Project name: SH3_T130I

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA130I
Energy difference between WT (input) and mutated protein (by FoldX)	-1.3165 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: 1.7964
• Average score: -0.8787
• Total score value: -50.0868

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	0.5008
86	L	A	0.7642
87	F	A	0.9041
88	V	A	0.4209
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	-2.6257
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.1025
99	D	A	-2.9005
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.0950
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	-0.6597
109	F	A	0.0000
110	Q	A	-0.4297
111	I	A	0.0707
112	L	A	0.3469
113	N	A	-0.8528
114	S	A	-1.1579
115	S	A	-1.5850
116	E	A	-2.5577
117	G	A	-2.1323
118	D	A	-2.4426
119	W	A	-1.0988
120	W	A	-1.0396
121	E	A	-0.8852
122	A	A	0.0000
123	R	A	-1.2158
124	S	A	0.0000
125	L	A	0.1934
126	T	A	-0.4433
127	T	A	-0.6219
128	G	A	-0.9844
129	E	A	-1.6609
130	I	A	-0.5930	mutated: TA130I
131	G	A	-0.9518
132	Y	A	-0.6296
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9186
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7675
141	V	A	1.7964