Project name: SH3_D99E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.49388 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: -3.1205
• Maximal score value: 1.7964
• Average score: -0.9639
• Total score value: -54.9427

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	-2.6450
95	A	A	-2.6342
96	R	A	-2.9896
97	T	A	-2.6693
98	E	A	-3.1205
99	E	A	-3.0809	mutated: DA99E
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2126
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	-0.5091
111	I	A	-0.0599
112	L	A	0.1399
113	N	A	-0.8922
114	S	A	-1.1834
115	S	A	-1.5969
116	E	A	-2.5608
117	G	A	-2.1354
118	D	A	-2.4501
119	W	A	-1.1161
120	W	A	-1.0675
121	E	A	-1.1693
122	A	A	0.0000
123	R	A	-1.7193
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	-1.7025
131	G	A	-1.5228
132	Y	A	-0.9049
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9260
136	N	A	-1.1512
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964