Project name: SH3_D99C

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99C
Energy difference between WT (input) and mutated protein (by FoldX)	-0.252198 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: -3.4579
• Maximal score value: 1.2558
• Average score: -0.8925
• Total score value: -53.5475

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1074
87	V	A	-0.6264
88	A	A	0.0000
89	L	A	-0.3099
90	Y	A	-0.7190
91	D	A	-2.8071
92	Y	A	-1.9639
93	E	A	-2.7788
94	S	A	-2.0239
95	R	A	-2.7018
96	T	A	-2.0233
97	E	A	-2.2282
98	T	A	-1.0238
99	C	A	-0.8618	mutated: DA99C
100	L	A	0.0000
101	S	A	-1.7699
102	F	A	0.0000
103	K	A	-3.4579
104	K	A	-2.8486
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2489
110	I	A	0.4430
111	V	A	1.2558
112	N	A	-0.4091
113	N	A	-1.8027
114	T	A	-1.7284
115	E	A	-2.9278
116	G	A	-2.6000
117	D	A	-2.6648
118	W	A	-1.2501
119	W	A	-0.6175
120	L	A	0.5014
121	A	A	0.0000
122	H	A	-0.3770
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.3676
129	T	A	-0.4092
130	G	A	0.0000
131	Y	A	0.4563
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2788
135	N	A	-1.2578
136	Y	A	-0.2128
137	V	A	0.0000
138	A	A	-0.0270
139	P	A	-0.1505
140	S	A	-0.1759