Project name: SH3_R123R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0150554 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.9949
• Total score value: -56.7075

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	0.4803
86	L	A	0.6797
87	F	A	0.8649
88	V	A	0.3916
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	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0431
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2057
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3372
108	K	A	-0.7708
109	F	A	0.0000
110	Q	A	-0.7858
111	I	A	-0.1523
112	L	A	0.1623
113	N	A	-0.8485
114	S	A	-1.1503
115	S	A	-1.5821
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0796
121	E	A	-1.1961
122	A	A	0.0000
123	R	A	-2.0719	mutated: RA123R
124	S	A	0.0000
125	L	A	-0.1879
126	T	A	-0.5779
127	T	A	-0.8958
128	G	A	-1.4856
129	E	A	-2.3430
130	T	A	-1.8356
131	G	A	-1.5479
132	Y	A	-0.8932
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7565
141	V	A	1.7964