Project name: SH3_D99F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.478815 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.7656
• Total score value: -43.6364

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	-2.0091
96	R	A	-2.3573
97	T	A	-1.4435
98	E	A	-1.2875
99	F	A	0.6657	mutated: DA99F
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.8201
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	-0.5121
111	I	A	-0.0712
112	L	A	0.1230
113	N	A	-0.9032
114	S	A	-1.1913
115	S	A	-1.5982
116	E	A	-2.5611
117	G	A	-2.1361
118	D	A	-2.4571
119	W	A	-1.1339
120	W	A	-1.0885
121	E	A	-0.7580
122	A	A	0.0000
123	R	A	-1.7291
124	S	A	0.0000
125	L	A	0.0591
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2402
130	T	A	-1.2197
131	G	A	-0.4137
132	Y	A	0.0598
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9340
136	N	A	-1.1515
137	Y	A	-0.1251
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964