Project name: SH3_E121N

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121N
Energy difference between WT (input) and mutated protein (by FoldX)	-0.622972 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: -3.0904
• Maximal score value: 1.7964
• Average score: -0.9028
• Total score value: -51.4583

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	0.9238
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	-2.6162
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0904
99	D	A	-2.9865
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1948
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	-0.6426
109	F	A	0.0000
110	Q	A	-0.4518
111	I	A	0.0628
112	L	A	0.3217
113	N	A	-0.7752
114	S	A	-1.1090
115	S	A	-1.5644
116	E	A	-2.5306
117	G	A	-2.1103
118	D	A	-2.4132
119	W	A	-1.0263
120	W	A	-0.8890
121	N	A	-0.8208	mutated: EA121N
122	A	A	0.0000
123	R	A	-1.6223
124	S	A	0.0000
125	L	A	0.0591
126	T	A	-0.4730
127	T	A	-0.8208
128	G	A	-1.3522
129	E	A	-2.2289
130	T	A	-1.5862
131	G	A	0.0000
132	Y	A	-0.6867
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8810
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964