Project name: SH3_D99M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.23595 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: -2.7289
• Maximal score value: 1.7964
• Average score: -0.827
• Total score value: -47.1397

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	0.9234
88	V	A	0.4306
89	A	A	0.0000
90	L	A	-0.1515
91	Y	A	-0.5751
92	D	A	-2.5602
93	Y	A	-1.9315
94	E	A	-2.6447
95	A	A	-2.1917
96	R	A	-2.5453
97	T	A	-1.8078
98	E	A	-1.8322
99	M	A	-0.4494	mutated: DA99M
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9335
103	F	A	0.0000
104	H	A	-2.7289
105	K	A	-2.4066
106	G	A	-1.4592
107	E	A	-1.3102
108	K	A	-0.6438
109	F	A	0.0000
110	Q	A	-0.5094
111	I	A	-0.0610
112	L	A	0.1383
113	N	A	-0.9043
114	S	A	-1.1987
115	S	A	-1.6060
116	E	A	-2.5739
117	G	A	-2.1548
118	D	A	-2.4825
119	W	A	-1.1824
120	W	A	-1.1019
121	E	A	-0.8802
122	A	A	0.0000
123	R	A	-1.7199
124	S	A	0.0000
125	L	A	0.0587
126	T	A	-0.4736
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.3566
131	G	A	-0.7372
132	Y	A	-0.2167
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9475
136	N	A	-1.1609
137	Y	A	-0.1318
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964