Project name: SH3_T125S

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125S
Energy difference between WT (input) and mutated protein (by FoldX)	0.188634 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: -3.5159
• Maximal score value: 1.2498
• Average score: -0.9414
• Total score value: -56.483

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	-0.1324
87	V	A	-0.6765
88	A	A	0.0000
89	L	A	-0.3225
90	Y	A	-0.7177
91	D	A	-2.7920
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	-1.8907
102	F	A	0.0000
103	K	A	-3.5159
104	K	A	-2.8856
105	G	A	-2.0576
106	E	A	-2.0132
107	R	A	-2.2057
108	L	A	0.0000
109	Q	A	-0.2491
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	-0.4063
123	S	A	0.0000
124	L	A	-0.3917
125	S	A	-0.9937	mutated: TA125S
126	T	A	-0.9921
127	G	A	-0.8641
128	Q	A	-1.4397
129	T	A	-0.4964
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