Project name: SH3_N112R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA112R
Energy difference between WT (input) and mutated protein (by FoldX)	0.229821 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: 0.2676
• Average score: -1.0494
• Total score value: -62.9639

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	-0.5890
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.1034
87	V	A	-0.6218
88	A	A	0.0000
89	L	A	-0.3125
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	-2.1474
97	E	A	-2.3459
98	T	A	-1.2295
99	D	A	-1.3024
100	L	A	0.0000
101	S	A	-1.8951
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0707
108	L	A	0.0000
109	Q	A	-0.7134
110	I	A	-0.4754
111	V	A	-0.5101
112	R	A	-2.2603	mutated: NA112R
113	N	A	-2.7016
114	T	A	-2.2487
115	E	A	-3.1631
116	G	A	-2.7385
117	D	A	-2.6800
118	W	A	-1.5073
119	W	A	-1.3120
120	L	A	-0.4588
121	A	A	0.0000
122	H	A	-0.7849
123	S	A	0.0000
124	L	A	-0.2789
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.6287
130	G	A	0.0000
131	Y	A	-0.0413
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2827
135	N	A	-1.2490
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759