Project name: SH3_T126S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126S
Energy difference between WT (input) and mutated protein (by FoldX)	0.69703 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: -3.4973
• Maximal score value: 1.2498
• Average score: -0.9009
• Total score value: -54.055

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	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8544
92	Y	A	-2.1085
93	E	A	-2.8852
94	S	A	0.0000
95	R	A	-2.7850
96	T	A	-2.1551
97	E	A	-2.3526
98	T	A	-1.2424
99	D	A	-1.3251
100	L	A	0.0000
101	S	A	-1.9235
102	F	A	0.0000
103	K	A	-3.4973
104	K	A	-2.8616
105	G	A	-1.9629
106	E	A	0.0000
107	R	A	-2.0867
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	-0.3967
123	S	A	0.0000
124	L	A	-0.3092
125	T	A	-0.8318
126	S	A	-0.9765	mutated: TA126S
127	G	A	-0.8563
128	Q	A	-1.4415
129	T	A	-0.5077
130	G	A	0.0000
131	Y	A	0.2184
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