Project name: SH3_H122R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122R
Energy difference between WT (input) and mutated protein (by FoldX)	-1.06992 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: 0.9952
• Average score: -0.9719
• Total score value: -58.3161

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	-0.4580
82	S	A	-0.6919
83	H	A	-0.7979
84	M	A	0.2548
85	T	A	0.0000
86	F	A	-0.1197
87	V	A	-0.6302
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.2365
99	D	A	-1.3183
100	L	A	0.0000
101	S	A	-1.8987
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	-2.2505
108	L	A	0.0000
109	Q	A	-0.6881
110	I	A	0.1482
111	V	A	0.9952
112	N	A	-0.5274
113	N	A	-1.8056
114	T	A	-1.7271
115	E	A	-2.9327
116	G	A	-2.6068
117	D	A	-2.6853
118	W	A	-1.3413
119	W	A	-0.8071
120	L	A	0.1803
121	A	A	0.0000
122	R	A	-1.4843	mutated: HA122R
123	S	A	0.0000
124	L	A	-0.6162
125	T	A	-0.9541
126	T	A	-1.0554
127	G	A	-1.1007
128	Q	A	-1.7174
129	T	A	-0.9326
130	G	A	0.0000
131	Y	A	0.0702
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2861
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1568
140	S	A	-0.1759