Project name: SH3_T126L

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126L
Energy difference between WT (input) and mutated protein (by FoldX)	-1.24988 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: -3.1042
• Maximal score value: 1.8119
• Average score: -0.8389
• Total score value: -47.8168

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	0.5161
86	L	A	0.7994
87	F	A	0.9765
88	V	A	0.5353
89	A	A	0.0000
90	L	A	-0.1015
91	Y	A	-0.5402
92	D	A	-2.5267
93	Y	A	-1.9353
94	E	A	-2.6500
95	A	A	-2.6306
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	-2.2177
103	F	A	0.0000
104	H	A	-2.4744
105	K	A	-2.3094
106	G	A	-1.1299
107	E	A	0.0000
108	K	A	-0.1190
109	F	A	0.0000
110	Q	A	-0.5110
111	I	A	-0.0489
112	L	A	0.1430
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	-1.1529
122	A	A	0.0000
123	R	A	-1.4963
124	S	A	0.0000
125	L	A	0.8514
126	L	A	1.1791	mutated: TA126L
127	T	A	-0.0305
128	G	A	-0.9474
129	E	A	-1.9939
130	T	A	-1.7030
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	-0.1243
138	V	A	0.0000
139	A	A	0.4278
140	P	A	0.7845
141	V	A	1.8119