Project name: SH3_D99C

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.187087 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: -2.7282
• Maximal score value: 1.7964
• Average score: -0.8263
• Total score value: -47.0997

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	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.2096
96	R	A	-2.5689
97	T	A	-1.8538
98	E	A	-1.8925
99	C	A	-0.5691	mutated: DA99C
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-1.9429
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5094
111	I	A	-0.0570
112	L	A	0.1423
113	N	A	-0.8901
114	S	A	-1.1806
115	S	A	-1.5973
116	E	A	-2.5609
117	G	A	-2.1350
118	D	A	-2.4454
119	W	A	-1.1042
120	W	A	-1.0561
121	E	A	-0.8642
122	A	A	0.0000
123	R	A	-1.7149
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.2401
130	T	A	-1.3659
131	G	A	-0.7499
132	Y	A	-0.1948
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9207
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