Project name: SH3_E116M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.941973 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: -3.0956
• Maximal score value: 1.7964
• Average score: -0.8039
• Total score value: -45.8201

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	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6181
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0956
99	D	A	-3.0219
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1982
103	F	A	0.0000
104	H	A	-2.7282
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	-0.5073
111	I	A	-0.0501
112	L	A	0.1361
113	N	A	-0.2958
114	S	A	-0.3821
115	S	A	-0.2937
116	M	A	0.1199	mutated: EA116M
117	G	A	-0.8172
118	D	A	-1.8767
119	W	A	-0.6037
120	W	A	-0.5042
121	E	A	-0.7430
122	A	A	0.0000
123	R	A	-1.6973
124	S	A	0.0000
125	L	A	0.0591
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3574
129	E	A	-2.2404
130	T	A	-1.6703
131	G	A	-1.4601
132	Y	A	-0.8084
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9200
136	N	A	-1.1573
137	Y	A	-0.1292
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964