Project name: SH3_R96M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA96M
Energy difference between WT (input) and mutated protein (by FoldX)	0.804735 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: -2.728
• Maximal score value: 1.7964
• Average score: -0.8137
• Total score value: -46.381

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	-0.1512
91	Y	A	-0.5744
92	D	A	-2.5587
93	Y	A	-1.5966
94	E	A	-1.9459
95	A	A	-1.1901
96	M	A	-0.0870	mutated: RA96M
97	T	A	-1.2605
98	E	A	-2.5031
99	D	A	-2.5555
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.7564
103	F	A	0.0000
104	H	A	-2.7280
105	K	A	-2.4062
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	-0.8868
114	S	A	-1.1778
115	S	A	-1.5953
116	E	A	-2.5584
117	G	A	-2.1317
118	D	A	-2.4407
119	W	A	-1.0952
120	W	A	-1.0519
121	E	A	-1.1512
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	-2.2400
130	T	A	-1.6926
131	G	A	-1.4981
132	Y	A	-0.8649
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9181
136	N	A	-1.1493
137	Y	A	-0.1231
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964