Project name: SH3_T129R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.17214 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: 0.321
• Average score: -1.0599
• Total score value: -63.5962

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	-0.5356
82	S	A	-0.6871
83	H	A	-0.7945
84	M	A	0.2610
85	T	A	0.0000
86	F	A	-0.1119
87	V	A	-0.6262
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.5341
99	D	A	-1.6536
100	L	A	0.0000
101	S	A	-2.1603
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	-2.0976
108	L	A	0.0000
109	Q	A	-0.7072
110	I	A	-0.1205
111	V	A	0.3210
112	N	A	-0.7722
113	N	A	-1.9815
114	T	A	-1.8165
115	E	A	-2.9446
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3630
119	W	A	-0.8773
120	L	A	-0.2710
121	A	A	0.0000
122	H	A	-1.3975
123	S	A	0.0000
124	L	A	-0.5741
125	T	A	-0.8155
126	T	A	-1.1628
127	G	A	-1.2878
128	Q	A	-2.3234
129	R	A	-2.4131	mutated: TA129R
130	G	A	0.0000
131	Y	A	-0.2678
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2977
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1536
140	S	A	-0.1759