Project name: SH3_D117H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117H
Energy difference between WT (input) and mutated protein (by FoldX)	0.228169 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: -3.5179
• Maximal score value: 1.252
• Average score: -0.8574
• Total score value: -51.4428

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	-0.1035
87	V	A	-0.6375
88	A	A	0.0000
89	L	A	-0.3752
90	Y	A	-0.8690
91	D	A	-2.9174
92	Y	A	-2.1373
93	E	A	-2.8812
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1532
97	E	A	-2.3518
98	T	A	-1.2397
99	D	A	-1.3195
100	L	A	0.0000
101	S	A	-1.9027
102	F	A	0.0000
103	K	A	-3.5179
104	K	A	-2.9171
105	G	A	-1.9866
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4387
111	V	A	1.2520
112	N	A	-0.4159
113	N	A	-1.6956
114	T	A	-1.6357
115	E	A	-2.7055
116	G	A	-2.2168
117	H	A	-1.8838	mutated: DA117H
118	W	A	-0.9493
119	W	A	-0.5114
120	L	A	0.4092
121	A	A	0.0000
122	H	A	-0.3830
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4117
129	T	A	-0.4938
130	G	A	0.0000
131	Y	A	0.3091
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.0299
135	N	A	-1.1153
136	Y	A	-0.2325
137	V	A	0.0000
138	A	A	-0.0195
139	P	A	-0.1505
140	S	A	-0.1759