Project name: SH3_R107D

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107D
Energy difference between WT (input) and mutated protein (by FoldX)	0.504973 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: -3.439
• Maximal score value: 1.2343
• Average score: -0.869
• Total score value: -52.14

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	-0.4577
82	S	A	-0.6919
83	H	A	-0.7995
84	M	A	0.2500
85	T	A	-0.1622
86	F	A	-0.0283
87	V	A	-0.5242
88	A	A	0.0000
89	L	A	-0.3185
90	Y	A	-0.7385
91	D	A	-2.8504
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9032
102	F	A	0.0000
103	K	A	-3.4390
104	K	A	-2.8102
105	G	A	-1.8590
106	E	A	0.0000
107	D	A	-1.6408	mutated: RA107D
108	L	A	0.0000
109	Q	A	-0.1832
110	I	A	0.4481
111	V	A	1.2343
112	N	A	-0.4268
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.6994
120	L	A	0.3962
121	A	A	0.0000
122	H	A	-0.3080
123	S	A	0.0000
124	L	A	0.0352
125	T	A	-0.5468
126	T	A	-0.7542
127	G	A	-0.7356
128	Q	A	-1.3710
129	T	A	-0.4780
130	G	A	0.0000
131	Y	A	0.2177
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2097
137	V	A	0.0000
138	A	A	-0.0359
139	P	A	-0.1268
140	S	A	-0.1309