Project name: SH3_R96L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96L
Energy difference between WT (input) and mutated protein (by FoldX)	0.844814 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: -2.7292
• Maximal score value: 1.7964
• Average score: -0.8172
• Total score value: -46.5825

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	-0.1516
91	Y	A	-0.5753
92	D	A	-2.5607
93	Y	A	-1.5638
94	E	A	-1.8557
95	A	A	-1.0083
96	L	A	0.3632	mutated: RA96L
97	T	A	-1.0731
98	E	A	-2.4550
99	D	A	-2.5622
100	D	A	-1.4195
101	L	A	0.0000
102	S	A	-1.7243
103	F	A	0.0000
104	H	A	-2.7292
105	K	A	-2.4068
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	-0.0568
112	L	A	0.1429
113	N	A	-0.8715
114	S	A	-1.1550
115	S	A	-1.5814
116	E	A	-2.5376
117	G	A	-2.1002
118	D	A	-2.3882
119	W	A	-1.0140
120	W	A	-1.0197
121	E	A	-1.1523
122	A	A	0.0000
123	R	A	-1.7155
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	-2.2402
130	T	A	-1.7191
131	G	A	-1.5491
132	Y	A	-0.9108
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8834
136	N	A	-1.1332
137	Y	A	-0.1122
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964