Project name: SH3_N113R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.195564 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: 1.0721
• Average score: -0.9569
• Total score value: -57.4167

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	-0.4934
82	S	A	-0.7348
83	H	A	-0.8611
84	M	A	0.0655
85	T	A	0.0000
86	F	A	0.0000
87	V	A	-0.7219
88	A	A	0.0000
89	L	A	-0.3370
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	-1.3233
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	-1.9867
106	E	A	0.0000
107	R	A	-2.1389
108	L	A	0.0000
109	Q	A	-0.3751
110	I	A	0.1543
111	V	A	1.0721
112	N	A	-0.7255
113	R	A	-2.4076	mutated: NA113R
114	T	A	-2.0130
115	E	A	-3.1299
116	G	A	-2.7482
117	D	A	-2.7683
118	W	A	-1.4588
119	W	A	-0.9393
120	L	A	0.2413
121	A	A	0.0000
122	H	A	-0.4077
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	-0.5047
130	G	A	0.0000
131	Y	A	0.1456
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3751
135	N	A	-1.2489
136	Y	A	-0.2258
137	V	A	0.0000
138	A	A	-0.0883
139	P	A	-0.2789
140	S	A	-0.2796