Project name: SH3_Y91N

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA91N
Energy difference between WT (input) and mutated protein (by FoldX)	0.703058 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: -3.7381
• Maximal score value: 1.7964
• Average score: -1.1049
• Total score value: -62.9767

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	0.5173
86	L	A	0.7932
87	F	A	0.9737
88	V	A	0.2110
89	A	A	0.0000
90	L	A	-1.0185
91	N	A	-2.9734	mutated: YA91N
92	D	A	-3.7381
93	Y	A	-2.5382
94	E	A	-2.9058
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	-3.3223
105	K	A	-3.4079
106	G	A	-1.8662
107	E	A	-1.5820
108	K	A	-0.6047
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.0966
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
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	-1.6927
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9021
136	N	A	-1.3319
137	Y	A	-0.6010
138	V	A	0.0000
139	A	A	0.5088
140	P	A	0.7756
141	V	A	1.7964