Project name: SH3_T126I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.142518 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: -3.2768
• Maximal score value: 1.2498
• Average score: -0.8137
• Total score value: -48.8195

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6157
88	A	A	0.0000
89	L	A	-0.3028
90	Y	A	-0.7213
91	D	A	-2.8265
92	Y	A	-2.0909
93	E	A	-2.8732
94	S	A	0.0000
95	R	A	-2.7840
96	T	A	-2.1543
97	E	A	-2.3526
98	T	A	-1.2416
99	D	A	-1.3136
100	L	A	0.0000
101	S	A	-1.7336
102	F	A	0.0000
103	K	A	-3.2768
104	K	A	-2.8317
105	G	A	-1.9452
106	E	A	0.0000
107	R	A	-1.8814
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.1624
123	S	A	0.0000
124	L	A	0.1489
125	T	A	-0.0991
126	I	A	0.5063	mutated: TA126I
127	G	A	-0.1102
128	Q	A	-0.8758
129	T	A	-0.2595
130	G	A	0.0000
131	Y	A	0.2194
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759