Project name: SH3_Q128N

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA128N
Energy difference between WT (input) and mutated protein (by FoldX)	0.451585 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: -3.4823
• Maximal score value: 1.2522
• Average score: -0.8997
• Total score value: -53.985

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	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8488
92	Y	A	-2.0976
93	E	A	-2.8715
94	S	A	0.0000
95	R	A	-2.7793
96	T	A	-2.1498
97	E	A	-2.3511
98	T	A	-1.2334
99	D	A	-1.3166
100	L	A	0.0000
101	S	A	-1.8915
102	F	A	0.0000
103	K	A	-3.4823
104	K	A	-2.8616
105	G	A	-1.9623
106	E	A	0.0000
107	R	A	-2.0756
108	L	A	0.0000
109	Q	A	-0.2469
110	I	A	0.4392
111	V	A	1.2522
112	N	A	-0.4200
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	-1.3418
119	W	A	-0.6972
120	L	A	0.4092
121	A	A	0.0000
122	H	A	-0.4086
123	S	A	0.0000
124	L	A	-0.3109
125	T	A	-0.8160
126	T	A	-0.9418
127	G	A	-0.8958
128	N	A	-1.4983	mutated: QA128N
129	T	A	-0.5199
130	G	A	0.0000
131	Y	A	0.2288
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	-0.1505
140	S	A	-0.1759