Project name: SH3_R123M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.246596 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: -3.1029
• Maximal score value: 1.795
• Average score: -0.8655
• Total score value: -49.3316

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	0.5164
86	L	A	0.8948
87	F	A	0.8909
88	V	A	0.3968
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5597
93	Y	A	-1.9312
94	E	A	-2.6448
95	A	A	-2.6256
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1029
99	D	A	-3.0558
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2073
103	F	A	0.0000
104	H	A	-2.7285
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3711
108	K	A	-0.5364
109	F	A	0.0000
110	Q	A	-0.0661
111	I	A	0.3932
112	L	A	0.6692
113	N	A	-0.7792
114	S	A	-1.1332
115	S	A	-1.5718
116	E	A	-2.5699
117	G	A	-2.1414
118	D	A	-2.4523
119	W	A	-1.1192
120	W	A	-0.8872
121	E	A	-0.8555
122	A	A	0.0000
123	M	A	-0.3819	mutated: RA123M
124	S	A	0.0000
125	L	A	0.1045
126	T	A	-0.4278
127	T	A	-0.6940
128	G	A	-1.0387
129	E	A	-1.8609
130	T	A	-1.1231
131	G	A	-1.1926
132	Y	A	-0.6825
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9287
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4150
140	P	A	0.7744
141	V	A	1.7950