Project name: SH3_S114N

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114N
Energy difference between WT (input) and mutated protein (by FoldX)	-0.655333 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: 1.7952
• Average score: -1.0527
• Total score value: -60.0038

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	0.5023
86	L	A	0.7732
87	F	A	0.9041
88	V	A	0.4296
89	A	A	0.0000
90	L	A	-0.1516
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	-1.4585
107	E	A	-1.3084
108	K	A	-0.6527
109	F	A	0.0000
110	Q	A	-0.5516
111	I	A	-0.3906
112	L	A	-0.1547
113	N	A	-1.4612
114	N	A	-2.3333	mutated: SA114N
115	S	A	-2.1515
116	E	A	-2.9046
117	G	A	-2.4281
118	D	A	-2.7002
119	W	A	-1.3470
120	W	A	-1.5225
121	E	A	-1.4401
122	A	A	0.0000
123	R	A	-1.7365
124	S	A	0.0000
125	L	A	0.0588
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.7023
131	G	A	-1.5088
132	Y	A	-0.9995
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.1155
136	N	A	-1.1513
137	Y	A	-0.1247
138	V	A	0.0000
139	A	A	0.4146
140	P	A	0.7741
141	V	A	1.7952