Project name: SH3_D99L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99L
Energy difference between WT (input) and mutated protein (by FoldX)	-1.59917 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: -3.4711
• Maximal score value: 1.2483
• Average score: -0.857
• Total score value: -51.4219

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1080
87	V	A	-0.6273
88	A	A	0.0000
89	L	A	-0.3178
90	Y	A	-0.7335
91	D	A	-2.8334
92	Y	A	-1.9865
93	E	A	-2.7608
94	S	A	0.0000
95	R	A	-2.6536
96	T	A	-1.9533
97	E	A	-2.1662
98	T	A	-0.9264
99	L	A	-0.6698	mutated: DA99L
100	L	A	0.0000
101	S	A	-1.7333
102	F	A	0.0000
103	K	A	-3.4711
104	K	A	-2.8580
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4357
111	V	A	1.2483
112	N	A	-0.4297
113	N	A	-1.8276
114	T	A	-1.7411
115	E	A	-2.9526
116	G	A	-2.6252
117	D	A	-2.7148
118	W	A	-1.3302
119	W	A	-0.6566
120	L	A	0.4890
121	A	A	0.0000
122	H	A	-0.3859
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3443
129	T	A	-0.3813
130	G	A	0.0000
131	Y	A	0.4702
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3174
135	N	A	-1.2732
136	Y	A	-0.2361
137	V	A	0.0000
138	A	A	-0.0282
139	P	A	-0.1505
140	S	A	-0.1759