Project name: SH3_L112I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA112I
Energy difference between WT (input) and mutated protein (by FoldX)	0.46918 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: -3.1029
• Maximal score value: 1.7964
• Average score: -0.9242
• Total score value: -52.6794

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	0.5005
86	L	A	0.7580
87	F	A	0.9037
88	V	A	0.4199
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5597
93	Y	A	-1.9312
94	E	A	-2.6448
95	A	A	-2.6256
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1029
99	D	A	-3.0419
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2043
103	F	A	0.0000
104	H	A	-2.7280
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6679
109	F	A	0.0000
110	Q	A	-0.4479
111	I	A	0.2133
112	I	A	0.7584	mutated: LA112I
113	N	A	-0.5582
114	S	A	-1.0198
115	S	A	-1.5120
116	E	A	-2.5513
117	G	A	-2.1285
118	D	A	-2.4395
119	W	A	-1.0946
120	W	A	-0.9246
121	E	A	-0.9405
122	A	A	0.0000
123	R	A	-1.6554
124	S	A	0.0000
125	L	A	0.0365
126	T	A	-0.4720
127	T	A	-0.8141
128	G	A	-1.3544
129	E	A	-2.2367
130	T	A	-1.6317
131	G	A	-1.4313
132	Y	A	-0.7944
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9173
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7667
141	V	A	1.7964