Project name: SH3_D99R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.398333 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: -3.4489
• Maximal score value: 1.2517
• Average score: -0.9745
• Total score value: -58.4727

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	-0.1084
87	V	A	-0.6247
88	A	A	0.0000
89	L	A	-0.2990
90	Y	A	-0.6952
91	D	A	-2.7917
92	Y	A	-2.0628
93	E	A	-2.9191
94	S	A	-2.3360
95	R	A	-2.8809
96	T	A	-2.3117
97	E	A	-2.5086
98	T	A	-1.5157
99	R	A	-1.9069	mutated: DA99R
100	L	A	0.0000
101	S	A	-2.0097
102	F	A	0.0000
103	K	A	-3.4489
104	K	A	-2.8379
105	G	A	-1.9573
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4391
111	V	A	1.2517
112	N	A	-0.4366
113	N	A	-1.8408
114	T	A	-1.7525
115	E	A	-2.9751
116	G	A	-2.6481
117	D	A	-2.7515
118	W	A	-1.5540
119	W	A	-0.8282
120	L	A	0.2880
121	A	A	0.0000
122	H	A	-0.3817
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	-1.4723
129	T	A	-0.5956
130	G	A	0.0000
131	Y	A	-0.0527
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3414
135	N	A	-1.2844
136	Y	A	-0.2333
137	V	A	0.0000
138	A	A	-0.0290
139	P	A	-0.1505
140	S	A	-0.1759