Project name: SH3_H104R

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	HA104R
Energy difference between WT (input) and mutated protein (by FoldX)	-0.20303 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: -3.4855
• Maximal score value: 1.8054
• Average score: -1.001
• Total score value: -57.0557

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	0.9368
88	V	A	0.3937
89	A	A	0.0000
90	L	A	-0.2073
91	Y	A	-0.7068
92	D	A	-2.8761
93	Y	A	-2.1253
94	E	A	-2.7756
95	A	A	-2.6304
96	R	A	-2.9870
97	T	A	-2.6622
98	E	A	-3.1042
99	D	A	-3.0446
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.3896
103	F	A	0.0000
104	R	A	-3.4855	mutated: HA104R
105	K	A	-2.6318
106	G	A	-1.5173
107	E	A	-1.4658
108	K	A	-0.6965
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	0.0622
126	T	A	-0.5498
127	T	A	-0.8190
128	G	A	-1.3572
129	E	A	-2.2414
130	T	A	-1.6939
131	G	A	-1.5008
132	Y	A	-0.8688
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1051
138	V	A	0.0000
139	A	A	0.4248
140	P	A	0.7757
141	V	A	1.8054