Project name: SH3_R123S

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123S
Energy difference between WT (input) and mutated protein (by FoldX)	1.04636 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.8936
• Total score value: -50.937

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	0.4418
86	L	A	0.7802
87	F	A	0.8355
88	V	A	0.3856
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	-3.0463
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2082
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3042
108	K	A	-0.5444
109	F	A	0.0000
110	Q	A	-0.4583
111	I	A	0.1577
112	L	A	0.5197
113	N	A	-0.8119
114	S	A	-1.1246
115	S	A	-1.5675
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-0.9218
121	E	A	-0.8930
122	A	A	0.0000
123	S	A	-0.6946	mutated: RA123S
124	S	A	0.0000
125	L	A	0.2371
126	T	A	-0.3451
127	T	A	-0.7132
128	G	A	-1.2033
129	E	A	-1.9602
130	T	A	-1.2567
131	G	A	-1.2382
132	Y	A	-0.6879
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9203
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7381
141	V	A	1.7964