Project name: SH3_Y132K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA132K
Energy difference between WT (input) and mutated protein (by FoldX)	0.450294 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: -3.3739
• Maximal score value: 1.7964
• Average score: -1.0827
• Total score value: -61.7165

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
85	T	A	0.5183
86	L	A	0.7945
87	F	A	0.9250
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5595
93	Y	A	-1.9309
94	E	A	-2.6442
95	A	A	-2.7496
96	R	A	-2.9842
97	T	A	-2.6594
98	E	A	-3.2197
99	D	A	-3.3739
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3283
103	F	A	0.0000
104	H	A	-2.7279
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6420
109	F	A	0.0000
110	Q	A	-0.5824
111	I	A	-0.3047
112	L	A	-0.1346
113	N	A	-1.1894
114	S	A	-1.4058
115	S	A	-1.6575
116	E	A	-2.6394
117	G	A	-2.1998
118	D	A	-2.6332
119	W	A	-1.5583
120	W	A	-1.6806
121	E	A	-2.1557
122	A	A	0.0000
123	R	A	-1.9707
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3577
129	E	A	-2.2410
130	T	A	-2.0278
131	G	A	-2.1822
132	K	A	-2.0825	mutated: YA132K
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.1362
136	N	A	-1.1548
137	Y	A	-0.1274
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964