Project name: SH3_S140M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA140M
Energy difference between WT (input) and mutated protein (by FoldX)	-2.1174 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: -3.4613
• Maximal score value: 1.2508
• Average score: -0.8247
• Total score value: -49.4824

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	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.5319
85	T	A	0.0000
86	F	A	0.3846
87	V	A	-0.2648
88	A	A	0.0000
89	L	A	-0.3489
90	Y	A	-0.7535
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	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9035
102	F	A	0.0000
103	K	A	-3.4613
104	K	A	-2.8439
105	G	A	-1.9212
106	E	A	0.0000
107	R	A	-1.5767
108	L	A	0.0000
109	Q	A	-0.1881
110	I	A	0.4727
111	V	A	1.2508
112	N	A	-0.4196
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	-0.6978
120	L	A	0.4052
121	A	A	0.0000
122	H	A	-0.3292
123	S	A	0.0000
124	L	A	-0.1556
125	T	A	-0.6690
126	T	A	-0.8266
127	G	A	-0.8105
128	Q	A	-1.4084
129	T	A	-0.4922
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2246
137	V	A	0.0000
138	A	A	0.2488
139	P	A	0.4679
140	M	A	1.1020	mutated: SA140M