Project name: SH3_N136W

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136W
Energy difference between WT (input) and mutated protein (by FoldX)	-0.921216 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: -3.1027
• Maximal score value: 1.7964
• Average score: -0.8506
• Total score value: -48.4826

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	0.9191
88	V	A	0.4244
89	A	A	0.0000
90	L	A	0.1844
91	Y	A	-0.3366
92	D	A	-2.5636
93	Y	A	-1.9329
94	E	A	-2.6422
95	A	A	-2.6242
96	R	A	-2.9845
97	T	A	-2.6608
98	E	A	-3.1027
99	D	A	-3.0431
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2038
103	F	A	0.0000
104	H	A	-2.7266
105	K	A	-2.4108
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5088
111	I	A	-0.0557
112	L	A	0.1436
113	N	A	-0.9086
114	S	A	-1.2100
115	S	A	-1.6155
116	E	A	-2.5889
117	G	A	-2.1777
118	D	A	-2.0689
119	W	A	-0.8871
120	W	A	-0.8632
121	E	A	-1.1865
122	A	A	0.0000
123	R	A	-1.7151
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6925
131	G	A	-1.5163
132	Y	A	-0.9108
133	I	A	0.0000
134	P	A	0.0000
135	S	A	0.2050
136	W	A	1.2671	mutated: NA136W
137	Y	A	1.0083
138	V	A	0.0000
139	A	A	0.8606
140	P	A	0.7757
141	V	A	1.7964