Project name: SH3_T130M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.830631 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: -3.1025
• Maximal score value: 1.7911
• Average score: -0.922
• Total score value: -52.5545

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	0.4747
86	L	A	0.6866
87	F	A	0.8507
88	V	A	0.3799
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5597
93	Y	A	-1.9312
94	E	A	-2.6448
95	A	A	-2.6253
96	R	A	-2.9850
97	T	A	-2.6607
98	E	A	-3.1025
99	D	A	-2.9406
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1312
103	F	A	0.0000
104	H	A	-2.7280
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3553
108	K	A	-0.7565
109	F	A	0.0000
110	Q	A	-0.6160
111	I	A	-0.0084
112	L	A	0.2731
113	N	A	-0.8511
114	S	A	-1.1467
115	S	A	-1.5809
116	E	A	-2.5483
117	G	A	-2.1252
118	D	A	-2.4346
119	W	A	-1.0819
120	W	A	-1.0174
121	E	A	-0.9148
122	A	A	0.0000
123	R	A	-1.4577
124	S	A	0.0000
125	L	A	-0.0987
126	T	A	-0.5576
127	T	A	-0.7390
128	G	A	-1.1618
129	E	A	-1.8738
130	M	A	-0.9823	mutated: TA130M
131	G	A	-1.1093
132	Y	A	-0.6776
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9084
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4133
140	P	A	0.7530
141	V	A	1.7911