Project name: SH3_R123E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123E
Energy difference between WT (input) and mutated protein (by FoldX)	1.19618 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -3.1032
• Maximal score value: 1.795
• Average score: -0.8947
• Total score value: -50.9995

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	0.5088
86	L	A	0.8496
87	F	A	0.9096
88	V	A	0.4213
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6261
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1032
99	D	A	-3.0563
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2096
103	F	A	0.0000
104	H	A	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3158
108	K	A	-0.5534
109	F	A	0.0000
110	Q	A	-0.2426
111	I	A	0.2299
112	L	A	0.5552
113	N	A	-0.7709
114	S	A	-1.1276
115	S	A	-1.5685
116	E	A	-2.5693
117	G	A	-2.1411
118	D	A	-2.4522
119	W	A	-1.1192
120	W	A	-0.9544
121	E	A	-0.9839
122	A	A	0.0000
123	E	A	-0.9450	mutated: RA123E
124	S	A	0.0000
125	L	A	0.2203
126	T	A	-0.3699
127	T	A	-0.6908
128	G	A	-1.0995
129	E	A	-2.0002
130	T	A	-1.3672
131	G	A	-1.3320
132	Y	A	-0.7691
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9291
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4150
140	P	A	0.7708
141	V	A	1.7950