Project name: SH3_Q109H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109H
Energy difference between WT (input) and mutated protein (by FoldX)	0.918974 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: 1.3255
• Average score: -0.8789
• Total score value: -52.7339

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	-0.4288
82	S	A	-0.6521
83	H	A	-0.7953
84	M	A	0.2441
85	T	A	0.0000
86	F	A	-0.0285
87	V	A	-0.5697
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	-1.2410
99	D	A	-1.3224
100	L	A	0.0000
101	S	A	-1.9031
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	-1.9895
108	L	A	0.0000
109	H	A	0.0942	mutated: QA109H
110	I	A	0.5722
111	V	A	1.3255
112	N	A	-0.3890
113	N	A	-1.8188
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	-0.7133
120	L	A	0.4338
121	A	A	0.0000
122	H	A	-0.3360
123	S	A	0.0000
124	L	A	-0.1738
125	T	A	-0.7697
126	T	A	-0.8737
127	G	A	-0.8138
128	Q	A	-1.4257
129	T	A	-0.4829
130	G	A	0.0000
131	Y	A	0.2033
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2879
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1306
140	S	A	-0.1966