Project name: SH3_Y131K

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA131K
Energy difference between WT (input) and mutated protein (by FoldX)	0.370353 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: -3.4774
• Maximal score value: 1.0424
• Average score: -0.988
• Total score value: -59.2773

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	-0.1047
87	V	A	-0.6192
88	A	A	0.0000
89	L	A	-0.2999
90	Y	A	-0.7095
91	D	A	-2.8409
92	Y	A	-2.1029
93	E	A	-2.8836
94	S	A	0.0000
95	R	A	-2.7844
96	T	A	-2.2901
97	E	A	-2.4899
98	T	A	-1.5550
99	D	A	-1.8447
100	L	A	0.0000
101	S	A	-2.0748
102	F	A	0.0000
103	K	A	-3.4774
104	K	A	-2.8504
105	G	A	-1.9568
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2596
110	I	A	0.2627
111	V	A	1.0424
112	N	A	-0.7411
113	N	A	-2.0224
114	T	A	-1.7789
115	E	A	-2.9642
116	G	A	-2.6331
117	D	A	-2.8278
118	W	A	-1.7185
119	W	A	-1.1472
120	L	A	-0.1411
121	A	A	0.0000
122	H	A	-0.5647
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	-1.4120
129	T	A	-0.7293
130	G	A	0.0000
131	K	A	-1.0245	mutated: YA131K
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.4490
135	N	A	-1.2501
136	Y	A	-0.2022
137	V	A	0.0000
138	A	A	-0.0219
139	P	A	-0.1505
140	S	A	-0.1759