Project name: SH3_R123L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123L
Energy difference between WT (input) and mutated protein (by FoldX)	-0.255867 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: -3.1032
• Maximal score value: 1.795
• Average score: -0.8514
• Total score value: -48.5324

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	0.4963
86	L	A	0.8904
87	F	A	0.8825
88	V	A	0.4006
89	A	A	0.0000
90	L	A	-0.1516
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6261
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1032
99	D	A	-3.0563
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2095
103	F	A	0.0000
104	H	A	-2.7287
105	K	A	-2.4065
106	G	A	-1.4592
107	E	A	-1.3402
108	K	A	-0.4916
109	F	A	0.0000
110	Q	A	-0.0871
111	I	A	0.3731
112	L	A	0.6691
113	N	A	-0.7884
114	S	A	-1.1326
115	S	A	-1.5711
116	E	A	-2.5693
117	G	A	-2.1411
118	D	A	-2.4522
119	W	A	-1.1192
120	W	A	-0.8845
121	E	A	-0.8444
122	A	A	0.0000
123	L	A	-0.2455	mutated: RA123L
124	S	A	0.0000
125	L	A	0.2770
126	T	A	-0.3247
127	T	A	-0.6095
128	G	A	-0.9199
129	E	A	-1.7836
130	T	A	-1.0576
131	G	A	-1.1637
132	Y	A	-0.6676
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9291
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4150
140	P	A	0.7647
141	V	A	1.7950