Project name: SH3_L86M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA86M
Energy difference between WT (input) and mutated protein (by FoldX)	0.228317 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: 1.7532
• Average score: -1.0012
• Total score value: -57.0662

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	0.3152
86	M	A	0.3997	mutated: LA86M
87	F	A	0.6943
88	V	A	0.3215
89	A	A	0.0000
90	L	A	-0.1043
91	Y	A	-0.5354
92	D	A	-2.5201
93	Y	A	-1.9321
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	-3.0436
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2061
103	F	A	0.0000
104	H	A	-2.6619
105	K	A	-2.2856
106	G	A	-1.2067
107	E	A	-1.2235
108	K	A	-0.7789
109	F	A	0.0000
110	Q	A	-1.1163
111	I	A	-0.3028
112	L	A	0.0897
113	N	A	-0.9142
114	S	A	-1.1623
115	S	A	-1.5884
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0896
121	E	A	-1.1924
122	A	A	0.0000
123	R	A	-1.8955
124	S	A	0.0000
125	L	A	-0.2531
126	T	A	-0.5265
127	T	A	-0.8674
128	G	A	-1.4665
129	E	A	-2.2602
130	T	A	-1.7512
131	G	A	-1.4823
132	Y	A	-0.8535
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9195
136	N	A	-1.1511
137	Y	A	-0.1379
138	V	A	0.0000
139	A	A	0.3947
140	P	A	0.6554
141	V	A	1.7532