Project name: SH3_E129G

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129G
Energy difference between WT (input) and mutated protein (by FoldX)	0.782745 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: -3.0572
• Maximal score value: 1.7964
• Average score: -0.8772
• Total score value: -50.0011

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	0.5173
86	L	A	0.7932
87	F	A	0.9240
88	V	A	0.4317
89	A	A	0.0000
90	L	A	-0.1510
91	Y	A	-0.5746
92	D	A	-2.5600
93	Y	A	-1.8954
94	E	A	-2.6016
95	A	A	-2.5521
96	R	A	-2.9506
97	T	A	-2.6249
98	E	A	-3.0572
99	D	A	-2.9900
100	D	A	0.0000
101	L	A	-1.4689
102	S	A	-1.9017
103	F	A	0.0000
104	H	A	-2.7281
105	K	A	-2.4055
106	G	A	-1.4575
107	E	A	-1.3067
108	K	A	-0.6421
109	F	A	0.0000
110	Q	A	-0.5092
111	I	A	-0.0570
112	L	A	0.1428
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1254
122	A	A	0.0000
123	R	A	-1.1576
124	S	A	0.0000
125	L	A	0.3257
126	T	A	-0.2049
127	T	A	-0.2830
128	G	A	-0.5488
129	G	A	-0.5386	mutated: EA129G
130	T	A	-0.8269
131	G	A	-1.0400
132	Y	A	-0.8000
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964