Project name: SH3_D117R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.216633 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: -3.4835
• Maximal score value: 1.2501
• Average score: -0.9059
• Total score value: -54.3521

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	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3124
90	Y	A	-0.7364
91	D	A	-2.8522
92	Y	A	-2.1037
93	E	A	-2.8801
94	S	A	0.0000
95	R	A	-2.7826
96	T	A	-2.1522
97	E	A	-2.3508
98	T	A	-1.2382
99	D	A	-1.3303
100	L	A	0.0000
101	S	A	-1.9014
102	F	A	0.0000
103	K	A	-3.4835
104	K	A	-2.8614
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4375
111	V	A	1.2501
112	N	A	-0.4351
113	N	A	-1.8452
114	T	A	-1.7555
115	E	A	-2.9839
116	G	A	-2.6679
117	R	A	-2.7955	mutated: DA117R
118	W	A	-1.4840
119	W	A	-0.7658
120	L	A	0.3806
121	A	A	0.0000
122	H	A	-0.3837
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	-1.4113
129	T	A	-0.4935
130	G	A	0.0000
131	Y	A	0.1865
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3399
135	N	A	-1.2747
136	Y	A	-0.2158
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759