Project name: SH3_T125W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA125W
Energy difference between WT (input) and mutated protein (by FoldX)	0.130789 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: -2.9986
• Maximal score value: 1.2498
• Average score: -0.7899
• Total score value: -47.3961

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	-0.0018
87	V	A	-0.4197
88	A	A	0.0000
89	L	A	-0.1952
90	Y	A	-0.6195
91	D	A	-2.7041
92	Y	A	-2.0453
93	E	A	-2.8453
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.8549
102	F	A	0.0000
103	K	A	-2.9986
104	K	A	-2.5627
105	G	A	-1.3710
106	E	A	0.0000
107	R	A	-1.3869
108	L	A	0.0000
109	Q	A	-0.2127
110	I	A	0.4600
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	-0.1974
123	S	A	0.0000
124	L	A	0.3437
125	W	A	0.5727	mutated: TA125W
126	T	A	-0.2374
127	G	A	-0.4937
128	Q	A	-1.2239
129	T	A	-0.5023
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1256
140	S	A	-0.1404