Project name: SH3_T125M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.14291 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: -3.2427
• Maximal score value: 1.2498
• Average score: -0.8355
• Total score value: -50.1288

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.0875
87	V	A	-0.5687
88	A	A	0.0000
89	L	A	-0.2608
90	Y	A	-0.6853
91	D	A	-2.7880
92	Y	A	-2.0795
93	E	A	-2.8658
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.8825
102	F	A	0.0000
103	K	A	-3.2427
104	K	A	-2.7430
105	G	A	-1.6796
106	E	A	0.0000
107	R	A	-1.7561
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.2621
123	S	A	0.0000
124	L	A	0.1609
125	M	A	0.1497	mutated: TA125M
126	T	A	-0.4319
127	G	A	-0.5697
128	Q	A	-1.2686
129	T	A	-0.4952
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759