Project name: SH3_E116D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116D
Energy difference between WT (input) and mutated protein (by FoldX)	0.431079 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: -3.0781
• Maximal score value: 1.7964
• Average score: -0.9497
• Total score value: -54.1353

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	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.5994
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0781
99	D	A	-2.9859
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1797
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5246
111	I	A	-0.0749
112	L	A	0.0931
113	N	A	-1.0038
114	S	A	-1.2133
115	S	A	-1.6217
116	D	A	-2.5559	mutated: EA116D
117	G	A	-2.1256
118	D	A	-2.4092
119	W	A	-1.0138
120	W	A	-1.0019
121	E	A	-1.0905
122	A	A	0.0000
123	R	A	-1.6829
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2403
130	T	A	-1.6456
131	G	A	-1.3865
132	Y	A	-0.6636
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8770
136	N	A	-1.1446
137	Y	A	-0.1202
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964