Project name: SH3_D99W

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99W
Energy difference between WT (input) and mutated protein (by FoldX)	-1.2083 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: -3.483
• Maximal score value: 1.2471
• Average score: -0.8574
• Total score value: -51.4462

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	-0.1087
87	V	A	-0.6281
88	A	A	0.0000
89	L	A	-0.3250
90	Y	A	-0.7467
91	D	A	-2.8572
92	Y	A	-2.0184
93	E	A	-2.7617
94	S	A	0.0000
95	R	A	-2.6265
96	T	A	-1.9008
97	E	A	-2.1218
98	T	A	-0.8568
99	W	A	-0.5437	mutated: DA99W
100	L	A	0.0000
101	S	A	-1.7146
102	F	A	0.0000
103	K	A	-3.4830
104	K	A	-2.8665
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	0.4345
111	V	A	1.2471
112	N	A	-0.4431
113	N	A	-1.8470
114	T	A	-1.7538
115	E	A	-2.9777
116	G	A	-2.6508
117	D	A	-2.7602
118	W	A	-1.4076
119	W	A	-0.6884
120	L	A	0.4866
121	A	A	0.0000
122	H	A	-0.3873
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	-1.3296
129	T	A	-0.3580
130	G	A	0.0000
131	Y	A	0.4968
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3496
135	N	A	-1.2887
136	Y	A	-0.2586
137	V	A	0.0000
138	A	A	-0.0294
139	P	A	-0.1505
140	S	A	-0.1759