Project name: SH3_H104K

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA104K
Energy difference between WT (input) and mutated protein (by FoldX)	0.32184 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: -3.3174
• Maximal score value: 1.7837
• Average score: -0.9893
• Total score value: -56.3878

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	0.5254
86	L	A	0.8108
87	F	A	0.9066
88	V	A	0.2904
89	A	A	0.0000
90	L	A	-0.2236
91	Y	A	-0.6246
92	D	A	-2.5976
93	Y	A	-1.9724
94	E	A	-2.6857
95	A	A	-2.5970
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1028
99	D	A	-3.0434
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2981
103	F	A	0.0000
104	K	A	-3.3174	mutated: HA104K
105	K	A	-2.6569
106	G	A	-1.6246
107	E	A	-1.4940
108	K	A	-0.7455
109	F	A	0.0000
110	Q	A	-0.4991
111	I	A	-0.0519
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	-1.7014
124	S	A	0.0000
125	L	A	0.1061
126	T	A	-0.5218
127	T	A	-0.8056
128	G	A	-1.3409
129	E	A	-2.2315
130	T	A	-1.6868
131	G	A	-1.4992
132	Y	A	-0.8673
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1511
137	Y	A	-0.0937
138	V	A	0.0000
139	A	A	0.3954
140	P	A	0.7647
141	V	A	1.7837