Project name: SH3_D99V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99V
Energy difference between WT (input) and mutated protein (by FoldX)	0.183948 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: -3.4579
• Maximal score value: 1.2572
• Average score: -0.8843
• Total score value: -53.0607

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	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.1065
87	V	A	-0.6259
88	A	A	0.0000
89	L	A	-0.3099
90	Y	A	-0.7190
91	D	A	-2.8071
92	Y	A	-1.9424
93	E	A	-2.7508
94	S	A	-1.9672
95	R	A	-2.6654
96	T	A	-1.9675
97	E	A	-2.1766
98	T	A	-0.9385
99	V	A	-0.6884	mutated: DA99V
100	L	A	0.0000
101	S	A	-1.7281
102	F	A	0.0000
103	K	A	-3.4579
104	K	A	-2.8486
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0707
108	L	A	0.0000
109	Q	A	-0.2445
110	I	A	0.4436
111	V	A	1.2572
112	N	A	-0.4118
113	N	A	-1.8132
114	T	A	-1.7339
115	E	A	-2.9420
116	G	A	-2.6149
117	D	A	-2.6952
118	W	A	-1.2904
119	W	A	-0.6309
120	L	A	0.5088
121	A	A	0.0000
122	H	A	-0.3792
123	S	A	0.0000
124	L	A	-0.2789
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3479
129	T	A	-0.3807
130	G	A	0.0000
131	Y	A	0.4948
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3006
135	N	A	-1.2657
136	Y	A	-0.2186
137	V	A	0.0000
138	A	A	-0.0270
139	P	A	-0.1501
140	S	A	-0.1759