Project name: SH3_T98C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA98C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.37066 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: 1.2333
• Average score: -0.8698
• Total score value: -52.1868

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	-2.6949
96	T	A	-1.9607
97	E	A	-2.0386
98	C	A	-0.5979	mutated: TA98C
99	D	A	-1.0588
100	L	A	0.0000
101	S	A	-1.8485
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	0.4217
111	V	A	1.2333
112	N	A	-0.4390
113	N	A	-1.8285
114	T	A	-1.7347
115	E	A	-2.9381
116	G	A	-2.6085
117	D	A	-2.6949
118	W	A	-1.3755
119	W	A	-0.7408
120	L	A	0.4294
121	A	A	0.0000
122	H	A	-0.4013
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	-1.4139
129	T	A	-0.4142
130	G	A	0.0000
131	Y	A	0.2818
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3005
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