Project name: SH3_T127A

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127A
Energy difference between WT (input) and mutated protein (by FoldX)	0.306223 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: -3.1043
• Maximal score value: 1.7964
• Average score: -0.9551
• Total score value: -54.4388

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	0.9203
88	V	A	0.4241
89	A	A	0.0000
90	L	A	-0.1546
91	Y	A	-0.5777
92	D	A	-2.5653
93	Y	A	-1.9355
94	E	A	-2.6503
95	A	A	-2.6308
96	R	A	-2.9871
97	T	A	-2.6623
98	E	A	-3.1043
99	D	A	-3.0440
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2177
103	F	A	0.0000
104	H	A	-2.7378
105	K	A	-2.4131
106	G	A	-1.4693
107	E	A	-1.3162
108	K	A	-0.6407
109	F	A	0.0000
110	Q	A	-0.5084
111	I	A	-0.0562
112	L	A	0.1437
113	N	A	-0.8883
114	S	A	-1.1799
115	S	A	-1.5966
116	E	A	-2.5603
117	G	A	-2.1347
118	D	A	-2.4456
119	W	A	-1.1053
120	W	A	-1.0569
121	E	A	-1.1524
122	A	A	0.0000
123	R	A	-1.6924
124	S	A	0.0000
125	L	A	0.0924
126	T	A	-0.4163
127	A	A	-0.6932	mutated: TA127A
128	G	A	-1.2925
129	E	A	-2.1970
130	T	A	-1.6710
131	G	A	-1.4986
132	Y	A	-0.8686
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9214
136	N	A	-1.1508
137	Y	A	-0.1246
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964