Project name: SH3_R123I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.222149 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: -3.1029
• Maximal score value: 1.7964
• Average score: -0.8546
• Total score value: -48.7129

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	0.4866
86	L	A	0.9011
87	F	A	0.8860
88	V	A	0.4108
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5597
93	Y	A	-1.9312
94	E	A	-2.6448
95	A	A	-2.6256
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1029
99	D	A	-3.0494
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2052
103	F	A	0.0000
104	H	A	-2.7280
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3102
108	K	A	-0.4410
109	F	A	0.0000
110	Q	A	-0.1350
111	I	A	0.2897
112	L	A	0.5005
113	N	A	-0.8756
114	S	A	-1.1680
115	S	A	-1.5902
116	E	A	-2.5654
117	G	A	-2.1380
118	D	A	-2.4486
119	W	A	-1.1115
120	W	A	-0.9016
121	E	A	-0.8571
122	A	A	0.0000
123	I	A	-0.1987	mutated: RA123I
124	S	A	0.0000
125	L	A	0.3854
126	T	A	-0.2809
127	T	A	-0.6200
128	G	A	-0.9904
129	E	A	-1.7832
130	T	A	-1.0370
131	G	A	-1.1549
132	Y	A	-0.6564
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9249
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7605
141	V	A	1.7964