Project name: SH3_R123C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123C
Energy difference between WT (input) and mutated protein (by FoldX)	0.738882 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: -0.8803
• Total score value: -50.1756

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	0.4565
86	L	A	0.8139
87	F	A	0.8496
88	V	A	0.3907
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	-1.3110
108	K	A	-0.5226
109	F	A	0.0000
110	Q	A	-0.3401
111	I	A	0.2267
112	L	A	0.5850
113	N	A	-0.8071
114	S	A	-1.1307
115	S	A	-1.5705
116	E	A	-2.5699
117	G	A	-2.1414
118	D	A	-2.4523
119	W	A	-1.1192
120	W	A	-0.9268
121	E	A	-0.9150
122	A	A	0.0000
123	C	A	-0.5425	mutated: RA123C
124	S	A	0.0000
125	L	A	0.2799
126	T	A	-0.3207
127	T	A	-0.6657
128	G	A	-1.0938
129	E	A	-1.8883
130	T	A	-1.1951
131	G	A	-1.2256
132	Y	A	-0.6974
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	0.7448
141	V	A	1.7950