Project name: SH3_T127C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA127C
Energy difference between WT (input) and mutated protein (by FoldX)	0.631182 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: -0.9165
• Total score value: -52.2409

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	0.9231
88	V	A	0.4298
89	A	A	0.0000
90	L	A	-0.1518
91	Y	A	-0.5754
92	D	A	-2.5627
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	-3.0427
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2167
103	F	A	0.0000
104	H	A	-2.7321
105	K	A	-2.4074
106	G	A	-1.4604
107	E	A	-1.2203
108	K	A	-0.5629
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	-1.5802
124	S	A	0.0000
125	L	A	0.2921
126	T	A	-0.0871
127	C	A	-0.0167	mutated: TA127C
128	G	A	-0.9603
129	E	A	-1.9745
130	T	A	-1.5701
131	G	A	-1.4939
132	Y	A	-0.8666
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