Project name: SH3_S102Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.0127029 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: -2.9361
• Maximal score value: 1.7964
• Average score: -0.8077
• Total score value: -46.0364

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	0.9240
88	V	A	0.4317
89	A	A	0.0000
90	L	A	-0.1510
91	Y	A	-0.5746
92	D	A	-2.3040
93	Y	A	-1.4717
94	E	A	-2.0646
95	A	A	-2.0637
96	R	A	-2.7660
97	T	A	-2.4960
98	E	A	-2.9361
99	D	A	-2.8931
100	D	A	0.0000
101	L	A	0.0000
102	Y	A	-0.6582	mutated: SA102Y
103	F	A	0.0000
104	H	A	-2.4428
105	K	A	-2.4055
106	G	A	-1.4575
107	E	A	-1.3067
108	K	A	-0.6421
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	-1.3543
124	S	A	0.0000
125	L	A	0.2411
126	T	A	-0.2901
127	T	A	-0.4539
128	G	A	-0.8057
129	E	A	-0.9393
130	T	A	-0.9884
131	G	A	-1.0404
132	Y	A	-0.6849
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964