Project name: SH3_T127M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.286784 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: -3.1008
• Maximal score value: 1.7964
• Average score: -0.8923
• Total score value: -50.8587

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	0.9302
88	V	A	0.4444
89	A	A	0.0000
90	L	A	-0.1449
91	Y	A	-0.5695
92	D	A	-2.5510
93	Y	A	-1.9258
94	E	A	-2.6381
95	A	A	-2.6190
96	R	A	-2.9825
97	T	A	-2.6588
98	E	A	-3.1008
99	D	A	-3.0396
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1836
103	F	A	0.0000
104	H	A	-2.7118
105	K	A	-2.3928
106	G	A	-1.4378
107	E	A	-1.1367
108	K	A	-0.5074
109	F	A	0.0000
110	Q	A	-0.5073
111	I	A	-0.0551
112	L	A	0.1449
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	-1.1503
122	A	A	0.0000
123	R	A	-1.5197
124	S	A	0.0000
125	L	A	0.3995
126	T	A	0.0841
127	M	A	0.3196	mutated: TA127M
128	G	A	-0.7889
129	E	A	-1.8386
130	T	A	-1.5094
131	G	A	-1.4833
132	Y	A	-0.8627
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