Project name: SH3_V111H

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111H
Energy difference between WT (input) and mutated protein (by FoldX)	0.523447 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: 0.2602
• Average score: -1.0667
• Total score value: -64.0013

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	-0.7930
82	S	A	-0.6877
83	H	A	-0.7949
84	M	A	0.2602
85	T	A	0.0000
86	F	A	-0.1128
87	V	A	-0.6267
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2413
99	D	A	-1.3240
100	L	A	0.0000
101	S	A	-1.9034
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	-2.0740
108	L	A	0.0000
109	Q	A	-1.0295
110	I	A	-0.9176
111	H	A	-1.5177	mutated: VA111H
112	N	A	-1.7708
113	N	A	-2.4504
114	T	A	-2.0531
115	E	A	-2.9356
116	G	A	-2.6088
117	D	A	-2.6855
118	W	A	-1.3436
119	W	A	-1.2397
120	L	A	-0.5093
121	A	A	0.0000
122	H	A	-1.0201
123	S	A	0.0000
124	L	A	-0.2707
125	T	A	-0.7723
126	T	A	-0.8687
127	G	A	-0.8020
128	Q	A	-1.3986
129	T	A	-0.8236
130	G	A	0.0000
131	Y	A	-0.1076
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2859
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1540
140	S	A	-0.1759