Project name: SH3_E116A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116A
Energy difference between WT (input) and mutated protein (by FoldX)	0.211304 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: -3.0708
• Maximal score value: 1.7964
• Average score: -0.8369
• Total score value: -47.7043

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	0.5173
86	L	A	0.7932
87	F	A	0.9238
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	-2.5917
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0708
99	D	A	-2.9699
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1721
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	-0.6426
109	F	A	0.0000
110	Q	A	-0.5240
111	I	A	-0.0674
112	L	A	0.1019
113	N	A	-0.5608
114	S	A	-0.6411
115	S	A	-0.7133
116	A	A	-0.7031	mutated: EA116A
117	G	A	-1.2064
118	D	A	-1.9881
119	W	A	-0.6050
120	W	A	-0.5902
121	E	A	-0.8047
122	A	A	0.0000
123	R	A	-1.6740
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2402
130	T	A	-1.6327
131	G	A	-1.3526
132	Y	A	-0.5945
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8581
136	N	A	-1.1395
137	Y	A	-0.1166
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964