Project name: SH3_S101L

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101L
Energy difference between WT (input) and mutated protein (by FoldX)	0.473761 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: -3.1744
• Maximal score value: 1.2498
• Average score: -0.8309
• Total score value: -49.8568

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	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.5893
92	Y	A	-1.6253
93	E	A	-2.2833
94	S	A	-1.6526
95	R	A	-2.5683
96	T	A	-1.9844
97	E	A	-2.3526
98	T	A	-1.0755
99	D	A	-0.9384
100	L	A	0.0000
101	L	A	-0.3652	mutated: SA101L
102	F	A	0.0000
103	K	A	-3.1744
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
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	-1.3408
119	W	A	-0.6963
120	L	A	0.4068
121	A	A	0.0000
122	H	A	-0.3320
123	S	A	0.0000
124	L	A	-0.2453
125	T	A	-0.7504
126	T	A	-0.6541
127	G	A	-0.7248
128	Q	A	-0.9829
129	T	A	-0.1836
130	G	A	0.0000
131	Y	A	0.4289
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	-0.1505
140	S	A	-0.1759