Project name: SH3_R123V

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123V
Energy difference between WT (input) and mutated protein (by FoldX)	0.171611 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: -3.1026
• Maximal score value: 1.795
• Average score: -0.8522
• Total score value: -48.5754

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	0.4420
86	L	A	0.7998
87	F	A	0.8309
88	V	A	0.3794
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	-2.6253
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1026
99	D	A	-3.0428
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2055
103	F	A	0.0000
104	H	A	-2.7285
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3134
108	K	A	-0.5222
109	F	A	0.0000
110	Q	A	-0.2946
111	I	A	0.3967
112	L	A	0.9184
113	N	A	-0.6391
114	S	A	-1.0426
115	S	A	-1.5255
116	E	A	-2.5575
117	G	A	-2.1321
118	D	A	-2.4422
119	W	A	-1.0978
120	W	A	-0.8151
121	E	A	-0.7067
122	A	A	0.0000
123	V	A	-0.3737	mutated: RA123V
124	S	A	0.0000
125	L	A	0.2672
126	T	A	-0.3251
127	T	A	-0.6776
128	G	A	-1.1259
129	E	A	-1.8719
130	T	A	-1.0892
131	G	A	-1.1299
132	Y	A	-0.6050
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9167
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4150
140	P	A	0.7369
141	V	A	1.7950