Project name: SH3 1FMK domain [mutate: NA135G]

Chain sequence(s)	A: MVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135G
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0524158 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: -3.4656
• Maximal score value: 1.5029
• Average score: -0.7638
• Total score value: -46.5895

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
82	M	A	1.5029
83	V	A	1.3569
84	T	A	0.3914
85	T	A	-0.1645
86	F	A	0.0000
87	V	A	-0.9850
88	A	A	0.0000
89	L	A	-0.0611
90	Y	A	-0.5267
91	D	A	-2.8864
92	Y	A	0.0000
93	E	A	-3.0496
94	S	A	-2.2215
95	R	A	-2.8316
96	T	A	-2.0690
97	E	A	-2.2577
98	T	A	-1.0870
99	D	A	-0.9830
100	L	A	0.0000
101	S	A	-1.8184
102	F	A	0.0000
103	K	A	-3.4656
104	K	A	-2.7241
105	G	A	-1.7089
106	E	A	0.0000
107	R	A	-1.9711
108	L	A	0.0000
109	Q	A	0.0210
110	I	A	0.0000
111	V	A	1.3210
112	N	A	-0.8320
113	N	A	-1.6092
114	T	A	-1.8106
115	E	A	-2.7221
116	G	A	-2.3574
117	D	A	-2.1382
118	W	A	-0.3111
119	W	A	-0.0040
120	L	A	0.8888
121	A	A	0.0000
122	H	A	-0.6608
123	S	A	0.0000
124	L	A	0.4421
125	S	A	-0.2560
126	T	A	-0.6090
127	G	A	-0.7683
128	Q	A	-1.4030
129	T	A	-0.6316
130	G	A	0.0000
131	Y	A	0.7286
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.7123
135	G	A	-0.3061	mutated: NA135G
136	Y	A	0.3656
137	V	A	0.0000
138	A	A	-0.3404
139	P	A	-0.9810
140	S	A	-1.3182
141	D	A	-1.9180
142	S	A	-1.1073