Project name: SH3_V111D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111D
Energy difference between WT (input) and mutated protein (by FoldX)	0.505404 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: 0.2587
• Average score: -1.1225
• Total score value: -67.3513

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	-0.8918
82	S	A	-0.6889
83	H	A	-0.7958
84	M	A	0.2587
85	T	A	0.0000
86	F	A	-0.1148
87	V	A	-0.6277
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	-1.2475
99	D	A	-1.3315
100	L	A	0.0000
101	S	A	-1.9051
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	-2.0828
108	L	A	0.0000
109	Q	A	-1.2752
110	I	A	-1.3262
111	D	A	-2.3343	mutated: VA111D
112	N	A	-2.1642
113	N	A	-2.6355
114	T	A	-2.1460
115	E	A	-2.9373
116	G	A	-2.6073
117	D	A	-2.6855
118	W	A	-1.3493
119	W	A	-1.4134
120	L	A	-0.8154
121	A	A	0.0000
122	H	A	-1.2638
123	S	A	0.0000
124	L	A	-0.2921
125	T	A	-0.7825
126	T	A	-0.8821
127	G	A	-0.8246
128	Q	A	-1.4211
129	T	A	-0.9622
130	G	A	0.0000
131	Y	A	-0.2227
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2900
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1548
140	S	A	-0.1759