Project name: SH3_T129A

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129A
Energy difference between WT (input) and mutated protein (by FoldX)	0.922083 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: 0.8069
• Average score: -0.9077
• Total score value: -54.4623

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	-0.5019
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0936
87	V	A	-0.6167
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2240
99	D	A	-1.3047
100	L	A	0.0000
101	S	A	-1.8868
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	-2.0021
108	L	A	0.0000
109	Q	A	-0.2982
110	I	A	0.2290
111	V	A	0.8069
112	N	A	-0.6285
113	N	A	-1.9097
114	T	A	-1.7793
115	E	A	-2.9324
116	G	A	-2.6065
117	D	A	-2.6855
118	W	A	-1.3420
119	W	A	-0.7941
120	L	A	0.2679
121	A	A	0.0000
122	H	A	-0.4681
123	S	A	0.0000
124	L	A	-0.0476
125	T	A	-0.6835
126	T	A	-0.8173
127	G	A	-0.7620
128	Q	A	-1.3504
129	A	A	-0.4429	mutated: TA129A
130	G	A	0.0000
131	Y	A	0.1703
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2867
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1460
140	S	A	-0.1759