Project name: SH3_F87F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	FA87F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0595245 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: -3.1028
• Maximal score value: 1.7957
• Average score: -0.9599
• Total score value: -54.7159

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	0.5171
86	L	A	0.7925
87	F	A	0.9219	mutated: FA87F
88	V	A	0.4302
89	A	A	0.0000
90	L	A	-0.1514
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4584
107	E	A	-1.3082
108	K	A	-0.6431
109	F	A	0.0000
110	Q	A	-0.5087
111	I	A	-0.0553
112	L	A	0.1439
113	N	A	-0.8873
114	S	A	-1.1789
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0552
121	E	A	-1.1525
122	A	A	0.0000
123	R	A	-1.7150
124	S	A	0.0000
125	L	A	0.0589
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	-1.4990
132	Y	A	-0.8671
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4152
140	P	A	0.7747
141	V	A	1.7957