Project name: SH3_T129M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.43761 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: 0.8894
• Average score: -0.8816
• Total score value: -52.8974

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	-0.5085
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	-1.1125
99	D	A	-1.1799
100	L	A	0.0000
101	S	A	-1.7793
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	-2.0960
108	L	A	0.0000
109	Q	A	-0.3266
110	I	A	0.2787
111	V	A	0.8894
112	N	A	-0.6444
113	N	A	-1.9187
114	T	A	-1.7845
115	E	A	-2.9386
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3521
119	W	A	-0.8085
120	L	A	0.3737
121	A	A	0.0000
122	H	A	-0.2033
123	S	A	0.0000
124	L	A	-0.2365
125	T	A	-0.8140
126	T	A	-0.7903
127	G	A	-0.6716
128	Q	A	-1.0216
129	M	A	0.2723	mutated: TA129M
130	G	A	0.0000
131	Y	A	0.3098
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2919
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