Project name: SH3_S102E

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102E
Energy difference between WT (input) and mutated protein (by FoldX)	0.940463 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: -3.8987
• Maximal score value: 1.7964
• Average score: -1.0513
• Total score value: -59.9251

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	-0.1430
91	Y	A	-0.5555
92	D	A	-2.8313
93	Y	A	-2.4814
94	E	A	-3.3460
95	A	A	-3.3032
96	R	A	-3.2506
97	T	A	-2.8599
98	E	A	-3.3048
99	D	A	-3.2255
100	D	A	0.0000
101	L	A	0.0000
102	E	A	-3.8987	mutated: SA102E
103	F	A	0.0000
104	H	A	-3.0578
105	K	A	-2.3895
106	G	A	-1.4500
107	E	A	-1.2993
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1536
122	A	A	0.0000
123	R	A	-1.6500
124	S	A	0.0000
125	L	A	0.0926
126	T	A	-0.4393
127	T	A	-0.7539
128	G	A	-1.2572
129	E	A	-2.2393
130	T	A	-1.7703
131	G	A	-1.6973
132	Y	A	-1.0907
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1199
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964