Project name: SH3_T98F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98F
Energy difference between WT (input) and mutated protein (by FoldX)	-1.00707 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: 1.2026
• Average score: -0.8133
• Total score value: -48.7976

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	-2.1077
93	E	A	-2.8844
94	S	A	0.0000
95	R	A	-2.5138
96	T	A	-1.5602
97	E	A	-1.4030
98	F	A	0.6995	mutated: TA98F
99	D	A	-0.4691
100	L	A	0.0000
101	S	A	-1.7189
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	-0.2597
110	I	A	0.3941
111	V	A	1.2026
112	N	A	-0.4714
113	N	A	-1.8522
114	T	A	-1.7413
115	E	A	-2.9451
116	G	A	-2.6079
117	D	A	-2.7054
118	W	A	-1.4170
119	W	A	-0.8048
120	L	A	0.4909
121	A	A	0.0000
122	H	A	-0.4288
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8779
127	G	A	-0.8168
128	Q	A	-1.4137
129	T	A	-0.2374
130	G	A	0.0000
131	Y	A	0.4987
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3214
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