Project name: SH3_T129I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA129I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.515639 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: 1.4432
• Average score: -0.7982
• Total score value: -47.8911

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	-0.4544
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	-0.9657
99	D	A	-1.0149
100	L	A	0.0000
101	S	A	-1.6477
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	-2.0991
108	L	A	0.0000
109	Q	A	-0.1081
110	I	A	0.5851
111	V	A	1.4432
112	N	A	-0.4238
113	N	A	-1.8109
114	T	A	-1.7299
115	E	A	-2.9355
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3463
119	W	A	-0.7133
120	L	A	0.7169
121	A	A	0.0000
122	H	A	0.2581
123	S	A	0.0000
124	L	A	-0.1154
125	T	A	-0.8093
126	T	A	-0.6550
127	G	A	-0.4448
128	Q	A	-0.5725
129	I	A	1.2338	mutated: TA129I
130	G	A	0.0000
131	Y	A	0.5497
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2888
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