Project name: SH3_D99A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.267403 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: -0.8543
• Total score value: -48.6951

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	-2.3044
96	R	A	-2.6752
97	T	A	-2.0599
98	E	A	-2.1908
99	A	A	-1.1771	mutated: DA99A
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9986
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	-0.5094
111	I	A	-0.0475
112	L	A	0.1518
113	N	A	-0.8797
114	S	A	-1.1724
115	S	A	-1.5979
116	E	A	-2.5619
117	G	A	-2.1365
118	D	A	-2.4378
119	W	A	-1.0830
120	W	A	-1.0294
121	E	A	-0.9026
122	A	A	0.0000
123	R	A	-1.7029
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	-1.4311
131	G	A	-0.8982
132	Y	A	-0.2802
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9104
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