Project name: SH3_N113D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113D
Energy difference between WT (input) and mutated protein (by FoldX)	0.119937 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: 1.1302
• Average score: -0.9314
• Total score value: -55.8867

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	-0.4514
82	S	A	-0.6830
83	H	A	-0.7912
84	M	A	0.2663
85	T	A	0.0000
86	F	A	-0.1051
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3223
100	L	A	0.0000
101	S	A	-1.9034
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	-2.0718
108	L	A	0.0000
109	Q	A	-0.2508
110	I	A	0.3196
111	V	A	1.1302
112	N	A	-0.6708
113	D	A	-2.3296	mutated: NA113D
114	T	A	-1.9846
115	E	A	-3.1094
116	G	A	-2.7331
117	D	A	-2.7584
118	W	A	-1.4437
119	W	A	-0.8895
120	L	A	0.2828
121	A	A	0.0000
122	H	A	-0.3844
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	-0.4953
130	G	A	0.0000
131	Y	A	0.1648
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3556
135	N	A	-1.2480
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1508
140	S	A	-0.1759