Project name: SH3_H104N

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA104N
Energy difference between WT (input) and mutated protein (by FoldX)	0.73964 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: -3.1029
• Maximal score value: 1.7964
• Average score: -0.9428
• Total score value: -53.7376

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9578
88	V	A	0.4690
89	A	A	0.0000
90	L	A	-0.1611
91	Y	A	-0.6175
92	D	A	-2.6575
93	Y	A	-2.0029
94	E	A	-2.6871
95	A	A	-2.6261
96	R	A	-2.9853
97	T	A	-2.6609
98	E	A	-3.1029
99	D	A	-3.0435
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2636
103	F	A	0.0000
104	N	A	-2.9431	mutated: HA104N
105	K	A	-2.4751
106	G	A	-1.4254
107	E	A	0.0000
108	K	A	-0.5691
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.1055
126	T	A	-0.4482
127	T	A	-0.7951
128	G	A	-1.3572
129	E	A	-2.2402
130	T	A	-1.6927
131	G	A	-1.4993
132	Y	A	-0.8674
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964