Project name: SH3_W119F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA119F
Energy difference between WT (input) and mutated protein (by FoldX)	0.505695 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: -3.1031
• Maximal score value: 1.7964
• Average score: -0.9531
• Total score value: -54.324

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	0.9231
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1499
91	Y	A	-0.5723
92	D	A	-2.5551
93	Y	A	-1.9217
94	E	A	-2.6404
95	A	A	-2.6237
96	R	A	-2.9841
97	T	A	-2.6608
98	E	A	-3.1031
99	D	A	-3.0440
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2031
103	F	A	0.0000
104	H	A	-2.7257
105	K	A	-2.4042
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0565
112	L	A	0.1438
113	N	A	-0.8754
114	S	A	-1.1652
115	S	A	-1.5966
116	E	A	-2.5614
117	G	A	-2.1521
118	D	A	-2.4084
119	F	A	-0.9876	mutated: WA119F
120	W	A	-0.9989
121	E	A	-1.1269
122	A	A	0.0000
123	R	A	-1.7152
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	-1.6932
131	G	A	-1.4837
132	Y	A	-0.8288
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8898
136	N	A	-1.1327
137	Y	A	-0.1104
138	V	A	0.0000
139	A	A	0.4149
140	P	A	0.7757
141	V	A	1.7964