Project name: SH3_T129E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129E
Energy difference between WT (input) and mutated protein (by FoldX)	0.74717 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: 0.8615
• Average score: -1.021
• Total score value: -61.2579

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	-0.4770
82	S	A	-0.6956
83	H	A	-0.8006
84	M	A	0.2500
85	T	A	0.0000
86	F	A	-0.1258
87	V	A	-0.6334
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	-1.5241
99	D	A	-1.6417
100	L	A	0.0000
101	S	A	-2.1568
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	-2.1028
108	L	A	0.0000
109	Q	A	-0.5963
110	I	A	0.1326
111	V	A	0.8615
112	N	A	-0.4991
113	N	A	-1.8477
114	T	A	-1.7487
115	E	A	-2.9386
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3521
119	W	A	-0.7464
120	L	A	-0.0435
121	A	A	0.0000
122	H	A	-1.2336
123	S	A	0.0000
124	L	A	-0.5514
125	T	A	-0.7949
126	T	A	-1.1305
127	G	A	-1.2271
128	Q	A	-2.2801
129	E	A	-2.2972	mutated: TA129E
130	G	A	0.0000
131	Y	A	-0.1755
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	-0.1594
140	S	A	-0.1759