Project name: SH3_E116R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116R
Energy difference between WT (input) and mutated protein (by FoldX)	0.191867 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: -3.0979
• Maximal score value: 1.7964
• Average score: -0.9641
• Total score value: -54.9539

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	-2.6206
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0979
99	D	A	-3.0285
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2007
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	-0.5175
111	I	A	-0.0763
112	L	A	0.1028
113	N	A	-0.9967
114	S	A	-1.2328
115	S	A	-1.6389
116	R	A	-2.6060	mutated: EA116R
117	G	A	-2.1538
118	D	A	-2.4550
119	W	A	-1.1122
120	W	A	-1.0717
121	E	A	-1.1502
122	A	A	0.0000
123	R	A	-1.7023
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2402
130	T	A	-1.6764
131	G	A	-1.4689
132	Y	A	-0.8305
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9129
136	N	A	-1.1519
137	Y	A	-0.1254
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964