Project name: SH3_L125M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA125M
Energy difference between WT (input) and mutated protein (by FoldX)	0.202129 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: 1.7928
• Average score: -0.9857
• Total score value: -56.1851

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	0.5345
86	L	A	0.7598
87	F	A	0.8757
88	V	A	0.3644
89	A	A	0.0000
90	L	A	-0.1574
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	-2.7355
105	K	A	-2.4142
106	G	A	-1.4735
107	E	A	-1.4322
108	K	A	-0.8292
109	F	A	0.0000
110	Q	A	-0.5565
111	I	A	-0.0239
112	L	A	0.1680
113	N	A	-0.8816
114	S	A	-1.1781
115	S	A	-1.5958
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0447
121	E	A	-1.1344
122	A	A	0.0000
123	R	A	-1.7662
124	S	A	0.0000
125	M	A	-0.3944	mutated: LA125M
126	T	A	-0.7060
127	T	A	-0.9501
128	G	A	-1.4746
129	E	A	-2.2946
130	T	A	-1.7120
131	G	A	-1.4849
132	Y	A	-0.8585
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9203
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4119
140	P	A	0.7776
141	V	A	1.7928