Project name: SH3_N113L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113L
Energy difference between WT (input) and mutated protein (by FoldX)	0.556907 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: -3.1037
• Maximal score value: 1.7964
• Average score: -0.8857
• Total score value: -50.4837

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	0.5177
86	L	A	0.7936
87	F	A	0.9242
88	V	A	0.4313
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	-2.6268
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1037
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2068
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6424
109	F	A	0.0000
110	Q	A	-0.3945
111	I	A	0.2330
112	L	A	0.6291
113	L	A	0.1285	mutated: NA113L
114	S	A	-0.6731
115	S	A	-1.2860
116	E	A	-2.3155
117	G	A	-1.9897
118	D	A	-2.3308
119	W	A	-0.9507
120	W	A	-0.7206
121	E	A	-0.7712
122	A	A	0.0000
123	R	A	-1.7158
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6924
131	G	A	-1.4985
132	Y	A	-0.7372
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9155
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964