1.2634
99	D	A	-1.3351
100	L	A	0.0000
101	S	A	-1.8909
102	F	A	0.0000
103	K	A	-3.4627
104	K	A	-2.8479
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2387
110	I	A	0.4424
111	V	A	1.2667
112	N	A	-0.3632
113	N	A	-1.7738
114	T	A	-1.6968
115	E	A	-2.8891
116	G	A	-2.5723
117	D	A	-2.6473
118	L	A	-1.2521	mutated: WA118L
119	W	A	-0.6596
120	L	A	0.4188
121	A	A	0.0000
122	H	A	-0.3928
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	-1.4093
129	T	A	-0.5136
130	G	A	0.0000
131	Y	A	0.1312
132	I	A	0.0000
133	P	A	-0.5357
134	S	A	-1.2765
135	N	A	-1.2409
136	Y	A	-0.1877
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759