Project name: SH3_T97F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA97F
Energy difference between WT (input) and mutated protein (by FoldX)	0.628226 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: -2.7289
• Maximal score value: 1.7964
• Average score: -0.8606
• Total score value: -49.054

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	0.9234
88	V	A	0.4306
89	A	A	0.0000
90	L	A	-0.1515
91	Y	A	-0.5751
92	D	A	-2.5602
93	Y	A	-1.9304
94	E	A	-2.4038
95	A	A	-2.0365
96	R	A	-2.0034
97	F	A	-0.6443	mutated: TA97F
98	E	A	-2.1169
99	D	A	-2.3859
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9708
103	F	A	0.0000
104	H	A	-2.7289
105	K	A	-2.4066
106	G	A	-1.4592
107	E	A	-1.3102
108	K	A	-0.6438
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0571
112	L	A	0.1427
113	N	A	-0.8893
114	S	A	-1.1812
115	S	A	-1.5972
116	E	A	-2.5613
117	G	A	-2.1362
118	D	A	-2.4483
119	W	A	-1.1109
120	W	A	-1.0602
121	E	A	-1.1557
122	A	A	0.0000
123	R	A	-1.7158
124	S	A	0.0000
125	L	A	0.0587
126	T	A	-0.4736
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6932
131	G	A	-1.5012
132	Y	A	-0.8719
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9233
136	N	A	-1.1515
137	Y	A	-0.1251
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964