Project name: SH3_N113Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0693403 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: -3.4838
• Maximal score value: 1.2371
• Average score: -0.8968
• Total score value: -53.8108

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	-0.4573
82	S	A	-0.6882
83	H	A	-0.7912
84	M	A	0.2557
85	T	A	0.0000
86	F	A	-0.1307
87	V	A	-0.6302
88	A	A	0.0000
89	L	A	-0.3145
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3257
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9641
106	E	A	0.0000
107	R	A	-2.0813
108	L	A	0.0000
109	Q	A	-0.2783
110	I	A	0.3936
111	V	A	1.2371
112	N	A	-0.4059
113	Q	A	-1.7605	mutated: NA113Q
114	T	A	-1.7011
115	E	A	-2.9172
116	G	A	-2.5955
117	D	A	-2.6794
118	W	A	-1.3398
119	W	A	-0.7065
120	L	A	0.3963
121	A	A	0.0000
122	H	A	-0.3995
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	-1.4119
129	T	A	-0.5003
130	G	A	0.0000
131	Y	A	0.2133
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2878
135	N	A	-1.2511
136	Y	A	-0.2057
137	V	A	0.0000
138	A	A	-0.0266
139	P	A	-0.1629
140	S	A	-0.1818