Project name: SH3_E121T

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA121T
Energy difference between WT (input) and mutated protein (by FoldX)	-0.0288121 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: -3.0953
• Maximal score value: 1.7964
• Average score: -0.9161
• Total score value: -52.219

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	-2.6181
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0953
99	D	A	-2.9680
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1983
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	-0.4255
111	I	A	0.1045
112	L	A	0.3655
113	N	A	-0.8144
114	S	A	-1.1165
115	S	A	-1.5782
116	E	A	-2.5353
117	G	A	-2.1089
118	D	A	-2.4034
119	W	A	-0.9978
120	W	A	-0.8177
121	T	A	-0.6429	mutated: EA121T
122	A	A	0.0000
123	R	A	-1.5748
124	S	A	0.0000
125	L	A	0.0590
126	T	A	-0.4730
127	T	A	-0.8209
128	G	A	-1.3572
129	E	A	-2.2400
130	T	A	-1.5494
131	G	A	-1.2851
132	Y	A	-0.6064
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8513
136	N	A	-1.1512
137	Y	A	-0.1249
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964