Project name: SH3_E121M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.97149 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: -3.0951
• Maximal score value: 1.7964
• Average score: -0.8757
• Total score value: -49.9131

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	0.5147
86	L	A	0.7919
87	F	A	0.9207
88	V	A	0.4291
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	-2.6212
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0951
99	D	A	-2.9426
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1991
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	-0.6403
109	F	A	0.0000
110	Q	A	-0.4086
111	I	A	0.1445
112	L	A	0.4003
113	N	A	-0.7515
114	S	A	-1.0736
115	S	A	-1.5528
116	E	A	-2.4990
117	G	A	-2.0811
118	D	A	-2.3795
119	W	A	-0.9471
120	W	A	-0.7151
121	M	A	-0.4221	mutated: EA121M
122	A	A	0.0000
123	R	A	-1.4981
124	S	A	0.0000
125	L	A	0.0681
126	T	A	-0.4654
127	T	A	-0.8095
128	G	A	-1.3319
129	E	A	-2.2096
130	T	A	-1.4704
131	G	A	0.0000
132	Y	A	-0.5437
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8286
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7739
141	V	A	1.7964