Project name: SH3_E121H

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.246836 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: -3.0923
• Maximal score value: 1.7964
• Average score: -0.9204
• Total score value: -52.4638

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	0.5183
86	L	A	0.7945
87	F	A	0.9250
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6182
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0923
99	D	A	-2.9978
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1957
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6420
109	F	A	0.0000
110	Q	A	-0.4888
111	I	A	-0.0191
112	L	A	0.1706
113	N	A	-0.9356
114	S	A	-1.1905
115	S	A	-1.6107
116	E	A	-2.5621
117	G	A	-2.1300
118	D	A	-2.4321
119	W	A	-1.0590
120	W	A	-0.9749
121	H	A	-0.9576	mutated: EA121H
122	A	A	0.0000
123	R	A	-1.6502
124	S	A	0.0000
125	L	A	0.0602
126	T	A	-0.4730
127	T	A	-0.8194
128	G	A	-1.3496
129	E	A	-2.2238
130	T	A	-1.6056
131	G	A	0.0000
132	Y	A	-0.7501
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8909
136	N	A	-1.1500
137	Y	A	-0.1241
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964