Project name: SH3_D99F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99F
Energy difference between WT (input) and mutated protein (by FoldX)	-1.92236 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: -3.4645
• Maximal score value: 1.2447
• Average score: -0.8788
• Total score value: -52.7304

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	-0.1069
87	V	A	-0.6232
88	A	A	0.0000
89	L	A	-0.3024
90	Y	A	-0.7109
91	D	A	-2.8201
92	Y	A	-1.9530
93	E	A	-2.7316
94	S	A	-1.8964
95	R	A	-2.6117
96	T	A	-1.8776
97	E	A	-2.0996
98	T	A	-0.8192
99	F	A	-0.4559	mutated: DA99F
100	L	A	0.0000
101	S	A	-1.6853
102	F	A	0.0000
103	K	A	-3.4645
104	K	A	-2.8473
105	G	A	-1.9578
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4321
111	V	A	1.2447
112	N	A	-0.4432
113	N	A	-1.8452
114	T	A	-1.7508
115	E	A	-2.9719
116	G	A	-2.6451
117	D	A	-2.7529
118	W	A	-1.3812
119	W	A	-0.6752
120	L	A	0.4968
121	A	A	0.0000
122	H	A	-0.3905
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	-1.3198
129	T	A	-0.3458
130	G	A	0.0000
131	Y	A	0.5168
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3423
135	N	A	-1.2775
136	Y	A	-0.2303
137	V	A	0.0000
138	A	A	-0.0261
139	P	A	-0.1505
140	S	A	-0.1759