Project name: SH3_T96R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA96R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.845384 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: -3.8256
• Maximal score value: 1.2492
• Average score: -0.9408
• Total score value: -56.4491

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	-0.3124
90	Y	A	-0.7364
91	D	A	-2.8524
92	Y	A	-2.0674
93	E	A	-3.0495
94	S	A	0.0000
95	R	A	-3.5841
96	R	A	-3.8256	mutated: TA96R
97	E	A	-3.1183
98	T	A	-1.6293
99	D	A	0.0000
100	L	A	0.0000
101	S	A	-2.0278
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8614
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4366
111	V	A	1.2492
112	N	A	-0.4316
113	N	A	-1.8312
114	T	A	-1.7442
115	E	A	-2.9587
116	G	A	-2.6314
117	D	A	-2.7248
118	W	A	-1.3858
119	W	A	-0.7018
120	L	A	0.4364
121	A	A	0.0000
122	H	A	-0.3848
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3778
129	T	A	-0.4373
130	G	A	0.0000
131	Y	A	0.1407
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3124
135	N	A	-1.2599
136	Y	A	-0.2121
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759