Project name: SH3_D99Q

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99Q
Energy difference between WT (input) and mutated protein (by FoldX)	0.200826 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: -3.4969
• Maximal score value: 1.2654
• Average score: -0.8934
• Total score value: -53.601

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	-0.4461
82	S	A	-0.6760
83	H	A	-0.7865
84	M	A	0.2752
85	T	A	0.0000
86	F	A	-0.0925
87	V	A	-0.6180
88	A	A	0.0000
89	L	A	-0.3235
90	Y	A	-0.7636
91	D	A	-2.8762
92	Y	A	-2.1350
93	E	A	-2.8910
94	S	A	0.0000
95	R	A	-2.7786
96	T	A	-2.1374
97	E	A	-2.3396
98	T	A	-1.2210
99	Q	A	-1.2920	mutated: DA99Q
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4969
104	K	A	-2.8743
105	G	A	-1.9662
106	E	A	0.0000
107	R	A	-2.0632
108	L	A	0.0000
109	Q	A	-0.2062
110	I	A	0.4618
111	V	A	1.2654
112	N	A	-0.4149
113	N	A	-1.8175
114	T	A	-1.7368
115	E	A	-2.9443
116	G	A	-2.6169
117	D	A	-2.6968
118	W	A	-1.3620
119	W	A	-0.7010
120	L	A	0.4200
121	A	A	0.0000
122	H	A	-0.3625
123	S	A	0.0000
124	L	A	-0.2742
125	T	A	-0.7820
126	T	A	-0.8789
127	G	A	-0.8174
128	Q	A	-1.4089
129	T	A	-0.4796
130	G	A	0.0000
131	Y	A	0.2460
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2890
135	N	A	-1.2504
136	Y	A	-0.2076
137	V	A	0.0000
138	A	A	-0.0192
139	P	A	-0.1460
140	S	A	-0.1759