Project name: SH3_L124R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LA124R
Energy difference between WT (input) and mutated protein (by FoldX)	0.765082 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: -3.4838
• Maximal score value: 1.261
• Average score: -1.0353
• Total score value: -62.1202

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	-0.4501
82	S	A	-0.6814
83	H	A	-0.7904
84	M	A	0.2683
85	T	A	0.0000
86	F	A	-0.1025
87	V	A	-0.6213
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
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	-1.3223
100	L	A	0.0000
101	S	A	-1.9029
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.9079
108	L	A	0.0000
109	Q	A	-0.8115
110	I	A	0.4505
111	V	A	1.2610
112	N	A	-0.4150
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6938
120	L	A	0.4145
121	A	A	0.0000
122	H	A	-1.0383
123	S	A	0.0000
124	R	A	-2.9901	mutated: LA124R
125	T	A	-2.0986
126	T	A	-1.6652
127	G	A	-1.6511
128	Q	A	-1.8627
129	T	A	-0.8041
130	G	A	0.0000
131	Y	A	0.2258
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1497
140	S	A	-0.1759