Project name: SH3_D99W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.30686 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.7939
• Total score value: -45.2513

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6430
95	A	A	-2.1117
96	R	A	-2.4749
97	T	A	-1.6703
98	E	A	-1.6294
99	W	A	-0.0435	mutated: DA99W
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.8794
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5065
111	I	A	-0.0446
112	L	A	0.1611
113	N	A	-0.8771
114	S	A	-1.1737
115	S	A	-1.5970
116	E	A	-2.5631
117	G	A	-2.1386
118	D	A	-2.4446
119	W	A	-1.0989
120	W	A	-1.0403
121	E	A	-0.7811
122	A	A	0.0000
123	R	A	-1.7047
124	S	A	0.0000
125	L	A	0.0591
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3571
129	E	A	-2.2399
130	T	A	-1.2859
131	G	A	-0.5683
132	Y	A	-0.0022
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9170
136	N	A	-1.1527
137	Y	A	-0.1259
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964