Project name: SH3_N136E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.438467 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: 1.7964
• Average score: -0.9879
• Total score value: -56.3119

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	0.9221
88	V	A	0.4291
89	A	A	0.0000
90	L	A	-0.2332
91	Y	A	-0.6335
92	D	A	-2.5620
93	Y	A	-1.9339
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	-2.4078
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
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	-2.5440
119	W	A	-1.1865
120	W	A	-1.1145
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	-1.1886
136	E	A	-1.7043	mutated: NA136E
137	Y	A	-0.4035
138	V	A	0.0000
139	A	A	0.3119
140	P	A	0.7757
141	V	A	1.7964