Project name: SH3_D99I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.055567 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: -3.4588
• Maximal score value: 1.2121
• Average score: -0.8879
• Total score value: -53.2736

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	-0.1072
87	V	A	-0.6255
88	A	A	0.0000
89	L	A	-0.3077
90	Y	A	-0.7150
91	D	A	-2.8084
92	Y	A	-1.9437
93	E	A	-2.7472
94	S	A	-1.9526
95	R	A	-2.6560
96	T	A	-1.9513
97	E	A	-2.1616
98	T	A	-0.9152
99	I	A	-0.6398	mutated: DA99I
100	L	A	0.0000
101	S	A	-1.7186
102	F	A	0.0000
103	K	A	-3.4588
104	K	A	-2.8475
105	G	A	-1.9610
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2597
110	I	A	0.4150
111	V	A	1.2121
112	N	A	-0.4985
113	N	A	-1.8566
114	T	A	-1.7599
115	E	A	-2.9586
116	G	A	-2.6240
117	D	A	-2.6973
118	W	A	-1.3024
119	W	A	-0.6594
120	L	A	0.4697
121	A	A	0.0000
122	H	A	-0.3927
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	-1.3425
129	T	A	-0.3752
130	G	A	0.0000
131	Y	A	0.4963
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3033
135	N	A	-1.2648
136	Y	A	-0.2173
137	V	A	0.0000
138	A	A	-0.0267
139	P	A	-0.1505
140	S	A	-0.1759