Project name: SH3_W118K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118K
Energy difference between WT (input) and mutated protein (by FoldX)	0.474394 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: -3.4657
• Maximal score value: 1.265
• Average score: -0.9889
• Total score value: -59.3353

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	-0.2961
90	Y	A	-0.7043
91	D	A	-2.8167
92	Y	A	-2.0365
93	E	A	-2.8371
94	S	A	0.0000
95	R	A	-2.7552
96	T	A	-2.1279
97	E	A	-2.3291
98	T	A	-1.2059
99	D	A	-1.3839
100	L	A	0.0000
101	S	A	-1.8719
102	F	A	0.0000
103	K	A	-3.4657
104	K	A	-2.8445
105	G	A	-1.9589
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2410
110	I	A	0.4429
111	V	A	1.2650
112	N	A	-0.5462
113	N	A	-2.0433
114	T	A	-1.8867
115	E	A	-3.2591
116	G	A	-2.9487
117	D	A	-3.2939
118	K	A	-2.5697	mutated: WA118K
119	W	A	-1.2961
120	L	A	0.1420
121	A	A	0.0000
122	H	A	-0.3891
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	-1.3996
129	T	A	-0.4892
130	G	A	0.0000
131	Y	A	-0.1572
132	I	A	0.0000
133	P	A	-1.0323
134	S	A	-1.6989
135	N	A	-1.4244
136	Y	A	-0.3219
137	V	A	0.0000
138	A	A	-0.0203
139	P	A	-0.1505
140	S	A	-0.1759