Project name: SH3_H122N

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122N
Energy difference between WT (input) and mutated protein (by FoldX)	0.395374 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: 1.2599
• Average score: -0.8925
• Total score value: -53.549

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	-0.4453
82	S	A	-0.6750
83	H	A	-0.7858
84	M	A	0.2766
85	T	A	0.0000
86	F	A	-0.0919
87	V	A	-0.6159
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	-1.2416
99	D	A	-1.3232
100	L	A	0.0000
101	S	A	-1.9033
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	-2.0506
108	L	A	0.0000
109	Q	A	-0.1960
110	I	A	0.4579
111	V	A	1.2599
112	N	A	-0.4164
113	N	A	-1.8149
114	T	A	-1.7332
115	E	A	-2.9366
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3431
119	W	A	-0.7003
120	L	A	0.4065
121	A	A	0.0000
122	N	A	-0.3748	mutated: HA122N
123	S	A	0.0000
124	L	A	-0.2443
125	T	A	-0.7719
126	T	A	-0.8839
127	G	A	-0.8390
128	Q	A	-1.4234
129	T	A	-0.4961
130	G	A	0.0000
131	Y	A	0.2171
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2860
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1453
140	S	A	-0.1759