Project name: SH3_N113P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA113P
Energy difference between WT (input) and mutated protein (by FoldX)	0.310361 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: 1.5066
• Average score: -0.8192
• Total score value: -49.1534

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	-0.4512
82	S	A	-0.6807
83	H	A	-0.7912
84	M	A	0.2693
85	T	A	0.0000
86	F	A	-0.1011
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2439
99	D	A	-1.3262
100	L	A	0.0000
101	S	A	-1.9048
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0697
108	L	A	0.0000
109	Q	A	-0.2379
110	I	A	0.6912
111	V	A	1.5066
112	N	A	0.1384
113	P	A	-0.7626	mutated: NA113P
114	T	A	-1.2156
115	E	A	-2.5793
116	G	A	-2.3527
117	D	A	-2.5359
118	W	A	-1.1284
119	W	A	-0.2868
120	L	A	0.6714
121	A	A	0.0000
122	H	A	-0.3774
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	-0.4973
130	G	A	0.0000
131	Y	A	0.3317
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.1434
135	N	A	-1.2478
136	Y	A	-0.2040
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1488
140	S	A	-0.1759