Project name: SH3_S102M

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA102M
Energy difference between WT (input) and mutated protein (by FoldX)	0.152478 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: -2.9662
• Maximal score value: 1.7964
• Average score: -0.8897
• Total score value: -50.7107

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1528
91	Y	A	-0.5784
92	D	A	-2.3580
93	Y	A	-1.5698
94	E	A	-2.1768
95	A	A	-2.1668
96	R	A	-2.8059
97	T	A	-2.5252
98	E	A	-2.9662
99	D	A	-2.9202
100	D	A	0.0000
101	L	A	0.0000
102	M	A	-1.0576	mutated: SA102M
103	F	A	0.0000
104	H	A	-2.4995
105	K	A	-2.4083
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.5091
111	I	A	-0.0568
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7155
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3572
129	E	A	-2.1034
130	T	A	-1.5733
131	G	A	-1.3348
132	Y	A	-0.7175
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1267
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964