Project name: SH3_E121R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.966347 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: -3.1399
• Maximal score value: 1.7964
• Average score: -1.0163
• Total score value: -57.9316

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	0.9238
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	-2.6345
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1108
99	D	A	-3.1399
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2141
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	-0.6426
109	F	A	0.0000
110	Q	A	-0.5785
111	I	A	-0.1998
112	L	A	0.0005
113	N	A	-1.0751
114	S	A	-1.3103
115	S	A	-1.6558
116	E	A	-2.6447
117	G	A	-2.1989
118	D	A	-2.5247
119	W	A	-1.2773
120	W	A	-1.3893
121	R	A	-1.8225	mutated: EA121R
122	A	A	0.0000
123	R	A	-1.8476
124	S	A	0.0000
125	L	A	0.0595
126	T	A	-0.4730
127	T	A	-0.8203
128	G	A	-1.3562
129	E	A	-2.2382
130	T	A	-1.8437
131	G	A	-1.7452
132	Y	A	-1.2054
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-1.0135
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964