Project name: SH3_N112D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA112D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.674569 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: -3.4838
• Maximal score value: 1.14
• Average score: -0.9132
• Total score value: -54.7898

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1584
97	E	A	-2.3570
98	T	A	-1.2467
99	D	A	-1.3370
100	L	A	0.0000
101	S	A	-1.9089
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2726
110	I	A	0.3747
111	V	A	1.1400
112	D	A	-0.6572	mutated: NA112D
113	N	A	-1.9329
114	T	A	-1.8035
115	E	A	-2.9810
116	G	A	-2.6408
117	D	A	-2.7024
118	W	A	-1.4049
119	W	A	-0.7800
120	L	A	0.3298
121	A	A	0.0000
122	H	A	-0.4076
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.1565
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2951
135	N	A	-1.2524
136	Y	A	-0.2068
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759