Project name: SH3_N136Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.606404 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: -3.1028
• Maximal score value: 1.7964
• Average score: -0.8183
• Total score value: -46.6447

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	0.9362
88	V	A	0.4469
89	A	A	0.0000
90	L	A	0.2470
91	Y	A	-0.2883
92	D	A	-2.5433
93	Y	A	-1.9113
94	E	A	-2.6439
95	A	A	-2.6252
96	R	A	-2.9849
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2051
103	F	A	0.0000
104	H	A	-2.7279
105	K	A	-2.3923
106	G	A	-1.4587
107	E	A	-1.3082
108	K	A	-0.6429
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0552
112	L	A	0.1440
113	N	A	-0.8744
114	S	A	-1.1532
115	S	A	-1.5698
116	E	A	-2.5213
117	G	A	-2.0543
118	D	A	-1.9048
119	W	A	-0.6648
120	W	A	-0.7488
121	E	A	-1.1400
122	A	A	0.0000
123	R	A	-1.7149
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.6927
131	G	A	-1.4986
132	Y	A	-0.8614
133	I	A	0.0000
134	P	A	0.0000
135	S	A	0.3847
136	Y	A	1.4972	mutated: NA136Y
137	Y	A	1.2346
138	V	A	0.0000
139	A	A	0.9156
140	P	A	0.7757
141	V	A	1.7964