Project name: SH3_T126I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.917359 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: -3.1028
• Maximal score value: 1.8036
• Average score: -0.8425
• Total score value: -48.0222

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	0.7900
87	F	A	0.9322
88	V	A	0.4507
89	A	A	0.0000
90	L	A	-0.1413
91	Y	A	-0.5707
92	D	A	-2.5555
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6259
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	-2.2059
103	F	A	0.0000
104	H	A	-2.4939
105	K	A	-2.3892
106	G	A	-1.2146
107	E	A	-0.7636
108	K	A	-0.1528
109	F	A	0.0000
110	Q	A	-0.5209
111	I	A	-0.0522
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	-1.4391
124	S	A	0.0000
125	L	A	1.0172
126	I	A	1.5793	mutated: TA126I
127	T	A	0.1641
128	G	A	-0.8272
129	E	A	-1.9201
130	T	A	-1.7035
131	G	A	-1.4991
132	Y	A	-0.8673
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	0.4210
140	P	A	0.7808
141	V	A	1.8036