Project name: SH3_S102L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102L
Energy difference between WT (input) and mutated protein (by FoldX)	0.330034 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: -2.9083
• Maximal score value: 1.7964
• Average score: -0.8365
• Total score value: -47.6817

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	-0.1515
91	Y	A	-0.5760
92	D	A	-2.2645
93	Y	A	-1.4014
94	E	A	-1.9710
95	A	A	-1.9707
96	R	A	-2.7296
97	T	A	-2.4683
98	E	A	-2.9083
99	D	A	-2.8681
100	D	A	0.0000
101	L	A	0.0000
102	L	A	-0.5154	mutated: SA102L
103	F	A	0.0000
104	H	A	-2.3970
105	K	A	-2.4062
106	G	A	-1.4570
107	E	A	-1.3055
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	-1.5919
124	S	A	0.0000
125	L	A	0.1218
126	T	A	-0.4099
127	T	A	-0.6949
128	G	A	-1.1684
129	E	A	-1.6568
130	T	A	-1.3311
131	G	A	-1.1767
132	Y	A	-0.6544
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1256
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964