Project name: SH3_T98D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.170276 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: 1.2377
• Average score: -0.9895
• Total score value: -59.3721

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	-2.8528
92	Y	A	-2.1075
93	E	A	-2.8841
94	S	A	0.0000
95	R	A	-3.0208
96	T	A	-2.6970
97	E	A	-3.1989
98	D	A	-2.9863	mutated: TA98D
99	D	A	-2.1980
100	L	A	0.0000
101	S	A	-2.1007
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2512
110	I	A	0.4260
111	V	A	1.2377
112	N	A	-0.4339
113	N	A	-1.8244
114	T	A	-1.7347
115	E	A	-2.9381
116	G	A	-2.6085
117	D	A	-2.6909
118	W	A	-1.3649
119	W	A	-0.7279
120	L	A	0.1417
121	A	A	0.0000
122	H	A	-0.3960
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4137
129	T	A	-0.7834
130	G	A	0.0000
131	Y	A	-0.3007
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2955
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