Project name: SH3_E121A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0828415 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: -3.0933
• Maximal score value: 1.7964
• Average score: -0.9094
• Total score value: -51.8347

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	0.5183
86	L	A	0.7945
87	F	A	0.9250
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	-2.6153
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0933
99	D	A	-2.9619
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1966
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	-0.6420
109	F	A	0.0000
110	Q	A	-0.4091
111	I	A	0.1400
112	L	A	0.4332
113	N	A	-0.7763
114	S	A	-1.0955
115	S	A	-1.5688
116	E	A	-2.5323
117	G	A	-2.1054
118	D	A	-2.3949
119	W	A	-0.9792
120	W	A	-0.7858
121	A	A	-0.5975	mutated: EA121A
122	A	A	0.0000
123	R	A	-1.5606
124	S	A	0.0000
125	L	A	0.0581
126	T	A	-0.4730
127	T	A	-0.8220
128	G	A	-1.3602
129	E	A	-2.2460
130	T	A	-1.5440
131	G	A	-1.2699
132	Y	A	-0.5679
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8429
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964