Project name: SH3_T125E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00134268 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: -3.6755
• Maximal score value: 1.2498
• Average score: -0.9831
• Total score value: -58.9841

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	-0.0801
87	V	A	-0.5918
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8529
92	Y	A	-2.1057
93	E	A	-2.8817
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1541
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3230
100	L	A	0.0000
101	S	A	-1.9049
102	F	A	0.0000
103	K	A	-3.6755
104	K	A	-2.8507
105	G	A	-2.1693
106	E	A	0.0000
107	R	A	-2.5258
108	L	A	0.0000
109	Q	A	-0.2379
110	I	A	0.4457
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	-0.6205
123	S	A	0.0000
124	L	A	-1.1508
125	E	A	-2.5364	mutated: TA125E
126	T	A	-1.7391
127	G	A	-1.3170
128	Q	A	-1.7020
129	T	A	-0.5005
130	G	A	0.0000
131	Y	A	0.2196
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	-0.1411
140	S	A	-0.1625