Project name: SH3_E107I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA107I
Energy difference between WT (input) and mutated protein (by FoldX)	0.49602 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: -3.1044
• Maximal score value: 1.799
• Average score: -0.9268
• Total score value: -52.8257

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	0.5161
86	L	A	0.7936
87	F	A	0.9985
88	V	A	0.5838
89	A	A	0.0000
90	L	A	-0.0795
91	Y	A	-0.5156
92	D	A	-2.4987
93	Y	A	-1.9357
94	E	A	-2.6506
95	A	A	-2.6311
96	R	A	-2.9872
97	T	A	-2.6624
98	E	A	-3.1044
99	D	A	-3.0448
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2177
103	F	A	0.0000
104	H	A	-2.5856
105	K	A	-2.2575
106	G	A	-1.2270
107	I	A	-0.8347	mutated: EA107I
108	K	A	-0.4023
109	F	A	0.0000
110	Q	A	-0.5093
111	I	A	-0.0552
112	L	A	0.1430
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1529
122	A	A	0.0000
123	R	A	-1.7140
124	S	A	0.0000
125	L	A	0.1467
126	T	A	-0.3614
127	T	A	-0.7669
128	G	A	-1.3578
129	E	A	-2.2348
130	T	A	-1.6911
131	G	A	-1.4988
132	Y	A	-0.8690
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4178
140	P	A	0.7774
141	V	A	1.7990