Project name: SH3_N135M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.925006 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: -3.4783
• Maximal score value: 1.2498
• Average score: -0.7795
• Total score value: -46.7691

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6194
88	A	A	0.0000
89	L	A	0.0436
90	Y	A	-0.4512
91	D	A	-2.8421
92	Y	A	-2.1011
93	E	A	-2.8821
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3233
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4783
104	K	A	-2.8520
105	G	A	-1.9579
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4374
111	V	A	1.2498
112	N	A	-0.4203
113	N	A	-1.8143
114	T	A	-1.7331
115	E	A	-2.9366
116	G	A	-2.3512
117	D	A	-2.2655
118	W	A	-1.0200
119	W	A	-0.4568
120	L	A	0.4045
121	A	A	0.0000
122	H	A	-0.3840
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2194
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.1462
135	M	A	1.0814	mutated: NA135M
136	Y	A	0.9254
137	V	A	0.0000
138	A	A	0.4114
139	P	A	-0.1505
140	S	A	-0.1759