Project name: SH3_T129S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129S
Energy difference between WT (input) and mutated protein (by FoldX)	0.546092 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: 1.2372
• Average score: -0.9038
• Total score value: -54.231

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	-0.4531
82	S	A	-0.6854
83	H	A	-0.7932
84	M	A	0.2632
85	T	A	0.0000
86	F	A	-0.1090
87	V	A	-0.6247
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2568
99	D	A	-1.3394
100	L	A	0.0000
101	S	A	-1.9241
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	-2.0835
108	L	A	0.0000
109	Q	A	-0.2912
110	I	A	0.4193
111	V	A	1.2372
112	N	A	-0.4049
113	N	A	-1.8007
114	T	A	-1.7256
115	E	A	-2.9294
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3298
119	W	A	-0.6739
120	L	A	0.4225
121	A	A	0.0000
122	H	A	-0.4787
123	S	A	0.0000
124	L	A	-0.3207
125	T	A	-0.7899
126	T	A	-0.9063
127	G	A	-0.8619
128	Q	A	-1.4946
129	S	A	-0.6466	mutated: TA129S
130	G	A	0.0000
131	Y	A	0.2107
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2789
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1524
140	S	A	-0.1759