Project name: SH3_D99P

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA99P
Energy difference between WT (input) and mutated protein (by FoldX)	-1.10451 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: -3.4589
• Maximal score value: 1.2231
• Average score: -0.9112
• Total score value: -54.6715

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	-0.1071
87	V	A	-0.6260
88	A	A	0.0000
89	L	A	-0.3094
90	Y	A	-0.7191
91	D	A	-2.8084
92	Y	A	-1.9838
93	E	A	-2.8025
94	S	A	-2.0755
95	R	A	-2.7259
96	T	A	-2.0667
97	E	A	-2.2622
98	T	A	-1.0831
99	P	A	-1.0321	mutated: DA99P
100	L	A	0.0000
101	S	A	-1.8131
102	F	A	0.0000
103	K	A	-3.4589
104	K	A	-2.8488
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2559
110	I	A	0.4190
111	V	A	1.2231
112	N	A	-0.4642
113	N	A	-1.8356
114	T	A	-1.7433
115	E	A	-2.9400
116	G	A	-2.6073
117	D	A	-2.6791
118	W	A	-1.3108
119	W	A	-0.6868
120	L	A	0.4135
121	A	A	0.0000
122	H	A	-0.3958
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	-1.3831
129	T	A	-0.4489
130	G	A	0.0000
131	Y	A	0.3097
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2942
135	N	A	-1.2582
136	Y	A	-0.2118
137	V	A	0.0000
138	A	A	-0.0264
139	P	A	-0.1505
140	S	A	-0.1759