Project name: SH3_V111M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.3377 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: 0.4863
• Average score: -0.9378
• Total score value: -56.2668

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	-0.5511
82	S	A	-0.6793
83	H	A	-0.7888
84	M	A	0.2711
85	T	A	0.0000
86	F	A	-0.0989
87	V	A	-0.6195
88	A	A	0.0000
89	L	A	-0.3125
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	-2.1605
97	E	A	-2.3591
98	T	A	-1.2546
99	D	A	-1.3458
100	L	A	0.0000
101	S	A	-1.9080
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0634
108	L	A	0.0000
109	Q	A	-0.4319
110	I	A	0.0786
111	M	A	0.4863	mutated: VA111M
112	N	A	-0.6856
113	N	A	-1.9427
114	T	A	-1.7868
115	E	A	-2.9116
116	G	A	-2.5932
117	D	A	-2.6907
118	W	A	-1.3416
119	W	A	-0.8410
120	L	A	0.1547
121	A	A	0.0000
122	H	A	-0.5400
123	S	A	0.0000
124	L	A	-0.2615
125	T	A	-0.7743
126	T	A	-0.8679
127	G	A	-0.7998
128	Q	A	-1.3920
129	T	A	-0.5786
130	G	A	0.0000
131	Y	A	0.0836
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2950
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1482
140	S	A	-0.1759