Project name: SH3_E129C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA129C
Energy difference between WT (input) and mutated protein (by FoldX)	0.569864 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: -3.0677
• Maximal score value: 1.7964
• Average score: -0.8345
• Total score value: -47.565

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	0.9242
88	V	A	0.4320
89	A	A	0.0000
90	L	A	-0.1508
91	Y	A	-0.5745
92	D	A	-2.5598
93	Y	A	-1.9038
94	E	A	-2.6117
95	A	A	-2.5692
96	R	A	-2.9586
97	T	A	-2.6332
98	E	A	-3.0677
99	D	A	-3.0022
100	D	A	0.0000
101	L	A	-1.3801
102	S	A	-1.8359
103	F	A	0.0000
104	H	A	-2.7278
105	K	A	-2.4052
106	G	A	-1.4570
107	E	A	-1.3055
108	K	A	-0.6415
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
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	-1.1317
122	A	A	0.0000
123	R	A	-0.9208
124	S	A	0.0000
125	L	A	0.4483
126	T	A	-0.0817
127	T	A	-0.0362
128	G	A	-0.1776
129	C	A	0.2144	mutated: EA129C
130	T	A	-0.4620
131	G	A	-0.8849
132	Y	A	-0.8155
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