Project name: SH3_D99M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.70836 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: -3.457
• Maximal score value: 1.2243
• Average score: -0.9013
• Total score value: -54.0801

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	-0.1084
87	V	A	-0.6277
88	A	A	0.0000
89	L	A	-0.3124
90	Y	A	-0.7205
91	D	A	-2.8067
92	Y	A	-1.9445
93	E	A	-2.7549
94	S	A	-1.9887
95	R	A	-2.6677
96	T	A	-1.9817
97	E	A	-2.1838
98	T	A	-0.9551
99	M	A	-0.7699	mutated: DA99M
100	L	A	0.0000
101	S	A	-1.7492
102	F	A	0.0000
103	K	A	-3.4570
104	K	A	-2.8493
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2531
110	I	A	0.4163
111	V	A	1.2243
112	N	A	-0.4684
113	N	A	-1.8545
114	T	A	-1.7516
115	E	A	-2.9643
116	G	A	-2.6341
117	D	A	-2.7369
118	W	A	-1.3955
119	W	A	-0.7205
120	L	A	0.4156
121	A	A	0.0000
122	H	A	-0.4039
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	-1.3517
129	T	A	-0.4096
130	G	A	0.0000
131	Y	A	0.3382
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3402
135	N	A	-1.2781
136	Y	A	-0.2330
137	V	A	0.0000
138	A	A	-0.0288
139	P	A	-0.1505
140	S	A	-0.1759