Project name: SH3_S102R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102R
Energy difference between WT (input) and mutated protein (by FoldX)	0.109062 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: -3.9525
• Maximal score value: 1.7964
• Average score: -1.0666
• Total score value: -60.7937

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1521
91	Y	A	-0.5773
92	D	A	-2.8803
93	Y	A	-2.5089
94	E	A	-3.3643
95	A	A	-3.3150
96	R	A	-3.2531
97	T	A	-2.8621
98	E	A	-3.3073
99	D	A	-3.2258
100	D	A	0.0000
101	L	A	0.0000
102	R	A	-3.9525	mutated: SA102R
103	F	A	0.0000
104	H	A	-3.0828
105	K	A	-2.4071
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1503
122	A	A	0.0000
123	R	A	-1.7089
124	S	A	0.0000
125	L	A	0.0613
126	T	A	-0.4724
127	T	A	-0.8184
128	G	A	-1.3534
129	E	A	-2.4404
130	T	A	-1.8590
131	G	A	-1.7400
132	Y	A	-1.0905
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1264
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964