Project name: SH3_W118R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118R
Energy difference between WT (input) and mutated protein (by FoldX)	0.317252 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: -3.476
• Maximal score value: 1.2712
• Average score: -0.9886
• Total score value: -59.3162

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	-0.1038
87	V	A	-0.6194
88	A	A	0.0000
89	L	A	-0.3008
90	Y	A	-0.7144
91	D	A	-2.8367
92	Y	A	-2.0769
93	E	A	-2.8569
94	S	A	0.0000
95	R	A	-2.7589
96	T	A	-2.1290
97	E	A	-2.3302
98	T	A	-1.2085
99	D	A	-1.3884
100	L	A	0.0000
101	S	A	-1.8868
102	F	A	0.0000
103	K	A	-3.4760
104	K	A	-2.8512
105	G	A	-1.9589
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2387
110	I	A	0.4461
111	V	A	1.2712
112	N	A	-0.5292
113	N	A	-2.0312
114	T	A	-1.8779
115	E	A	-3.2478
116	G	A	-2.9383
117	D	A	-3.2799
118	R	A	-2.5392	mutated: WA118R
119	W	A	-1.2790
120	L	A	0.1523
121	A	A	0.0000
122	H	A	-0.3889
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3994
129	T	A	-0.4912
130	G	A	0.0000
131	Y	A	-0.1596
132	I	A	0.0000
133	P	A	-1.0254
134	S	A	-1.6891
135	N	A	-1.4191
136	Y	A	-0.3241
137	V	A	0.0000
138	A	A	-0.0203
139	P	A	-0.1505
140	S	A	-0.1759