Project name: SH3_L90E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA90E
Energy difference between WT (input) and mutated protein (by FoldX)	0.446076 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: 1.8084
• Average score: -1.0572
• Total score value: -60.2619

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	0.5214
86	L	A	0.8032
87	F	A	0.7829
88	V	A	0.1145
89	A	A	0.0000
90	E	A	-1.5627	mutated: LA90E
91	Y	A	-1.3606
92	D	A	-2.9042
93	Y	A	-2.1323
94	E	A	-2.6589
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	-2.9645
105	K	A	-2.9231
106	G	A	-1.8131
107	E	A	-1.5129
108	K	A	-0.7637
109	F	A	0.0000
110	Q	A	-0.5033
111	I	A	-0.0564
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	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7149
124	S	A	0.0000
125	L	A	0.0647
126	T	A	-0.4721
127	T	A	-0.8203
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	-0.9203
136	N	A	-1.3562
137	Y	A	-0.5815
138	V	A	0.0000
139	A	A	0.1280
140	P	A	0.7869
141	V	A	1.8084