Project name: SH3_T114S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114S
Energy difference between WT (input) and mutated protein (by FoldX)	0.107287 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: 1.1937
• Average score: -0.9132
• Total score value: -54.7904

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	-0.6223
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	-2.1620
97	E	A	-2.3606
98	T	A	-1.2564
99	D	A	-1.3524
100	L	A	0.0000
101	S	A	-1.9134
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2550
110	I	A	0.4130
111	V	A	1.1937
112	N	A	-0.5486
113	N	A	-1.9311
114	S	A	-1.8998	mutated: TA114S
115	E	A	-3.0237
116	G	A	-2.6584
117	D	A	-2.7228
118	W	A	-1.4149
119	W	A	-0.7745
120	L	A	0.3467
121	A	A	0.0000
122	H	A	-0.3971
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	-0.5036
130	G	A	0.0000
131	Y	A	0.1409
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3006
135	N	A	-1.2524
136	Y	A	-0.2068
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759