Project name: SH3_D117Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.347472 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: -3.4853
• Maximal score value: 1.252
• Average score: -0.8671
• Total score value: -52.0264

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	-0.6230
88	A	A	0.0000
89	L	A	-0.3153
90	Y	A	-0.7424
91	D	A	-2.8556
92	Y	A	-2.1068
93	E	A	-2.8812
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1532
97	E	A	-2.3518
98	T	A	-1.2397
99	D	A	-1.3286
100	L	A	0.0000
101	S	A	-1.9027
102	F	A	0.0000
103	K	A	-3.4853
104	K	A	-2.8640
105	G	A	-1.9631
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4387
111	V	A	1.2520
112	N	A	-0.4259
113	N	A	-1.7411
114	T	A	-1.6712
115	E	A	-2.7861
116	G	A	-2.3399
117	Q	A	-2.1290	mutated: DA117Q
118	W	A	-1.1271
119	W	A	-0.5962
120	L	A	0.3922
121	A	A	0.0000
122	H	A	-0.3830
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	-1.4117
129	T	A	-0.4938
130	G	A	0.0000
131	Y	A	0.2661
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1230
135	N	A	-1.1532
136	Y	A	-0.2133
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759