Project name: SH3_S114L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114L
Energy difference between WT (input) and mutated protein (by FoldX)	-1.73064 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: 1.7882
• Average score: -0.8476
• Total score value: -48.3153

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	0.4977
86	L	A	0.7636
87	F	A	0.8842
88	V	A	0.4196
89	A	A	0.0000
90	L	A	-0.1540
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	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4610
107	E	A	-1.3115
108	K	A	-0.6589
109	F	A	0.0000
110	Q	A	-0.5567
111	I	A	0.2080
112	L	A	0.4652
113	N	A	-0.1338
114	L	A	0.4136	mutated: SA114L
115	S	A	-0.8082
116	E	A	-2.0733
117	G	A	-1.7201
118	D	A	-2.0875
119	W	A	-0.7690
120	W	A	-0.4639
121	E	A	-0.8104
122	A	A	0.0000
123	R	A	-1.7373
124	S	A	0.0000
125	L	A	0.0567
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7022
131	G	A	-1.5106
132	Y	A	-0.7106
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.6759
136	N	A	-1.1525
137	Y	A	-0.1271
138	V	A	0.0000
139	A	A	0.4076
140	P	A	0.7653
141	V	A	1.7882