Project name: SH3_W119M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA119M
Energy difference between WT (input) and mutated protein (by FoldX)	0.209508 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: 1.2153
• Average score: -0.8922
• Total score value: -53.5329

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	-0.4508
82	S	A	-0.6824
83	H	A	-0.7912
84	M	A	0.2807
85	T	A	0.0000
86	F	A	-0.0424
87	V	A	-0.5920
88	A	A	0.0000
89	L	A	-0.3050
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	-1.9546
106	E	A	0.0000
107	R	A	-2.0536
108	L	A	0.0000
109	Q	A	-0.2325
110	I	A	0.4081
111	V	A	1.2153
112	N	A	-0.4748
113	N	A	-1.8846
114	T	A	-1.7674
115	E	A	-2.9819
116	G	A	-2.6494
117	D	A	-2.7315
118	W	A	-1.4366
119	M	A	0.0000	mutated: WA119M
120	L	A	0.3145
121	A	A	0.0000
122	H	A	-0.4026
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	-0.4948
130	G	A	0.0000
131	Y	A	0.1567
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3533
135	N	A	-1.2764
136	Y	A	-0.2033
137	V	A	0.0000
138	A	A	-0.0038
139	P	A	-0.1229
140	S	A	-0.1534