Project name: SH3_N112C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA112C
Energy difference between WT (input) and mutated protein (by FoldX)	0.865311 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: 1.4172
• Average score: -0.8621
• Total score value: -51.7287

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	-0.4790
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	-2.1646
97	E	A	-2.3633
98	T	A	-1.2674
99	D	A	-1.3686
100	L	A	0.0000
101	S	A	-1.9166
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	-0.2085
110	I	A	0.5519
111	V	A	1.4172
112	C	A	0.2941	mutated: NA112C
113	N	A	-1.4736
114	T	A	-1.5142
115	E	A	-2.7987
116	G	A	-2.5315
117	D	A	-2.7083
118	W	A	-1.2866
119	W	A	-0.5335
120	L	A	0.5895
121	A	A	0.0000
122	H	A	-0.3600
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	-0.5442
130	G	A	0.0000
131	Y	A	0.1992
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3083
135	N	A	-1.2524
136	Y	A	-0.2068
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759