Project name: SH3_N136F

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA136F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.841862 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: -3.1027
• Maximal score value: 2.038
• Average score: -0.8049
• Total score value: -45.8807

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	0.9211
88	V	A	0.4278
89	A	A	0.0000
90	L	A	0.2973
91	Y	A	-0.2570
92	D	A	-2.5638
93	Y	A	-1.9363
94	E	A	-2.6456
95	A	A	-2.6260
96	R	A	-2.9853
97	T	A	-2.6608
98	E	A	-3.1027
99	D	A	-3.0431
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2061
103	F	A	0.0000
104	H	A	-2.7284
105	K	A	-2.4091
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5085
111	I	A	-0.0555
112	L	A	0.1442
113	N	A	-0.8925
114	S	A	-1.1835
115	S	A	-1.5897
116	E	A	-2.5497
117	G	A	-2.1044
118	D	A	-1.8782
119	W	A	-0.7024
120	W	A	-0.7422
121	E	A	-1.1675
122	A	A	0.0000
123	R	A	-1.7148
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	-1.6925
131	G	A	-1.5097
132	Y	A	-0.8947
133	I	A	0.0000
134	P	A	0.0000
135	S	A	0.5968
136	F	A	2.0380	mutated: NA136F
137	Y	A	1.3982
138	V	A	0.0000
139	A	A	1.0036
140	P	A	0.7757
141	V	A	1.7964