Project name: SH3_S114D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA114D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.417095 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: -3.1028
• Maximal score value: 1.7964
• Average score: -1.0964
• Total score value: -62.4926

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
85	T	A	0.5140
86	L	A	0.7889
87	F	A	0.9193
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2059
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6447
109	F	A	0.0000
110	Q	A	-0.5189
111	I	A	-0.4390
112	L	A	-0.2391
113	N	A	-1.7108
114	D	A	-2.8662	mutated: SA114D
115	S	A	-2.4281
116	E	A	-3.0978
117	G	A	-2.6271
118	D	A	-2.8852
119	W	A	-1.5726
120	W	A	-1.7659
121	E	A	-1.5691
122	A	A	0.0000
123	R	A	-1.7205
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6949
131	G	A	-1.5143
132	Y	A	-1.0786
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.2351
136	N	A	-1.1694
137	Y	A	-0.1375
138	V	A	0.0000
139	A	A	0.4149
140	P	A	0.7757
141	V	A	1.7964