Project name: SH3_T127Q

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127Q
Energy difference between WT (input) and mutated protein (by FoldX)	-0.102259 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: -3.1005
• Maximal score value: 1.7964
• Average score: -0.9797
• Total score value: -55.8408

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	0.5173
86	L	A	0.7932
87	F	A	0.9578
88	V	A	0.5011
89	A	A	0.0000
90	L	A	-0.1180
91	Y	A	-0.5465
92	D	A	-2.5259
93	Y	A	-1.9249
94	E	A	-2.6369
95	A	A	-2.6179
96	R	A	-2.9821
97	T	A	-2.6585
98	E	A	-3.1005
99	D	A	-3.0393
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1797
103	F	A	0.0000
104	H	A	-2.6560
105	K	A	-2.3364
106	G	A	-1.3503
107	E	A	0.0000
108	K	A	-0.6498
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
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	-1.1497
122	A	A	0.0000
123	R	A	-1.8776
124	S	A	0.0000
125	L	A	-0.2132
126	T	A	-0.9563
127	Q	A	-1.9083	mutated: TA127Q
128	G	A	-1.8874
129	E	A	-2.5576
130	T	A	-1.8101
131	G	A	-1.4805
132	Y	A	-0.8616
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	0.4158
140	P	A	0.7757
141	V	A	1.7964