Project name: SH3_T125C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125C
Energy difference between WT (input) and mutated protein (by FoldX)	0.0324174 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: -3.4079
• Maximal score value: 1.2498
• Average score: -0.8882
• Total score value: -53.2947

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	-0.1320
87	V	A	-0.6756
88	A	A	0.0000
89	L	A	-0.3220
90	Y	A	-0.7173
91	D	A	-2.7917
92	Y	A	-2.0658
93	E	A	-2.8634
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1541
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3230
100	L	A	0.0000
101	S	A	-1.8906
102	F	A	0.0000
103	K	A	-3.4079
104	K	A	-2.8847
105	G	A	-1.9340
106	E	A	-1.7221
107	R	A	-1.9241
108	L	A	0.0000
109	Q	A	-0.2511
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	-0.2805
123	S	A	0.0000
124	L	A	0.0620
125	C	A	-0.0524	mutated: TA125C
126	T	A	-0.5359
127	G	A	-0.6068
128	Q	A	-1.2904
129	T	A	-0.4975
130	G	A	0.0000
131	Y	A	0.2196
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.1912
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759