Project name: SH3_N113M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113M
Energy difference between WT (input) and mutated protein (by FoldX)	-1.30065 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: -3.4838
• Maximal score value: 1.7155
• Average score: -0.7575
• Total score value: -45.4479

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	-0.4574
82	S	A	-0.6884
83	H	A	-0.7912
84	M	A	0.2145
85	T	A	0.0000
86	F	A	0.0000
87	V	A	-0.7219
88	A	A	0.0000
89	L	A	-0.3370
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3256
100	L	A	0.0000
101	S	A	-1.9034
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9867
106	E	A	0.0000
107	R	A	-2.1348
108	L	A	0.0000
109	Q	A	-0.3266
110	I	A	0.8194
111	V	A	1.7155
112	N	A	0.6067
113	M	A	0.3205	mutated: NA113M
114	T	A	-0.6825
115	E	A	-2.2146
116	G	A	-2.0891
117	D	A	-2.3767
118	W	A	-0.9217
119	W	A	0.0832
120	L	A	0.8933
121	A	A	0.0000
122	H	A	-0.3997
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	-0.5005
130	G	A	0.0000
131	Y	A	0.4395
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.0020
135	N	A	-1.2509
136	Y	A	-0.2258
137	V	A	0.0000
138	A	A	-0.0883
139	P	A	-0.2458
140	S	A	-0.2496