Project name: SH3_N135E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	NA135E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.315154 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: -3.4768
• Maximal score value: 1.2498
• Average score: -0.9222
• Total score value: -55.3341

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	-0.1074
87	V	A	-0.6229
88	A	A	0.0000
89	L	A	-0.3888
90	Y	A	-0.7774
91	D	A	-2.8435
92	Y	A	-2.1040
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	-1.3230
100	L	A	0.0000
101	S	A	-1.9038
102	F	A	0.0000
103	K	A	-3.4768
104	K	A	-2.8534
105	G	A	-1.9568
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4370
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8145
114	T	A	-1.7328
115	E	A	-2.9365
116	G	A	-2.6694
117	D	A	-2.7836
118	W	A	-1.4221
119	W	A	-0.7551
120	L	A	0.4044
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	-1.5642
135	E	A	-1.8066	mutated: NA135E
136	Y	A	-0.4887
137	V	A	0.0000
138	A	A	-0.1289
139	P	A	-0.1505
140	S	A	-0.1759