Project name: SH3_N112H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA112H
Energy difference between WT (input) and mutated protein (by FoldX)	0.738776 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: 0.2676
• Average score: -0.9847
• Total score value: -59.0825

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	-0.5465
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.1034
87	V	A	-0.6218
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	-2.1659
97	E	A	-2.3646
98	T	A	-1.2749
99	D	A	-1.3791
100	L	A	0.0000
101	S	A	-1.9183
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	-2.0707
108	L	A	0.0000
109	Q	A	-0.5166
110	I	A	-0.0862
111	V	A	0.2329
112	H	A	-1.2617	mutated: NA112H
113	N	A	-2.2292
114	T	A	-1.9589
115	E	A	-3.0225
116	G	A	-2.6591
117	D	A	-2.7097
118	W	A	-1.4666
119	W	A	-1.0536
120	L	A	-0.1108
121	A	A	0.0000
122	H	A	-0.6365
123	S	A	0.0000
124	L	A	-0.2789
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.6216
130	G	A	0.0000
131	Y	A	-0.0655
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3139
135	N	A	-1.2524
136	Y	A	-0.2068
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759