Project name: SH3_H122D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA122D
Energy difference between WT (input) and mutated protein (by FoldX)	1.71337 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: 1.1234
• Average score: -0.9229
• Total score value: -55.3759

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	-0.4696
82	S	A	-0.7075
83	H	A	-0.8091
84	M	A	0.2348
85	T	A	0.0000
86	F	A	-0.1454
87	V	A	-0.6434
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	-1.2403
99	D	A	-1.3217
100	L	A	0.0000
101	S	A	-1.9025
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	-2.1099
108	L	A	0.0000
109	Q	A	-0.5015
110	I	A	0.2704
111	V	A	1.1234
112	N	A	-0.4783
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.7355
120	L	A	0.3070
121	A	A	0.0000
122	D	A	-0.7623	mutated: HA122D
123	S	A	0.0000
124	L	A	-0.2636
125	T	A	-0.7629
126	T	A	-0.8983
127	G	A	-0.8787
128	Q	A	-1.4966
129	T	A	-0.6465
130	G	A	0.0000
131	Y	A	0.1701
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1674
140	S	A	-0.1759