Project name: SH3_R123D

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA123D
Energy difference between WT (input) and mutated protein (by FoldX)	3.50691 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -3.1044
• Maximal score value: 1.7942
• Average score: -0.9149
• Total score value: -52.1491

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	0.4515
86	L	A	0.7468
87	F	A	0.8314
88	V	A	0.3757
89	A	A	0.0000
90	L	A	-0.1499
91	Y	A	-0.5734
92	D	A	-2.5605
93	Y	A	-1.9353
94	E	A	-2.6500
95	A	A	-2.6306
96	R	A	-2.9870
97	T	A	-2.6622
98	E	A	-3.1044
99	D	A	-3.0489
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2197
103	F	A	0.0000
104	H	A	-2.7276
105	K	A	-2.4029
106	G	A	-1.4537
107	E	A	-1.3279
108	K	A	-0.6244
109	F	A	0.0000
110	Q	A	-0.5110
111	I	A	0.1405
112	L	A	0.5201
113	N	A	-0.7879
114	S	A	-1.1164
115	S	A	-1.5640
116	E	A	-2.5617
117	G	A	-2.1354
118	D	A	-2.4460
119	W	A	-1.1061
120	W	A	-0.9424
121	E	A	-0.9394
122	A	A	0.0000
123	D	A	-0.9620	mutated: RA123D
124	S	A	0.0000
125	L	A	0.0437
126	T	A	-0.4408
127	T	A	-0.7649
128	G	A	-1.2547
129	E	A	-2.0366
130	T	A	-1.3656
131	G	A	-1.2928
132	Y	A	-0.7271
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9212
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4146
140	P	A	0.7415
141	V	A	1.7942